#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfq s ARG 40 N 0.00 1.64 0.60 1.43 0.52 -1.26 -5.04 118.95 116.83 1pfq s ARG 40 Ca 0.00 0.08 -0.17 0.00 -0.52 0.00 0.00 55.73 55.12 1pfq s ARG 40 Cb 0.00 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 1pfq s ARG 40 CO 0.00 -1.82 1.12 -1.59 0.02 0.00 0.00 175.30 173.03 1pfq s LYS 41 N -5.56 3.10 0.47 3.54 -2.85 -1.24 -4.71 119.74 112.49 1pfq s LYS 41 Ca 0.64 1.49 0.04 0.00 -1.00 0.00 0.00 55.97 57.13 1pfq s LYS 41 Cb -0.11 -1.98 0.02 0.00 -2.06 0.00 0.00 37.83 33.70 1pfq s LYS 41 CO 0.50 -1.03 0.66 0.95 0.10 0.00 0.00 175.35 176.53 1pfq s THR 42 N -2.07 3.11 -0.63 3.79 -4.23 -1.26 -0.38 115.64 113.97 1pfq s THR 42 Ca 0.70 -0.79 -0.27 0.00 -1.18 0.00 0.00 61.69 60.15 1pfq s THR 42 Cb -0.22 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.55 1pfq s THR 42 CO 0.34 -0.06 1.17 -0.47 -0.54 0.00 0.00 174.62 175.06 1pfq s TYR 43 N -2.53 2.54 0.55 3.99 5.04 -1.26 -4.80 117.35 120.88 1pfq s TYR 43 Ca 0.54 0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 55.33 1pfq s TYR 43 Cb -0.10 -4.47 0.03 0.00 0.35 0.00 0.00 41.96 37.76 1pfq s TYR 43 CO 0.36 -1.70 0.79 0.95 -1.34 0.00 0.00 175.55 174.62 1pfq s THR 44 N 4.98 2.99 0.31 4.34 -4.23 -1.26 -4.08 115.64 118.69 1pfq s THR 44 Ca 0.38 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1pfq s THR 44 Cb -0.09 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.89 1pfq s THR 44 CO 0.21 -0.11 1.93 0.25 -0.54 0.00 0.00 174.62 176.35 1pfq h LEU 45 N 0.03 0.90 -0.66 4.79 5.85 -1.95 -2.00 115.31 122.28 1pfq h LEU 45 Ca -0.44 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1pfq h LEU 45 Cb 1.29 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1pfq h LEU 45 CO 0.55 0.60 0.12 0.74 -0.34 0.00 0.00 178.44 180.11 1pfq h THR 46 N 1.03 1.26 -1.01 1.05 2.02 -1.98 -1.10 112.91 114.19 1pfq h THR 46 Ca 0.36 -1.01 0.12 0.00 0.77 0.00 0.00 66.41 66.65 1pfq h THR 46 Cb 0.12 0.65 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 1pfq h THR 46 CO -0.12 0.38 0.63 0.44 0.37 0.00 0.00 175.52 177.22 1pfq h ASP 47 N 1.00 0.92 0.05 4.18 3.45 -1.75 0.32 116.42 124.60 1pfq h ASP 47 Ca 0.20 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.71 1pfq h ASP 47 Cb 0.42 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1pfq h ASP 47 CO 0.01 0.48 -0.03 0.22 -1.57 0.00 0.00 179.24 178.36 1pfq h TYR 48 N 0.99 -0.07 0.00 4.55 -0.00 -1.11 -1.92 116.97 119.42 1pfq h TYR 48 Ca 0.50 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 59.13 1pfq h TYR 48 Cb 0.51 0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.25 1pfq h TYR 48 CO -0.00 0.30 -0.46 -0.07 -0.00 0.00 0.00 178.16 177.93 1pfq h LEU 49 N -0.44 0.00 -2.44 2.82 3.38 -0.77 -2.99 115.31 114.88 1pfq h LEU 49 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pfq h LEU 49 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1pfq h LEU 49 CO 0.01 0.46 0.00 0.29 0.09 0.00 0.00 178.44 179.29 1pfq n LYS 50 N -3.94 2.42 -3.89 1.13 5.02 0.11 -4.98 118.16 114.03 1pfq n LYS 50 Ca -0.02 -2.21 -0.27 0.00 -2.02 0.00 0.00 58.31 53.80 1pfq n LYS 50 Cb 0.49 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 34.06 1pfq n LYS 50 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pfq n ASN 51 N 1.25 -2.32 -0.25 4.39 3.02 -0.80 -4.86 115.26 115.69 1pfq n ASN 51 Ca 0.18 -0.87 -0.02 0.00 -0.03 0.00 0.00 54.58 53.83 1pfq n ASN 51 Cb 0.54 -3.62 0.09 0.00 -0.61 0.00 0.00 39.78 36.18 1pfq n ASN 51 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1pfq h THR 52 N -1.89 1.06 -3.50 3.41 2.02 -1.65 -3.35 112.91 109.00 1pfq h THR 52 Ca -0.60 -0.28 -0.70 0.00 0.77 0.00 0.00 66.41 65.59 1pfq h THR 52 Cb 1.37 0.16 -0.34 0.00 -1.74 0.00 0.00 68.15 67.60 1pfq h THR 52 CO 0.64 0.15 -0.41 -0.31 0.37 0.00 0.00 175.52 175.96 1pfq s TYR 53 N -6.10 3.49 -0.03 3.16 2.02 -1.26 -5.07 117.35 113.56 1pfq s TYR 53 Ca -0.13 -2.45 -0.19 0.00 -0.37 0.00 0.00 57.07 53.93 1pfq s TYR 53 Cb 0.16 -3.29 -0.05 0.00 -0.40 0.00 0.00 41.96 38.38 1pfq s TYR 53 CO 0.77 -0.92 0.54 0.50 -1.57 0.00 0.00 175.55 174.87 1pfq s ARG 54 N 0.58 4.26 0.04 -0.62 3.52 -1.26 -5.04 118.95 120.43 1pfq s ARG 54 Ca 0.12 0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 56.04 1pfq s ARG 54 Cb -0.21 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.77 1pfq s ARG 54 CO -0.04 0.38 1.37 -0.51 -0.81 0.00 0.00 175.30 175.70 1pfq s LEU 55 N -0.17 4.34 0.06 -0.88 1.02 -1.26 -4.84 118.68 116.95 1pfq s LEU 55 Ca 0.29 2.16 -0.23 0.00 0.02 0.00 0.00 54.13 56.36 1pfq s LEU 55 Cb -0.17 -3.57 -0.06 0.00 0.02 0.00 0.00 46.19 42.41 1pfq s LEU 55 CO 0.15 -0.67 0.69 -0.54 0.02 0.00 0.00 176.35 176.00 1pfq s LYS 56 N 1.90 4.42 0.53 1.70 1.02 -1.26 -5.08 119.74 122.96 1pfq s LYS 56 Ca 0.63 0.95 0.07 0.00 0.02 0.00 0.00 55.97 57.64 1pfq s LYS 56 Cb -0.33 -3.32 0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1pfq s LYS 56 CO 0.28 0.41 0.54 -0.51 -0.92 0.00 0.00 175.35 175.15 1pfq s LEU 57 N -0.45 3.00 -0.43 3.17 1.43 -1.26 -4.91 118.68 119.22 1pfq s LEU 57 Ca 0.35 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1pfq s LEU 57 Cb -0.20 -1.55 0.16 0.00 0.03 0.00 0.00 46.19 44.63 1pfq s LEU 57 CO 0.21 -1.09 0.31 -0.47 0.23 0.00 0.00 176.35 175.54 1pfq s TYR 58 N -2.67 1.38 -0.40 0.29 5.04 -1.26 -4.98 117.35 114.75 1pfq s TYR 58 Ca 0.47 -2.27 -0.22 0.00 -2.44 0.00 0.00 57.07 52.62 1pfq s TYR 58 Cb -0.04 -1.24 0.01 0.00 0.35 0.00 0.00 41.96 41.05 1pfq s TYR 58 CO 0.29 -0.79 0.69 -1.12 -1.34 0.00 0.00 175.55 173.28 1pfq s SER 59 N 0.20 6.41 0.27 4.32 0.01 -1.26 -5.04 113.70 118.62 1pfq s SER 59 Ca 0.26 -0.01 0.12 0.00 1.31 0.00 0.00 55.95 57.63 1pfq s SER 59 Cb -0.08 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 1pfq s SER 59 CO -0.11 -0.74 -0.18 -1.48 0.41 0.00 0.00 173.24 171.13 1pfq s LEU 60 N 2.93 2.64 -0.28 2.44 0.05 -1.26 -4.57 118.68 120.62 1pfq s LEU 60 Ca 0.26 -0.98 0.00 0.00 0.05 0.00 0.00 54.13 53.46 1pfq s LEU 60 Cb -0.14 -1.17 0.09 0.00 -2.05 0.00 0.00 46.19 42.92 1pfq s LEU 60 CO 0.18 0.04 0.05 -0.60 -0.55 0.00 0.00 176.35 175.47 1pfq s ARG 61 N -3.46 1.03 -0.03 1.48 3.00 -0.44 -4.95 118.95 115.59 1pfq s ARG 61 Ca 0.29 -1.11 -0.33 0.00 -1.00 0.00 0.00 55.73 53.58 1pfq s ARG 61 Cb -0.05 -2.34 -0.11 0.00 0.00 0.00 0.00 34.95 32.45 1pfq s ARG 61 CO 0.15 -0.85 1.90 0.91 0.00 0.00 0.00 175.30 177.40 1pfq n TRP 62 N 4.73 2.40 0.73 5.12 7.02 -1.26 -0.23 117.44 135.96 1pfq n TRP 62 Ca -0.04 -0.12 0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1pfq n TRP 62 Cb 0.43 -2.71 -0.03 0.00 -2.42 0.00 0.00 31.31 26.58 1pfq n TRP 62 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1pfq n ILE 63 N 5.17 0.00 -2.77 -0.99 -6.64 -0.80 -4.92 119.36 108.41 1pfq n ILE 63 Ca 0.21 -0.27 0.00 0.00 -1.77 0.00 0.00 62.75 60.93 1pfq n ILE 63 Cb 0.33 1.13 0.00 0.00 -1.44 0.00 0.00 39.64 39.67 1pfq n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 1pfq n SER 64 N -0.50 0.00 -0.01 7.28 3.41 -1.18 -4.99 113.62 117.63 1pfq n SER 64 Ca 0.06 -0.63 0.14 0.00 -0.26 0.00 0.00 58.87 58.18 1pfq n SER 64 Cb 0.31 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.94 1pfq n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1pfq n ASP 65 N -0.55 0.08 0.00 4.04 5.75 -1.26 -2.81 116.55 121.80 1pfq n ASP 65 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1pfq n ASP 65 Cb 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1pfq n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pfq n HIS 66 N -1.33 0.00 -4.22 2.11 1.44 -1.26 -4.44 115.22 107.53 1pfq n HIS 66 Ca 0.12 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.65 1pfq n HIS 66 Cb 0.28 0.07 -0.13 0.00 0.12 0.00 0.00 29.99 30.33 1pfq n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1pfq s GLU 67 N 0.00 0.72 0.08 -1.40 2.02 -1.26 -1.51 118.70 117.35 1pfq s GLU 67 Ca 0.00 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.34 1pfq s GLU 67 Cb 0.00 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.55 1pfq s GLU 67 CO 0.00 0.15 -0.11 1.52 0.02 0.00 0.00 175.26 176.84 1pfq s TYR 68 N -0.94 1.05 0.25 1.61 1.13 -0.81 -1.90 117.35 117.75 1pfq s TYR 68 Ca -0.02 -0.55 -0.08 0.00 -1.41 0.00 0.00 57.07 55.01 1pfq s TYR 68 Cb -0.08 -0.59 -0.07 0.00 -1.10 0.00 0.00 41.96 40.13 1pfq s TYR 68 CO 0.01 0.01 0.56 -0.51 -2.51 0.00 0.00 175.55 173.11 1pfq s LEU 69 N -2.00 4.12 -0.26 -3.49 1.43 0.68 -0.76 118.68 118.40 1pfq s LEU 69 Ca -0.00 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 1pfq s LEU 69 Cb -0.07 -3.66 0.10 0.00 0.03 0.00 0.00 46.19 42.59 1pfq s LEU 69 CO 0.01 -0.12 0.60 -0.47 0.23 0.00 0.00 176.35 176.60 1pfq s TYR 70 N -1.91 -1.06 -0.37 0.29 6.14 -0.57 -1.32 117.35 118.54 1pfq s TYR 70 Ca 0.47 2.01 -0.26 0.00 0.64 0.00 0.00 57.07 59.92 1pfq s TYR 70 Cb -0.11 0.60 0.02 0.00 0.42 0.00 0.00 41.96 42.89 1pfq s TYR 70 CO 0.24 -0.54 0.94 0.21 0.64 0.00 0.00 175.55 177.03 1pfq s LYS 71 N 2.16 3.85 -0.36 4.97 2.20 -1.26 -0.44 119.74 130.85 1pfq s LYS 71 Ca -0.07 0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 56.05 1pfq s LYS 71 Cb -0.09 -3.80 0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1pfq s LYS 71 CO -0.18 -0.96 0.17 -1.14 -0.36 0.00 0.00 175.35 172.89 1pfq s GLN 72 N 3.51 2.72 0.00 4.03 0.74 -0.81 -4.89 119.66 124.96 1pfq s GLN 72 Ca 0.39 -1.15 0.00 0.00 0.05 0.00 0.00 55.36 54.65 1pfq s GLN 72 Cb -0.12 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.36 1pfq s GLN 72 CO 0.19 -0.71 0.00 -0.85 -0.55 0.00 0.00 175.29 173.37 1pfq n GLU 73 N 4.92 0.00 0.00 1.67 0.28 -1.26 -3.20 120.64 123.05 1pfq n GLU 73 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1pfq n GLU 73 Cb 0.45 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.32 1pfq n GLU 73 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1pfq n ASN 74 N 0.59 2.74 -4.84 -1.84 3.02 -1.26 -5.11 115.26 108.56 1pfq n ASN 74 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1pfq n ASN 74 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1pfq n ASN 74 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1pfq s ASN 75 N -3.93 4.43 -0.22 6.41 4.22 -1.19 -4.75 114.94 119.92 1pfq s ASN 75 Ca 0.00 -1.38 -0.07 0.00 -2.14 0.00 0.00 52.86 49.26 1pfq s ASN 75 Cb 0.00 0.39 -0.04 0.00 1.28 0.00 0.00 41.25 42.88 1pfq s ASN 75 CO 0.00 -0.97 0.07 -0.63 -2.04 0.00 0.00 177.10 173.53 1pfq s ILE 76 N -2.80 4.57 0.14 0.54 1.01 -0.71 -1.93 121.20 122.01 1pfq s ILE 76 Ca 0.24 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1pfq s ILE 76 Cb -0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1pfq s ILE 76 CO 0.15 0.40 0.25 -0.76 0.00 0.00 0.00 174.94 174.97 1pfq s LEU 77 N 0.99 4.25 -0.08 2.97 1.43 0.41 -0.17 118.68 128.49 1pfq s LEU 77 Ca 0.04 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1pfq s LEU 77 Cb -0.14 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 1pfq s LEU 77 CO 0.03 0.07 -0.17 0.54 0.23 0.00 0.00 176.35 177.05 1pfq s VAL 78 N -1.71 2.74 -0.06 -1.59 0.11 -0.20 -1.51 120.40 118.19 1pfq s VAL 78 Ca 0.34 -0.81 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1pfq s VAL 78 Cb -0.11 -2.08 -0.01 0.00 -1.53 0.00 0.00 36.38 32.65 1pfq s VAL 78 CO 0.28 0.56 -0.24 -0.36 -3.33 0.00 0.00 175.10 172.01 1pfq s PHE 79 N -0.17 2.36 -0.16 1.54 0.08 0.06 -1.62 117.98 120.07 1pfq s PHE 79 Ca -0.01 -0.71 -0.25 0.00 0.12 0.00 0.00 56.93 56.07 1pfq s PHE 79 Cb -0.14 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 1pfq s PHE 79 CO 0.03 -0.22 0.83 1.21 -0.10 0.00 0.00 175.22 176.98 1pfq s ASN 80 N -0.12 6.97 0.15 1.36 3.84 0.02 -1.93 114.94 125.23 1pfq s ASN 80 Ca -0.04 1.19 -0.08 0.00 0.21 0.00 0.00 52.86 54.14 1pfq s ASN 80 Cb -0.14 -2.46 -0.03 0.00 -0.55 0.00 0.00 41.25 38.08 1pfq s ASN 80 CO 0.04 -0.38 1.42 0.00 -2.79 0.00 0.00 177.10 175.39 1pfq h ALA 81 N 7.29 0.52 -0.53 1.71 0.00 -1.59 0.61 119.26 127.26 1pfq h ALA 81 Ca -0.30 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 53.99 1pfq h ALA 81 Cb 1.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1pfq h ALA 81 CO 0.83 0.69 -0.01 1.49 0.00 0.00 0.00 179.25 182.25 1pfq h GLU 82 N 0.55 0.90 0.00 0.00 4.81 -1.94 -3.35 114.58 115.55 1pfq h GLU 82 Ca -0.00 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1pfq h GLU 82 Cb 1.19 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1pfq h GLU 82 CO 0.12 0.90 -1.07 0.66 -0.73 0.00 0.00 179.01 178.89 1pfq n TYR 83 N -4.19 0.00 -0.74 0.92 4.01 -1.22 -5.02 117.16 110.91 1pfq n TYR 83 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1pfq n TYR 83 Cb 0.33 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1pfq n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pfq n GLY 84 N 2.44 0.81 3.81 2.72 0.00 0.21 -5.03 105.19 110.15 1pfq n GLY 84 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1pfq n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfq s ASN 85 N -2.76 5.73 0.04 1.61 4.22 -1.25 -4.75 114.94 117.78 1pfq s ASN 85 Ca 0.00 1.77 -0.05 0.00 -2.14 0.00 0.00 52.86 52.45 1pfq s ASN 85 Cb 0.00 -2.53 -0.02 0.00 1.28 0.00 0.00 41.25 39.99 1pfq s ASN 85 CO 0.00 -1.21 0.07 -0.94 -2.04 0.00 0.00 177.10 172.99 1pfq s SER 86 N -2.97 0.22 0.19 3.54 1.04 -1.26 -0.80 113.70 113.66 1pfq s SER 86 Ca 0.62 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1pfq s SER 86 Cb -0.15 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1pfq s SER 86 CO 0.40 -0.52 0.07 -0.44 0.98 0.00 0.00 173.24 173.73 1pfq s SER 87 N -2.23 0.72 -0.27 7.02 0.01 -0.64 -4.99 113.70 113.32 1pfq s SER 87 Ca -0.03 -1.29 -0.29 0.00 1.31 0.00 0.00 55.95 55.65 1pfq s SER 87 Cb -0.00 0.24 0.01 0.00 0.21 0.00 0.00 66.02 66.48 1pfq s SER 87 CO -0.05 -0.72 1.03 -0.69 0.41 0.00 0.00 173.24 173.22 1pfq s VAL 88 N -3.91 4.63 -0.09 3.43 1.01 -1.26 -1.03 120.40 123.18 1pfq s VAL 88 Ca 0.31 1.87 -0.15 0.00 0.00 0.00 0.00 61.98 64.01 1pfq s VAL 88 Cb 0.07 -4.33 -0.28 0.00 0.00 0.00 0.00 36.38 31.84 1pfq s VAL 88 CO 0.08 -0.28 0.58 0.15 0.00 0.00 0.00 175.10 175.62 1pfq h PHE 89 N 7.71 0.49 -2.91 5.22 3.04 -0.85 -3.46 116.94 126.18 1pfq h PHE 89 Ca -0.20 -0.36 -0.33 0.00 3.98 0.00 0.00 57.97 61.07 1pfq h PHE 89 Cb 1.06 -0.02 -0.37 0.00 2.56 0.00 0.00 35.95 39.19 1pfq h PHE 89 CO 0.78 1.57 -0.65 -1.17 -2.02 0.00 0.00 178.31 176.82 1pfq s LEU 90 N -7.51 -0.02 1.14 0.59 2.96 -0.82 -5.00 118.68 110.02 1pfq s LEU 90 Ca -0.19 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.60 1pfq s LEU 90 Cb 0.04 0.23 0.25 0.00 0.50 0.00 0.00 46.19 47.21 1pfq s LEU 90 CO 0.78 -0.29 0.91 -0.62 -1.32 0.00 0.00 176.35 175.82 1pfq n GLU 91 N 5.32 -2.13 -1.04 1.98 1.02 -1.26 -1.75 120.64 122.78 1pfq n GLU 91 Ca -0.05 -0.59 -0.23 0.00 -0.02 0.00 0.00 57.16 56.28 1pfq n GLU 91 Cb 0.50 -2.14 -0.09 0.00 -0.02 0.00 0.00 31.44 29.68 1pfq n GLU 91 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1pfq n ASN 92 N -4.48 6.29 -3.55 1.62 4.05 -1.26 -4.71 115.26 113.22 1pfq n ASN 92 Ca 0.04 -2.45 -0.28 0.00 0.45 0.00 0.00 54.58 52.33 1pfq n ASN 92 Cb 0.55 -1.37 -0.12 0.00 1.23 0.00 0.00 39.78 40.07 1pfq n ASN 92 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1pfq s SER 93 N 2.25 2.84 -0.31 1.20 0.01 -1.26 -4.95 113.70 113.48 1pfq s SER 93 Ca 0.62 -2.78 -0.04 0.00 1.31 0.00 0.00 55.95 55.06 1pfq s SER 93 Cb 0.23 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 1pfq s SER 93 CO -0.03 -0.23 3.04 0.41 0.41 0.00 0.00 173.24 176.84 1pfq n THR 94 N 3.29 3.21 -0.15 1.44 -1.04 -1.26 -4.07 114.28 115.70 1pfq n THR 94 Ca 0.18 -2.49 0.06 0.00 -2.04 0.00 0.00 64.05 59.75 1pfq n THR 94 Cb 0.40 -1.72 0.27 0.00 -1.82 0.00 0.00 70.33 67.46 1pfq n THR 94 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1pfq n PHE 95 N 1.39 1.25 0.02 -1.42 -1.74 -1.26 -1.89 117.46 113.81 1pfq n PHE 95 Ca 0.47 -0.47 -0.21 0.00 -0.56 0.00 0.00 57.45 56.68 1pfq n PHE 95 Cb 0.67 -0.28 -0.14 0.00 1.52 0.00 0.00 39.48 41.25 1pfq n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.56 0.00 0.00 176.76 175.76 1pfq h ASP 96 N 2.92 0.40 0.00 5.98 3.32 -1.92 -3.41 116.42 123.71 1pfq h ASP 96 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 1pfq h ASP 96 Cb 1.30 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1pfq h ASP 96 CO 0.25 1.56 0.00 1.21 -1.72 0.00 0.00 179.24 180.54 1pfq n GLU 97 N -3.98 0.00 -2.99 3.56 4.07 -1.26 -4.70 120.64 115.35 1pfq n GLU 97 Ca -0.22 0.27 -0.01 0.00 -0.06 0.00 0.00 57.16 57.14 1pfq n GLU 97 Cb 0.88 -0.73 -0.01 0.00 -0.06 0.00 0.00 31.44 31.52 1pfq n GLU 97 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1pfq n PHE 98 N -1.68 -1.41 0.00 4.31 -0.00 -0.79 -4.62 117.46 113.26 1pfq n PHE 98 Ca 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 57.45 58.16 1pfq n PHE 98 Cb 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 39.48 37.48 1pfq n PHE 98 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pfq n GLY 99 N 1.55 0.85 2.95 7.13 0.00 -1.26 -5.02 105.19 111.38 1pfq n GLY 99 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1pfq n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pfq s HIS 100 N -0.19 0.70 0.05 1.61 3.76 -1.26 -5.13 115.29 114.81 1pfq s HIS 100 Ca 0.00 -0.16 -0.29 0.00 -0.15 0.00 0.00 55.06 54.46 1pfq s HIS 100 Cb 0.00 -0.53 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 1pfq s HIS 100 CO 0.00 -0.09 0.94 -1.12 -0.85 0.00 0.00 174.74 173.62 1pfq s SER 101 N 0.31 7.39 -0.24 1.40 0.01 -1.26 -4.97 113.70 116.34 1pfq s SER 101 Ca -0.04 1.67 -0.15 0.00 1.31 0.00 0.00 55.95 58.74 1pfq s SER 101 Cb -0.08 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1pfq s SER 101 CO 0.00 -0.15 0.39 -0.63 0.41 0.00 0.00 173.24 173.26 1pfq s ILE 102 N 0.49 5.18 -0.03 1.44 1.01 -1.26 -4.63 121.20 123.41 1pfq s ILE 102 Ca 0.48 0.64 -0.17 0.00 0.00 0.00 0.00 60.65 61.61 1pfq s ILE 102 Cb -0.22 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 1pfq s ILE 102 CO 0.28 0.20 0.70 -1.13 0.00 0.00 0.00 174.94 174.99 1pfq h ASN 103 N 7.77 -0.51 -4.62 3.58 -1.24 -1.77 -3.49 115.58 115.31 1pfq h ASN 103 Ca -0.34 0.02 -0.42 0.00 0.71 0.00 0.00 56.30 56.27 1pfq h ASN 103 Cb 1.16 0.13 -0.14 0.00 0.73 0.00 0.00 38.32 40.20 1pfq h ASN 103 CO 0.68 -0.10 -0.56 -0.62 -1.29 0.00 0.00 177.43 175.54 1pfq s ASP 104 N -4.74 1.61 0.24 1.15 3.68 -1.23 -5.02 116.67 112.36 1pfq s ASP 104 Ca -0.09 -1.55 -0.20 0.00 2.13 0.00 0.00 52.55 52.84 1pfq s ASP 104 Cb 0.01 0.37 0.03 0.00 -1.45 0.00 0.00 42.92 41.88 1pfq s ASP 104 CO 0.26 -0.88 0.64 -0.72 0.13 0.00 0.00 175.17 174.61 1pfq s TYR 105 N -3.58 -0.21 -0.22 -5.34 1.13 -1.26 -1.39 117.35 106.48 1pfq s TYR 105 Ca 0.35 -0.17 -0.05 0.00 -1.41 0.00 0.00 57.07 55.79 1pfq s TYR 105 Cb 0.05 0.58 0.11 0.00 -1.10 0.00 0.00 41.96 41.60 1pfq s TYR 105 CO 0.17 -1.08 0.43 0.45 -2.51 0.00 0.00 175.55 173.01 1pfq s SER 106 N -2.88 -0.21 -0.01 -0.18 0.15 0.18 -4.97 113.70 105.78 1pfq s SER 106 Ca 0.09 0.79 -0.24 0.00 0.70 0.00 0.00 55.95 57.30 1pfq s SER 106 Cb -0.04 1.36 -0.05 0.00 -1.71 0.00 0.00 66.02 65.59 1pfq s SER 106 CO 0.01 -0.25 0.71 -0.63 1.20 0.00 0.00 173.24 174.28 1pfq s ILE 107 N 2.62 4.90 0.55 6.45 1.01 -1.26 -0.13 121.20 135.34 1pfq s ILE 107 Ca 0.04 1.49 -0.22 0.00 0.00 0.00 0.00 60.65 61.96 1pfq s ILE 107 Cb -0.13 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1pfq s ILE 107 CO -0.14 0.32 1.35 -1.54 0.00 0.00 0.00 174.94 174.93 1pfq n SER 108 N 3.24 2.64 -0.34 3.58 3.41 -0.12 -4.89 113.62 121.15 1pfq n SER 108 Ca -0.03 0.98 0.16 0.00 -0.26 0.00 0.00 58.87 59.72 1pfq n SER 108 Cb 0.51 -1.57 0.36 0.00 -0.26 0.00 0.00 64.21 63.25 1pfq n SER 108 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1pfq h PRO 109 N 1.41 0.57 -0.20 4.33 0.11 -1.81 0.18 132.00 136.59 1pfq h PRO 109 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1pfq h PRO 109 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pfq h PRO 109 CO 0.57 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 1pfq n ASP 110 N -4.89 1.35 0.00 -2.05 5.68 -1.17 -4.86 116.55 110.60 1pfq n ASP 110 Ca 0.26 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 1pfq n ASP 110 Cb 0.70 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1pfq n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pfq n GLY 111 N 0.98 0.29 0.11 6.12 0.00 0.63 -4.85 105.19 108.46 1pfq n GLY 111 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1pfq n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pfq h GLN 112 N 0.69 0.12 -5.11 1.61 4.20 -1.91 -3.46 115.11 111.25 1pfq h GLN 112 Ca 0.00 -0.14 -0.35 0.00 0.06 0.00 0.00 58.65 58.22 1pfq h GLN 112 Cb 0.40 0.04 -0.18 0.00 0.30 0.00 0.00 27.48 28.05 1pfq h GLN 112 CO 0.00 0.93 -0.74 -0.06 -0.67 0.00 0.00 178.83 178.29 1pfq s PHE 113 N -3.10 1.18 -0.06 2.96 0.08 -1.26 -0.46 117.98 117.33 1pfq s PHE 113 Ca -0.02 -0.63 0.04 0.00 0.12 0.00 0.00 56.93 56.44 1pfq s PHE 113 Cb 0.10 -0.63 0.00 0.00 -0.57 0.00 0.00 43.02 41.92 1pfq s PHE 113 CO 0.82 0.05 -0.17 -1.50 -0.10 0.00 0.00 175.22 174.33 1pfq s ILE 114 N -2.44 1.43 -0.20 0.64 2.07 -0.42 -0.94 121.20 121.33 1pfq s ILE 114 Ca 0.08 -0.69 -0.07 0.00 -1.41 0.00 0.00 60.65 58.55 1pfq s ILE 114 Cb -0.03 -1.24 -0.04 0.00 0.13 0.00 0.00 42.46 41.28 1pfq s ILE 114 CO 0.01 0.41 0.07 -0.22 -1.91 0.00 0.00 174.94 173.30 1pfq s LEU 115 N 0.25 3.70 -0.04 8.50 2.96 0.81 -0.79 118.68 134.07 1pfq s LEU 115 Ca -0.09 -0.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1pfq s LEU 115 Cb -0.13 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1pfq s LEU 115 CO 0.03 0.11 -0.25 -1.48 -1.32 0.00 0.00 176.35 173.44 1pfq s LEU 116 N 0.76 2.06 0.01 -0.68 2.34 -0.73 0.49 118.68 122.93 1pfq s LEU 116 Ca 0.03 -0.49 0.02 0.00 0.06 0.00 0.00 54.13 53.75 1pfq s LEU 116 Cb -0.13 -1.36 -0.04 0.00 -0.56 0.00 0.00 46.19 44.10 1pfq s LEU 116 CO 0.02 0.28 0.01 -1.83 -1.06 0.00 0.00 176.35 173.77 1pfq s GLU 117 N -0.35 2.80 0.21 1.48 -1.05 -0.49 -1.86 118.70 119.44 1pfq s GLU 117 Ca 0.02 -0.62 -0.10 0.00 -0.15 0.00 0.00 54.97 54.13 1pfq s GLU 117 Cb -0.12 -2.68 -0.01 0.00 -0.44 0.00 0.00 34.13 30.88 1pfq s GLU 117 CO 0.02 0.62 0.35 1.52 0.95 0.00 0.00 175.26 178.72 1pfq s TYR 118 N -1.11 0.49 -1.14 4.83 1.13 -0.18 -1.90 117.35 119.46 1pfq s TYR 118 Ca 0.20 -0.83 -0.01 0.00 -1.41 0.00 0.00 57.07 55.02 1pfq s TYR 118 Cb -0.12 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.72 1pfq s TYR 118 CO 0.11 -0.83 0.96 0.09 -2.51 0.00 0.00 175.55 173.38 1pfq n ASN 119 N -0.30 -2.67 -4.70 -0.18 4.13 -1.26 0.04 115.26 110.31 1pfq n ASN 119 Ca -0.03 -0.57 -0.42 0.00 1.68 0.00 0.00 54.58 55.24 1pfq n ASN 119 Cb 0.63 -4.81 -0.03 0.00 -1.54 0.00 0.00 39.78 34.03 1pfq n ASN 119 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1pfq s TYR 120 N -3.33 3.41 -0.28 3.10 6.14 -1.26 -4.23 117.35 120.91 1pfq s TYR 120 Ca 0.09 1.41 -0.01 0.00 0.64 0.00 0.00 57.07 59.20 1pfq s TYR 120 Cb -0.04 -3.31 0.09 0.00 0.42 0.00 0.00 41.96 39.12 1pfq s TYR 120 CO 0.68 -0.82 0.07 0.08 0.64 0.00 0.00 175.55 176.20 1pfq s VAL 121 N 1.63 0.89 0.53 3.14 1.01 -0.06 -5.00 120.40 122.54 1pfq s VAL 121 Ca 0.54 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 1pfq s VAL 121 Cb -0.24 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1pfq s VAL 121 CO 0.24 -0.52 1.34 -0.75 0.00 0.00 0.00 175.10 175.41 1pfq s LYS 122 N 1.64 3.23 0.00 2.72 2.20 -1.26 -1.61 119.74 126.65 1pfq s LYS 122 Ca 0.06 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1pfq s LYS 122 Cb -0.17 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 1pfq s LYS 122 CO -0.19 -1.11 0.00 0.94 -0.36 0.00 0.00 175.35 174.63 1pfq n GLN 123 N -0.94 0.00 0.00 4.03 7.27 0.55 -4.87 117.38 123.42 1pfq n GLN 123 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1pfq n GLN 123 Cb 0.45 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.10 1pfq n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 1pfq n TRP 124 N 0.00 0.00 -0.02 3.69 5.03 -1.16 -4.91 117.44 120.07 1pfq n TRP 124 Ca 0.00 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.44 1pfq n TRP 124 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.24 1pfq n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 1pfq h ARG 125 N 0.00 0.00 0.00 -0.99 2.43 -1.99 -3.25 114.38 110.58 1pfq h ARG 125 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pfq h ARG 125 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1pfq h ARG 125 CO 0.00 0.00 -1.11 0.72 -1.51 0.00 0.00 179.97 178.07 1pfq n HIS 126 N -5.17 0.00 -2.30 2.20 8.25 -1.26 -5.02 115.22 111.92 1pfq n HIS 126 Ca -0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 1pfq n HIS 126 Cb 0.10 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 1pfq n HIS 126 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pfq s SER 127 N -2.66 7.02 0.13 0.41 0.15 -1.23 -4.67 113.70 112.85 1pfq s SER 127 Ca -0.01 2.43 -0.25 0.00 0.70 0.00 0.00 55.95 58.81 1pfq s SER 127 Cb 0.06 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 1pfq s SER 127 CO 0.35 -0.37 0.86 -0.72 1.20 0.00 0.00 173.24 174.57 1pfq s TYR 128 N -0.80 -0.25 0.21 3.44 1.13 -1.26 -0.33 117.35 119.50 1pfq s TYR 128 Ca 0.49 -0.03 0.08 0.00 -1.41 0.00 0.00 57.07 56.21 1pfq s TYR 128 Cb -0.35 0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 41.07 1pfq s TYR 128 CO 0.44 -0.82 -0.15 0.95 -2.51 0.00 0.00 175.55 173.45 1pfq s THR 129 N -3.40 1.85 0.19 -3.49 -4.23 -0.63 -4.65 115.64 101.26 1pfq s THR 129 Ca 0.09 -2.23 -0.24 0.00 -1.18 0.00 0.00 61.69 58.13 1pfq s THR 129 Cb -0.02 -2.07 0.05 0.00 1.34 0.00 0.00 72.50 71.80 1pfq s THR 129 CO -0.02 -0.56 0.82 0.00 -0.54 0.00 0.00 174.62 174.32 1pfq s ALA 130 N -2.88 -1.49 0.19 3.99 0.00 -0.71 -0.88 121.76 119.97 1pfq s ALA 130 Ca 0.23 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1pfq s ALA 130 Cb -0.02 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1pfq s ALA 130 CO 0.08 -0.98 0.34 -1.12 0.00 0.00 0.00 175.76 174.09 1pfq s SER 131 N -2.87 6.35 -0.04 0.00 0.01 0.11 -2.37 113.70 114.89 1pfq s SER 131 Ca 0.10 0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 1pfq s SER 131 Cb -0.03 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.28 1pfq s SER 131 CO 0.01 -0.01 0.10 -0.31 0.41 0.00 0.00 173.24 173.44 1pfq s TYR 132 N -1.85 -0.10 0.25 2.43 2.02 -1.26 -1.01 117.35 117.83 1pfq s TYR 132 Ca 0.36 0.31 0.12 0.00 -0.37 0.00 0.00 57.07 57.48 1pfq s TYR 132 Cb -0.11 -0.05 -0.05 0.00 -0.40 0.00 0.00 41.96 41.36 1pfq s TYR 132 CO 0.29 -0.10 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.47 1pfq s ASP 133 N 0.58 3.61 -0.16 2.29 -0.00 -0.77 -4.46 116.67 117.76 1pfq s ASP 133 Ca -0.04 -0.94 0.00 0.00 -0.00 0.00 0.00 52.55 51.57 1pfq s ASP 133 Cb -0.06 -0.33 0.00 0.00 -0.00 0.00 0.00 42.92 42.54 1pfq s ASP 133 CO -0.02 0.07 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.42 1pfq s ILE 134 N -2.20 2.52 -0.19 0.77 1.01 -1.26 -1.77 121.20 120.08 1pfq s ILE 134 Ca 0.27 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 1pfq s ILE 134 Cb -0.06 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 1pfq s ILE 134 CO 0.14 0.52 0.10 -0.47 0.00 0.00 0.00 174.94 175.22 1pfq s TYR 135 N 0.93 3.33 -0.54 3.97 5.04 0.03 -0.51 117.35 129.60 1pfq s TYR 135 Ca -0.03 0.20 -0.22 0.00 -2.44 0.00 0.00 57.07 54.57 1pfq s TYR 135 Cb -0.15 -2.13 0.05 0.00 0.35 0.00 0.00 41.96 40.08 1pfq s TYR 135 CO -0.02 0.21 0.82 0.34 -1.34 0.00 0.00 175.55 175.56 1pfq s ASP 136 N 0.41 6.29 0.48 4.32 3.68 -1.13 -1.30 116.67 129.42 1pfq s ASP 136 Ca 0.06 -0.60 0.31 0.00 2.13 0.00 0.00 52.55 54.46 1pfq s ASP 136 Cb -0.12 -2.38 1.30 0.00 -1.45 0.00 0.00 42.92 40.27 1pfq s ASP 136 CO -0.01 -1.10 1.92 -0.07 0.13 0.00 0.00 175.17 176.04 1pfq h LEU 137 N 10.49 0.00 -2.12 -1.34 3.38 -1.10 -2.41 115.31 122.22 1pfq h LEU 137 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1pfq h LEU 137 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1pfq h LEU 137 CO 1.04 0.00 0.00 0.59 0.09 0.00 0.00 178.44 180.16 1pfq n ASN 138 N -2.86 3.09 0.00 -0.43 3.02 -1.25 -4.69 115.26 112.14 1pfq n ASN 138 Ca 0.01 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 1pfq n ASN 138 Cb 0.28 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1pfq n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pfq n LYS 139 N 0.29 0.00 0.00 3.52 5.02 -0.91 -5.08 118.16 121.01 1pfq n LYS 139 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1pfq n LYS 139 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 1pfq n LYS 139 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1pfq n ARG 140 N 0.00 0.00 -3.53 1.97 0.63 -1.24 -5.11 116.66 109.38 1pfq n ARG 140 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1pfq n ARG 140 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1pfq n ARG 140 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1pfq s GLN 141 N -0.01 3.79 0.73 -0.14 0.74 -1.26 -4.93 119.66 118.58 1pfq s GLN 141 Ca 0.00 0.22 -0.11 0.00 0.05 0.00 0.00 55.36 55.52 1pfq s GLN 141 Cb 0.00 -2.94 0.03 0.00 1.10 0.00 0.00 33.01 31.20 1pfq s GLN 141 CO 0.00 0.51 1.08 -0.51 -0.55 0.00 0.00 175.29 175.82 1pfq s LEU 142 N -2.07 3.09 -0.05 3.68 1.43 -1.26 -2.84 118.68 120.66 1pfq s LEU 142 Ca 0.36 1.72 -0.28 0.00 -1.03 0.00 0.00 54.13 54.90 1pfq s LEU 142 Cb -0.14 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 1pfq s LEU 142 CO 0.19 -1.73 0.89 -0.63 0.23 0.00 0.00 176.35 175.31 1pfq s ILE 143 N -2.97 4.91 -0.02 -0.59 1.01 0.34 -4.90 121.20 118.98 1pfq s ILE 143 Ca 0.60 1.85 0.02 0.00 0.00 0.00 0.00 60.65 63.11 1pfq s ILE 143 Cb -0.16 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 1pfq s ILE 143 CO 0.55 0.15 0.01 0.41 0.00 0.00 0.00 174.94 176.06 1pfq n THR 144 N 4.05 0.15 -3.85 2.92 -1.04 -1.26 -4.66 114.28 110.59 1pfq n THR 144 Ca 0.04 -0.09 -0.35 0.00 -2.04 0.00 0.00 64.05 61.61 1pfq n THR 144 Cb 0.51 -0.92 -0.05 0.00 -1.82 0.00 0.00 70.33 68.04 1pfq n THR 144 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1pfq s GLU 145 N -2.05 3.49 -1.21 -2.82 1.03 -1.26 -4.48 118.70 111.39 1pfq s GLU 145 Ca -0.01 -0.19 -0.01 0.00 0.03 0.00 0.00 54.97 54.79 1pfq s GLU 145 Cb 0.01 -3.12 -0.01 0.00 -0.80 0.00 0.00 34.13 30.21 1pfq s GLU 145 CO 0.09 0.70 0.92 0.39 -1.33 0.00 0.00 175.26 176.02 1pfq n GLU 146 N 1.29 -5.76 -1.75 -4.83 -0.58 -1.26 -4.85 120.64 102.90 1pfq n GLU 146 Ca -0.14 0.79 -0.30 0.00 -0.42 0.00 0.00 57.16 57.10 1pfq n GLU 146 Cb 0.53 -5.67 0.08 0.00 -0.57 0.00 0.00 31.44 25.81 1pfq n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1pfq s ARG 147 N -5.44 2.25 0.04 3.49 0.52 -1.26 -4.85 118.95 113.70 1pfq s ARG 147 Ca 0.05 0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 55.37 1pfq s ARG 147 Cb -0.01 -1.96 -0.06 0.00 0.52 0.00 0.00 34.95 33.45 1pfq s ARG 147 CO 0.75 -1.46 1.25 0.42 0.02 0.00 0.00 175.30 176.29 1pfq s ILE 148 N -3.34 3.92 0.88 1.52 1.01 -1.26 -5.00 121.20 118.93 1pfq s ILE 148 Ca 0.60 1.36 -0.11 0.00 0.00 0.00 0.00 60.65 62.50 1pfq s ILE 148 Cb -0.12 -3.87 0.12 0.00 0.01 0.00 0.00 42.46 38.60 1pfq s ILE 148 CO 0.52 0.08 1.14 -2.16 0.00 0.00 0.00 174.94 174.52 1pfq s PRO 149 N 1.40 1.30 0.13 2.79 0.04 -1.26 -4.57 135.00 134.84 1pfq s PRO 149 Ca 0.60 1.51 0.27 0.00 0.04 0.00 0.00 61.00 63.42 1pfq s PRO 149 Cb -0.30 -1.76 0.84 0.00 0.04 0.00 0.00 34.50 33.32 1pfq s PRO 149 CO 0.28 -2.41 1.74 0.09 0.04 0.00 0.00 177.00 176.73 1pfq n ASN 150 N -3.99 0.57 -2.35 6.66 3.02 -1.26 -3.63 115.26 114.28 1pfq n ASN 150 Ca 0.12 0.45 -0.30 0.00 -0.03 0.00 0.00 54.58 54.82 1pfq n ASN 150 Cb 0.52 -0.54 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 1pfq n ASN 150 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pfq n ASN 151 N -2.00 5.90 -4.79 6.41 3.02 -1.26 -3.79 115.26 118.75 1pfq n ASN 151 Ca 0.06 -3.77 -0.36 0.00 -0.03 0.00 0.00 54.58 50.48 1pfq n ASN 151 Cb 0.40 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.88 1pfq n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1pfq s THR 152 N -4.97 4.28 -0.18 3.41 2.01 -1.00 -4.55 115.64 114.64 1pfq s THR 152 Ca 0.53 1.71 0.17 0.00 0.31 0.00 0.00 61.69 64.42 1pfq s THR 152 Cb 0.43 -3.93 -0.24 0.00 0.01 0.00 0.00 72.50 68.78 1pfq s THR 152 CO -0.11 0.07 0.07 0.00 -0.69 0.00 0.00 174.62 173.97 1pfq n GLN 153 N 0.38 0.90 -3.61 4.92 6.02 0.55 -1.74 117.38 124.81 1pfq n GLN 153 Ca 0.02 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 1pfq n GLN 153 Cb 0.51 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.22 1pfq n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1pfq s TRP 154 N -2.48 -0.65 -0.01 1.08 -0.11 -1.21 -4.62 118.94 110.94 1pfq s TRP 154 Ca -0.09 1.46 0.02 0.00 1.22 0.00 0.00 56.10 58.70 1pfq s TRP 154 Cb 0.06 0.34 -0.00 0.00 -1.50 0.00 0.00 33.47 32.36 1pfq s TRP 154 CO 0.78 -0.38 -0.06 0.08 -4.62 0.00 0.00 176.95 172.74 1pfq s VAL 155 N -0.10 0.52 -0.04 5.86 1.01 -1.26 -0.84 120.40 125.54 1pfq s VAL 155 Ca -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1pfq s VAL 155 Cb -0.04 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1pfq s VAL 155 CO 0.01 0.16 0.10 0.28 0.00 0.00 0.00 175.10 175.65 1pfq s THR 156 N -0.01 -0.00 0.76 3.92 -1.32 -0.17 -5.01 115.64 113.81 1pfq s THR 156 Ca 0.01 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.37 1pfq s THR 156 Cb -0.04 -0.16 0.06 0.00 -1.51 0.00 0.00 72.50 70.85 1pfq s THR 156 CO -0.00 0.00 1.13 0.26 -2.21 0.00 0.00 174.62 173.80 1pfq s TRP 157 N 0.11 2.32 0.83 9.09 0.52 -1.26 -1.59 118.94 128.95 1pfq s TRP 157 Ca -0.00 1.61 -0.11 0.00 0.02 0.00 0.00 56.10 57.62 1pfq s TRP 157 Cb -0.01 -3.21 0.09 0.00 -1.15 0.00 0.00 33.47 29.19 1pfq s TRP 157 CO -0.00 -2.10 1.10 -1.54 0.02 0.00 0.00 176.95 174.43 1pfq s SER 158 N -2.81 3.97 0.38 2.95 1.04 -0.36 -4.87 113.70 113.99 1pfq s SER 158 Ca 0.66 1.84 0.17 0.00 0.48 0.00 0.00 55.95 59.09 1pfq s SER 158 Cb -0.21 -2.47 0.74 0.00 0.10 0.00 0.00 66.02 64.18 1pfq s SER 158 CO 0.51 -2.38 1.79 -0.65 0.98 0.00 0.00 173.24 173.49 1pfq h PRO 159 N -1.37 0.00 -5.24 4.02 0.11 -1.84 -3.42 132.00 124.26 1pfq h PRO 159 Ca -0.45 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 1pfq h PRO 159 Cb 1.25 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 1pfq h PRO 159 CO 0.50 0.38 -0.57 0.14 -0.21 0.00 0.00 178.00 178.24 1pfq s VAL 160 N -3.88 1.15 0.00 3.15 -7.23 -1.26 -4.80 120.40 107.53 1pfq s VAL 160 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1pfq s VAL 160 Cb 0.13 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1pfq s VAL 160 CO 0.70 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.10 1pfq n GLY 161 N -0.86 1.53 2.75 2.32 0.00 -1.26 -4.47 105.19 105.21 1pfq n GLY 161 Ca -0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 1pfq n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1pfq n HIS 162 N 5.33 -0.40 -2.05 1.61 1.44 -1.26 -3.06 115.22 116.82 1pfq n HIS 162 Ca 0.00 -1.94 -0.34 0.00 -2.01 0.00 0.00 57.72 53.43 1pfq n HIS 162 Cb 0.00 0.66 0.02 0.00 0.12 0.00 0.00 29.99 30.79 1pfq n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1pfq s LYS 163 N -1.85 3.14 -0.02 -1.40 1.02 -1.26 -4.46 119.74 114.91 1pfq s LYS 163 Ca 0.18 1.51 0.05 0.00 0.02 0.00 0.00 55.97 57.72 1pfq s LYS 163 Cb 0.39 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 1pfq s LYS 163 CO -0.08 -1.00 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.68 1pfq s LEU 164 N -4.24 2.00 -0.05 3.17 1.43 0.22 -1.23 118.68 119.97 1pfq s LEU 164 Ca 0.70 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.55 1pfq s LEU 164 Cb -0.22 -0.83 -0.00 0.00 0.03 0.00 0.00 46.19 45.16 1pfq s LEU 164 CO 0.33 0.18 -0.20 0.00 0.23 0.00 0.00 176.35 176.89 1pfq s ALA 165 N -0.28 1.76 0.08 4.21 0.00 -0.62 -0.25 121.76 126.66 1pfq s ALA 165 Ca 0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1pfq s ALA 165 Cb -0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1pfq s ALA 165 CO -0.00 0.31 0.04 1.52 0.00 0.00 0.00 175.76 177.63 1pfq s TYR 166 N 0.03 0.53 -0.10 0.00 1.13 -0.34 -0.99 117.35 117.60 1pfq s TYR 166 Ca -0.05 -1.01 0.04 0.00 -1.41 0.00 0.00 57.07 54.63 1pfq s TYR 166 Cb -0.13 -0.34 0.00 0.00 -1.10 0.00 0.00 41.96 40.39 1pfq s TYR 166 CO 0.03 -0.46 -0.22 0.08 -2.51 0.00 0.00 175.55 172.48 1pfq s VAL 167 N -3.94 1.92 -0.10 -3.49 1.01 -0.02 -0.17 120.40 115.61 1pfq s VAL 167 Ca 0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1pfq s VAL 167 Cb 0.07 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1pfq s VAL 167 CO -0.07 0.53 0.21 0.86 0.00 0.00 0.00 175.10 176.63 1pfq s TRP 168 N 0.42 -0.29 -1.47 5.22 -0.00 -0.45 -0.33 118.94 122.04 1pfq s TRP 168 Ca -0.17 0.75 -0.09 0.00 -0.00 0.00 0.00 56.10 56.58 1pfq s TRP 168 Cb -0.17 -0.08 0.06 0.00 -0.00 0.00 0.00 33.47 33.28 1pfq s TRP 168 CO 0.07 -0.27 0.86 0.09 -0.00 0.00 0.00 176.95 177.70 1pfq n ASN 169 N 4.85 -3.40 -0.52 5.86 3.02 -1.26 -2.45 115.26 121.36 1pfq n ASN 169 Ca -0.14 -0.82 -0.07 0.00 -0.03 0.00 0.00 54.58 53.52 1pfq n ASN 169 Cb 0.51 -3.81 -0.03 0.00 -0.61 0.00 0.00 39.78 35.84 1pfq n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pfq n ASN 170 N -2.90 -4.82 -4.35 6.41 4.13 -1.26 -4.42 115.26 108.05 1pfq n ASN 170 Ca -0.08 0.17 -0.28 0.00 1.68 0.00 0.00 54.58 56.07 1pfq n ASN 170 Cb 0.58 -2.92 -0.13 0.00 -1.54 0.00 0.00 39.78 35.76 1pfq n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1pfq s ASP 171 N -2.42 3.07 -0.03 6.41 1.01 -1.03 -2.18 116.67 121.51 1pfq s ASP 171 Ca 0.00 -0.69 -0.17 0.00 0.71 0.00 0.00 52.55 52.40 1pfq s ASP 171 Cb 0.00 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.66 1pfq s ASP 171 CO 0.00 0.17 0.46 -0.63 0.21 0.00 0.00 175.17 175.38 1pfq s ILE 172 N -1.01 5.03 0.04 0.77 1.01 -1.26 -1.35 121.20 124.43 1pfq s ILE 172 Ca 0.12 0.95 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1pfq s ILE 172 Cb -0.10 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1pfq s ILE 172 CO 0.05 0.49 -0.18 -0.31 0.00 0.00 0.00 174.94 174.99 1pfq s TYR 173 N -0.50 1.54 -0.05 3.97 2.02 0.76 -0.93 117.35 124.16 1pfq s TYR 173 Ca 0.25 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.66 1pfq s TYR 173 Cb -0.17 -0.92 -0.01 0.00 -0.40 0.00 0.00 41.96 40.46 1pfq s TYR 173 CO 0.13 0.06 -0.24 0.08 -1.57 0.00 0.00 175.55 174.01 1pfq s VAL 174 N -0.77 1.96 -0.18 0.71 1.01 -0.45 -1.20 120.40 121.48 1pfq s VAL 174 Ca 0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1pfq s VAL 174 Cb -0.08 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1pfq s VAL 174 CO 0.01 0.55 -0.10 -0.54 0.00 0.00 0.00 175.10 175.02 1pfq s LYS 175 N -0.15 3.34 0.09 2.72 1.02 0.66 -0.52 119.74 126.91 1pfq s LYS 175 Ca -0.03 -0.67 -0.05 0.00 0.02 0.00 0.00 55.97 55.24 1pfq s LYS 175 Cb -0.13 -2.81 -0.22 0.00 -0.52 0.00 0.00 37.83 34.15 1pfq s LYS 175 CO 0.03 -0.03 1.20 0.82 -0.92 0.00 0.00 175.35 176.45 1pfq h ILE 176 N 5.60 1.46 -3.97 2.17 2.04 -1.83 0.64 117.51 123.62 1pfq h ILE 176 Ca -0.36 -2.83 -0.35 0.00 1.00 0.00 0.00 64.86 62.33 1pfq h ILE 176 Cb 1.18 2.76 -0.23 0.00 -0.74 0.00 0.00 36.82 39.80 1pfq h ILE 176 CO 0.59 0.83 -0.76 -1.61 0.00 0.00 0.00 178.15 177.20 1pfq s GLU 177 N -2.87 0.69 0.44 2.37 0.41 -1.26 -4.19 118.70 114.28 1pfq s GLU 177 Ca -0.05 -0.77 0.14 0.00 -0.41 0.00 0.00 54.97 53.87 1pfq s GLU 177 Cb 0.08 -0.59 1.04 0.00 -1.78 0.00 0.00 34.13 32.87 1pfq s GLU 177 CO 0.88 0.13 2.00 -1.35 -0.49 0.00 0.00 175.26 176.43 1pfq h PRO 178 N 4.63 0.38 -0.64 0.39 0.11 -1.86 -1.69 132.00 133.32 1pfq h PRO 178 Ca -0.37 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 1pfq h PRO 178 Cb 1.19 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 1pfq h PRO 178 CO 0.42 0.25 0.14 -1.71 -0.21 0.00 0.00 178.00 176.89 1pfq n ASN 179 N -4.47 5.18 -4.58 -2.05 4.05 -1.26 -4.90 115.26 107.23 1pfq n ASN 179 Ca 0.08 -3.10 -0.24 0.00 0.45 0.00 0.00 54.58 51.77 1pfq n ASN 179 Cb 0.33 -0.71 -0.09 0.00 1.23 0.00 0.00 39.78 40.54 1pfq n ASN 179 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1pfq s LEU 180 N -2.90 2.90 0.75 1.20 1.02 -0.64 -5.01 118.68 116.00 1pfq s LEU 180 Ca 0.54 -0.94 -0.13 0.00 0.02 0.00 0.00 54.13 53.63 1pfq s LEU 180 Cb 0.43 -1.34 0.05 0.00 0.02 0.00 0.00 46.19 45.35 1pfq s LEU 180 CO 0.14 -0.10 1.12 -2.16 0.02 0.00 0.00 176.35 175.37 1pfq s PRO 181 N -3.64 2.24 0.27 1.29 0.04 -1.26 -4.79 135.00 129.15 1pfq s PRO 181 Ca 0.32 1.38 -0.25 0.00 0.04 0.00 0.00 61.00 62.50 1pfq s PRO 181 Cb -0.03 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1pfq s PRO 181 CO 0.18 -1.68 0.87 -1.12 0.04 0.00 0.00 177.00 175.28 1pfq s SER 182 N -2.83 7.31 -0.24 6.66 0.01 -1.26 -4.63 113.70 118.73 1pfq s SER 182 Ca 0.66 1.72 -0.08 0.00 1.31 0.00 0.00 55.95 59.56 1pfq s SER 182 Cb -0.21 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 1pfq s SER 182 CO 0.50 0.02 0.09 -0.31 0.41 0.00 0.00 173.24 173.95 1pfq s TYR 183 N -1.48 3.14 0.03 2.43 2.02 0.33 -4.93 117.35 118.88 1pfq s TYR 183 Ca 0.45 -0.23 -0.30 0.00 -0.37 0.00 0.00 57.07 56.62 1pfq s TYR 183 Cb -0.20 -2.23 -0.05 0.00 -0.40 0.00 0.00 41.96 39.09 1pfq s TYR 183 CO 0.24 -0.22 1.19 0.50 -1.57 0.00 0.00 175.55 175.70 1pfq s ARG 184 N 1.38 4.42 -0.21 -0.62 3.52 -1.26 -1.34 118.95 124.82 1pfq s ARG 184 Ca 0.06 1.73 0.07 0.00 -0.13 0.00 0.00 55.73 57.45 1pfq s ARG 184 Cb -0.15 -3.41 -0.18 0.00 -1.56 0.00 0.00 34.95 29.65 1pfq s ARG 184 CO 0.04 -0.30 -0.11 -0.89 -0.81 0.00 0.00 175.30 173.23 1pfq n ILE 185 N 4.12 1.31 -4.35 4.11 2.08 -0.10 -4.70 119.36 121.82 1pfq n ILE 185 Ca 0.09 -0.60 -0.26 0.00 0.56 0.00 0.00 62.75 62.55 1pfq n ILE 185 Cb 0.47 -1.05 -0.12 0.00 -0.75 0.00 0.00 39.64 38.18 1pfq n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1pfq s THR 186 N -2.46 2.03 0.00 1.39 -4.23 -1.23 -4.90 115.64 106.26 1pfq s THR 186 Ca -0.24 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1pfq s THR 186 Cb 0.07 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1pfq s THR 186 CO 0.61 -0.07 0.32 0.79 -0.54 0.00 0.00 174.62 175.73 1pfq n TRP 187 N 0.73 0.00 1.11 3.99 7.02 -1.26 -4.53 117.44 124.50 1pfq n TRP 187 Ca -0.17 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.43 1pfq n TRP 187 Cb 0.54 0.00 0.18 0.00 -2.42 0.00 0.00 31.31 29.61 1pfq n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1pfq n THR 188 N -0.09 0.00 -1.69 -0.99 -2.24 -1.26 -4.99 114.28 103.02 1pfq n THR 188 Ca 0.00 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1pfq n THR 188 Cb 0.06 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 1pfq n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pfq n GLY 189 N 1.39 0.68 3.47 3.38 0.00 -1.26 -4.72 105.19 108.13 1pfq n GLY 189 Ca 0.10 0.40 -0.05 0.00 0.00 0.00 0.00 46.02 46.46 1pfq n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pfq s LYS 190 N -1.21 0.48 0.07 1.61 2.20 -0.91 -4.91 119.74 117.06 1pfq s LYS 190 Ca 0.61 1.21 -0.37 0.00 -0.36 0.00 0.00 55.97 57.06 1pfq s LYS 190 Cb -0.60 0.51 -0.18 0.00 -1.51 0.00 0.00 37.83 36.06 1pfq s LYS 190 CO 0.56 -0.21 1.25 -1.91 -0.36 0.00 0.00 175.35 174.69 1pfq n GLU 191 N 5.20 0.82 -0.93 4.03 2.13 -1.26 -0.68 120.64 129.95 1pfq n GLU 191 Ca -0.12 0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1pfq n GLU 191 Cb 0.51 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.33 1pfq n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pfq n ASP 192 N 2.22 -3.88 0.07 4.31 8.00 -1.26 -4.66 116.55 121.35 1pfq n ASP 192 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1pfq n ASP 192 Cb 0.16 -2.24 0.00 0.00 -0.02 0.00 0.00 41.12 39.02 1pfq n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1pfq n ILE 193 N -2.28 0.29 -4.32 0.53 5.41 0.14 -4.76 119.36 114.37 1pfq n ILE 193 Ca 0.00 0.10 -0.34 0.00 1.00 0.00 0.00 62.75 63.51 1pfq n ILE 193 Cb 0.25 -0.72 -0.13 0.00 -0.71 0.00 0.00 39.64 38.33 1pfq n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1pfq s ILE 194 N -1.60 3.57 -0.26 1.39 -1.09 -0.25 -0.69 121.20 122.28 1pfq s ILE 194 Ca 0.00 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 57.97 1pfq s ILE 194 Cb 0.00 -2.57 0.05 0.00 -1.58 0.00 0.00 42.46 38.36 1pfq s ILE 194 CO 0.00 0.47 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.78 1pfq s TYR 195 N 0.73 3.19 -0.26 3.97 1.51 -0.20 -2.15 117.35 124.14 1pfq s TYR 195 Ca -0.03 -2.06 -0.10 0.00 -1.01 0.00 0.00 57.07 53.88 1pfq s TYR 195 Cb -0.15 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1pfq s TYR 195 CO 0.02 -0.84 0.15 -0.80 -1.11 0.00 0.00 175.55 172.97 1pfq s ASN 196 N 1.18 5.79 0.00 2.29 -0.87 -0.93 -1.03 114.94 121.38 1pfq s ASN 196 Ca -0.05 -0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 1pfq s ASN 196 Cb -0.19 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 38.98 1pfq s ASN 196 CO -0.05 -0.01 0.00 0.61 -2.57 0.00 0.00 177.10 175.08 1pfq n GLY 197 N 4.80 1.67 3.14 0.66 0.00 -0.89 -4.40 105.19 110.16 1pfq n GLY 197 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1pfq n GLY 197 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pfq s ILE 198 N -3.62 0.73 0.45 -0.61 2.07 -1.26 -0.10 121.20 118.86 1pfq s ILE 198 Ca 0.00 -1.56 -0.11 0.00 -1.41 0.00 0.00 60.65 57.57 1pfq s ILE 198 Cb 0.00 -1.23 -0.06 0.00 0.13 0.00 0.00 42.46 41.30 1pfq s ILE 198 CO 0.00 -0.61 0.82 0.42 -1.91 0.00 0.00 174.94 173.66 1pfq s THR 199 N -2.50 4.77 0.51 4.00 -4.23 -0.10 -4.73 115.64 113.35 1pfq s THR 199 Ca 0.03 0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 61.12 1pfq s THR 199 Cb -0.02 -3.76 0.11 0.00 1.34 0.00 0.00 72.50 70.17 1pfq s THR 199 CO -0.02 -0.64 0.69 -0.90 -0.54 0.00 0.00 174.62 173.22 1pfq n ASP 200 N -1.58 0.25 0.17 3.99 3.85 -1.26 -4.78 116.55 117.19 1pfq n ASP 200 Ca 0.03 -1.37 -0.14 0.00 -0.71 0.00 0.00 54.79 52.60 1pfq n ASP 200 Cb 0.54 -0.51 -0.07 0.00 -1.35 0.00 0.00 41.12 39.73 1pfq n ASP 200 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.20 175.94 1pfq h TRP 201 N -1.17 -0.51 -0.18 2.11 7.01 -2.00 -0.77 115.95 120.45 1pfq h TRP 201 Ca -0.22 -0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.66 1pfq h TRP 201 Cb 0.67 0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 1pfq h TRP 201 CO 0.00 -0.30 -0.38 -0.24 -2.79 0.00 0.00 178.44 174.74 1pfq h VAL 202 N -0.45 1.30 -0.25 2.65 3.04 -1.95 -0.84 116.25 119.74 1pfq h VAL 202 Ca -0.01 -1.48 -0.19 0.00 -1.01 0.00 0.00 66.70 64.01 1pfq h VAL 202 Cb 0.40 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1pfq h VAL 202 CO -0.01 0.46 -0.58 1.88 -1.01 0.00 0.00 177.57 178.30 1pfq h TYR 203 N 0.33 1.04 -0.12 3.17 -1.99 -1.90 -0.58 116.97 116.90 1pfq h TYR 203 Ca 0.03 -0.38 -0.00 0.00 2.00 0.00 0.00 58.73 60.38 1pfq h TYR 203 Cb 0.81 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.35 1pfq h TYR 203 CO 0.02 1.20 0.07 1.49 -0.00 0.00 0.00 178.16 180.94 1pfq h GLU 204 N 0.62 0.17 0.08 4.88 4.81 -0.76 0.17 114.58 124.54 1pfq h GLU 204 Ca 0.00 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1pfq h GLU 204 Cb 1.18 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.55 1pfq h GLU 204 CO 0.13 0.20 -0.63 1.49 -0.73 0.00 0.00 179.01 179.46 1pfq h GLU 205 N 0.10 0.29 0.00 1.92 4.57 -1.18 -2.46 114.58 117.83 1pfq h GLU 205 Ca 0.04 -0.42 -0.22 0.00 -1.18 0.00 0.00 59.36 57.58 1pfq h GLU 205 Cb 0.07 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1pfq h GLU 205 CO -0.01 1.15 -1.84 0.39 -1.18 0.00 0.00 179.01 177.52 1pfq n GLU 206 N -4.23 1.75 -0.05 1.92 -0.58 -0.23 -4.45 120.64 114.77 1pfq n GLU 206 Ca -0.12 0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.58 1pfq n GLU 206 Cb 0.72 -1.31 -0.01 0.00 -0.57 0.00 0.00 31.44 30.27 1pfq n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1pfq n VAL 207 N -2.53 0.79 0.08 2.62 0.31 -1.07 -4.72 118.33 113.81 1pfq n VAL 207 Ca -0.21 0.32 0.03 0.00 -0.01 0.00 0.00 64.34 64.46 1pfq n VAL 207 Cb 0.88 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 1pfq n VAL 207 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1pfq h PHE 208 N -0.53 0.00 -4.49 3.52 0.05 -0.90 -3.48 116.94 111.10 1pfq h PHE 208 Ca 0.00 0.00 -0.41 0.00 3.82 0.00 0.00 57.97 61.38 1pfq h PHE 208 Cb 0.49 0.00 0.06 0.00 2.00 0.00 0.00 35.95 38.49 1pfq h PHE 208 CO -0.21 0.44 -0.61 0.43 -0.18 0.00 0.00 178.31 178.18 1pfq n SER 209 N -2.94 -6.09 -3.50 2.17 7.64 -0.96 -4.97 113.62 104.96 1pfq n SER 209 Ca -0.05 -0.29 -0.10 0.00 1.01 0.00 0.00 58.87 59.44 1pfq n SER 209 Cb 0.75 -4.93 -0.02 0.00 -1.01 0.00 0.00 64.21 59.01 1pfq n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pfq s ALA 210 N -3.18 -1.64 0.08 -0.43 0.00 -0.99 -5.00 121.76 110.60 1pfq s ALA 210 Ca 0.30 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.87 1pfq s ALA 210 Cb -0.14 0.74 -0.23 0.00 0.00 0.00 0.00 23.12 23.49 1pfq s ALA 210 CO 0.38 -0.78 1.12 -0.92 0.00 0.00 0.00 175.76 175.55 1pfq h TYR 211 N 2.00 0.15 -3.85 0.00 -0.00 -1.86 -3.37 116.97 110.04 1pfq h TYR 211 Ca -0.29 -0.11 -0.51 0.00 -0.00 0.00 0.00 58.73 57.82 1pfq h TYR 211 Cb 1.28 -0.01 0.03 0.00 -0.00 0.00 0.00 36.73 38.04 1pfq h TYR 211 CO 0.26 1.10 0.52 0.45 -0.00 0.00 0.00 178.16 180.49 1pfq s SER 212 N -6.74 7.03 -0.34 -2.11 0.15 -1.26 -0.92 113.70 109.50 1pfq s SER 212 Ca -0.02 2.38 0.15 0.00 0.70 0.00 0.00 55.95 59.17 1pfq s SER 212 Cb 0.09 -2.63 0.46 0.00 -1.71 0.00 0.00 66.02 62.23 1pfq s SER 212 CO 0.84 -0.32 1.01 0.00 1.20 0.00 0.00 173.24 175.97 1pfq n ALA 213 N 0.90 3.73 -2.87 5.45 0.00 0.86 -4.64 120.51 123.95 1pfq n ALA 213 Ca 0.00 -3.36 -0.13 0.00 0.00 0.00 0.00 53.44 49.95 1pfq n ALA 213 Cb 0.44 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.95 1pfq n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1pfq s LEU 214 N -3.32 2.20 -0.19 0.00 0.05 -1.25 -1.93 118.68 114.24 1pfq s LEU 214 Ca 0.32 -0.43 -0.04 0.00 0.05 0.00 0.00 54.13 54.04 1pfq s LEU 214 Cb 0.43 -0.12 0.06 0.00 -2.05 0.00 0.00 46.19 44.51 1pfq s LEU 214 CO -0.02 -0.17 0.06 0.26 -0.55 0.00 0.00 176.35 175.93 1pfq s TRP 215 N -1.11 0.70 0.44 3.48 0.51 0.19 -4.98 118.94 118.17 1pfq s TRP 215 Ca -0.09 -0.66 -0.24 0.00 -2.12 0.00 0.00 56.10 52.99 1pfq s TRP 215 Cb -0.08 -0.90 -0.08 0.00 -0.81 0.00 0.00 33.47 31.60 1pfq s TRP 215 CO 0.00 -0.58 1.22 -1.58 -0.51 0.00 0.00 176.95 175.51 1pfq s TRP 216 N 1.97 2.86 0.78 -1.98 0.52 -1.26 -0.65 118.94 121.17 1pfq s TRP 216 Ca 0.00 1.49 -0.11 0.00 0.02 0.00 0.00 56.10 57.51 1pfq s TRP 216 Cb -0.17 -3.51 0.06 0.00 -1.15 0.00 0.00 33.47 28.71 1pfq s TRP 216 CO -0.09 -1.75 1.08 -1.54 0.02 0.00 0.00 176.95 174.67 1pfq s SER 217 N -1.08 4.58 0.48 2.95 1.04 -0.25 -4.92 113.70 116.50 1pfq s SER 217 Ca 0.61 1.59 0.17 0.00 0.48 0.00 0.00 55.95 58.79 1pfq s SER 217 Cb -0.33 -2.34 1.17 0.00 0.10 0.00 0.00 66.02 64.62 1pfq s SER 217 CO 0.41 -1.95 2.04 -0.65 0.98 0.00 0.00 173.24 174.07 1pfq h PRO 218 N -1.07 0.20 0.88 4.02 0.11 -1.90 -3.30 132.00 130.93 1pfq h PRO 218 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1pfq h PRO 218 Cb 1.24 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.32 1pfq h PRO 218 CO 0.55 0.13 -0.42 -0.97 -0.21 0.00 0.00 178.00 177.08 1pfq h ASN 219 N 0.21 -1.00 -3.44 -2.05 -1.24 -1.92 -3.38 115.58 102.75 1pfq h ASN 219 Ca 0.18 0.03 -0.60 0.00 0.71 0.00 0.00 56.30 56.62 1pfq h ASN 219 Cb 0.45 0.26 -0.37 0.00 0.73 0.00 0.00 38.32 39.39 1pfq h ASN 219 CO -0.03 -0.70 -0.80 -0.83 -1.29 0.00 0.00 177.43 173.78 1pfq s GLY 220 N -1.96 1.22 0.05 1.57 0.00 -1.24 -4.31 107.32 102.64 1pfq s GLY 220 Ca -0.17 -1.16 0.08 0.00 0.00 0.00 0.00 44.72 43.46 1pfq s GLY 220 CO 0.52 0.78 1.01 -0.84 0.00 0.00 0.00 173.10 174.57 1pfq h THR 221 N 6.44 1.34 -3.37 0.90 2.02 -1.92 -3.45 112.91 114.87 1pfq h THR 221 Ca -0.25 -3.09 -0.67 0.00 0.77 0.00 0.00 66.41 63.16 1pfq h THR 221 Cb 1.10 2.69 -0.14 0.00 -1.74 0.00 0.00 68.15 70.05 1pfq h THR 221 CO 0.45 0.78 -0.64 -0.36 0.37 0.00 0.00 175.52 176.12 1pfq s PHE 222 N -2.66 3.09 -0.26 3.16 0.08 -1.26 0.03 117.98 120.16 1pfq s PHE 222 Ca -0.02 0.11 -0.02 0.00 0.12 0.00 0.00 56.93 57.12 1pfq s PHE 222 Cb 0.09 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1pfq s PHE 222 CO 0.83 0.46 -0.05 -1.17 -0.10 0.00 0.00 175.22 175.19 1pfq s LEU 223 N -1.34 3.33 0.03 -0.37 2.96 -0.58 -1.09 118.68 121.63 1pfq s LEU 223 Ca 0.17 -0.94 -0.14 0.00 -0.22 0.00 0.00 54.13 53.00 1pfq s LEU 223 Cb -0.11 -1.68 -0.06 0.00 0.50 0.00 0.00 46.19 44.84 1pfq s LEU 223 CO 0.08 -0.15 0.43 0.00 -1.32 0.00 0.00 176.35 175.39 1pfq s ALA 224 N 1.32 3.68 0.05 5.97 0.00 0.18 -1.36 121.76 131.60 1pfq s ALA 224 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 1pfq s ALA 224 Cb -0.17 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.55 1pfq s ALA 224 CO -0.04 0.49 0.21 1.52 0.00 0.00 0.00 175.76 177.94 1pfq s TYR 225 N -1.16 0.04 0.07 0.00 1.13 -0.15 0.52 117.35 117.80 1pfq s TYR 225 Ca 0.27 -0.26 0.03 0.00 -1.41 0.00 0.00 57.07 55.69 1pfq s TYR 225 Cb -0.16 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 1pfq s TYR 225 CO 0.15 -0.45 0.06 0.00 -2.51 0.00 0.00 175.55 172.80 1pfq s ALA 226 N -2.68 3.52 -0.11 9.51 0.00 -0.81 -0.77 121.76 130.41 1pfq s ALA 226 Ca -0.04 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1pfq s ALA 226 Cb -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1pfq s ALA 226 CO -0.04 0.73 -0.23 -1.14 0.00 0.00 0.00 175.76 175.08 1pfq s GLN 227 N -2.27 3.08 -0.09 0.00 0.74 -0.41 -2.10 119.66 118.62 1pfq s GLN 227 Ca 0.28 -0.86 -0.00 0.00 0.05 0.00 0.00 55.36 54.83 1pfq s GLN 227 Cb -0.12 -2.35 -0.03 0.00 1.10 0.00 0.00 33.01 31.61 1pfq s GLN 227 CO 0.20 0.15 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.96 1pfq s PHE 228 N 0.42 2.95 -0.27 1.67 0.08 -0.20 -1.03 117.98 121.60 1pfq s PHE 228 Ca -0.16 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.82 1pfq s PHE 228 Cb -0.17 -1.77 0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1pfq s PHE 228 CO 0.07 0.22 -0.08 1.21 -0.10 0.00 0.00 175.22 176.54 1pfq s ASN 229 N -0.50 4.51 -0.24 1.36 3.84 -0.47 -1.03 114.94 122.41 1pfq s ASN 229 Ca 0.07 -1.32 0.14 0.00 0.21 0.00 0.00 52.86 51.96 1pfq s ASN 229 Cb -0.12 -1.59 0.63 0.00 -0.55 0.00 0.00 41.25 39.62 1pfq s ASN 229 CO 0.02 -0.20 1.58 0.47 -2.79 0.00 0.00 177.10 176.18 1pfq n ASP 230 N 4.50 4.24 -0.25 -4.21 9.92 0.14 -2.59 116.55 128.30 1pfq n ASP 230 Ca -0.14 -3.16 0.04 0.00 -0.53 0.00 0.00 54.79 51.00 1pfq n ASP 230 Cb 0.43 -0.63 0.16 0.00 -0.64 0.00 0.00 41.12 40.44 1pfq n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1pfq h THR 231 N 2.26 0.71 -0.63 -3.53 2.02 -1.88 -2.21 112.91 109.66 1pfq h THR 231 Ca 0.10 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1pfq h THR 231 Cb 1.79 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1pfq h THR 231 CO 0.42 0.09 0.00 1.21 0.37 0.00 0.00 175.52 177.60 1pfq n GLU 232 N -4.97 2.92 -2.80 6.66 0.00 -1.26 -4.92 120.64 116.27 1pfq n GLU 232 Ca 0.13 -2.57 -0.42 0.00 0.00 0.00 0.00 57.16 54.30 1pfq n GLU 232 Cb 0.36 -1.55 -0.03 0.00 0.00 0.00 0.00 31.44 30.22 1pfq n GLU 232 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1pfq s VAL 233 N -1.16 4.85 0.68 6.31 1.01 -0.83 -4.76 120.40 126.49 1pfq s VAL 233 Ca 0.43 1.84 -0.17 0.00 0.00 0.00 0.00 61.98 64.08 1pfq s VAL 233 Cb 0.24 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1pfq s VAL 233 CO 0.28 0.05 1.27 -2.84 0.00 0.00 0.00 175.10 173.85 1pfq s PRO 234 N 1.88 2.40 -0.04 2.72 0.02 -1.26 -4.70 135.00 136.02 1pfq s PRO 234 Ca 0.44 1.98 -0.15 0.00 0.02 0.00 0.00 61.00 63.29 1pfq s PRO 234 Cb -0.18 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 1pfq s PRO 234 CO 0.17 -1.69 0.41 -0.51 -0.33 0.00 0.00 177.00 175.05 1pfq s LEU 235 N -4.62 4.41 -0.01 -5.54 2.01 -1.26 -1.75 118.68 111.92 1pfq s LEU 235 Ca 0.80 0.89 -0.29 0.00 0.01 0.00 0.00 54.13 55.54 1pfq s LEU 235 Cb -0.35 -2.59 -0.03 0.00 0.01 0.00 0.00 46.19 43.23 1pfq s LEU 235 CO 0.41 0.23 0.93 -0.51 1.01 0.00 0.00 176.35 178.42 1pfq s ILE 236 N -0.54 4.89 -0.10 -0.59 -1.16 0.03 -4.89 121.20 118.84 1pfq s ILE 236 Ca 0.24 1.95 0.02 0.00 -0.51 0.00 0.00 60.65 62.35 1pfq s ILE 236 Cb -0.16 -4.27 -0.02 0.00 0.61 0.00 0.00 42.46 38.62 1pfq s ILE 236 CO 0.12 0.18 -0.16 -1.61 -2.81 0.00 0.00 174.94 170.66 1pfq s GLU 237 N 0.93 3.02 0.10 3.50 2.02 -1.26 -1.62 118.70 125.40 1pfq s GLU 237 Ca 0.49 -0.73 -0.07 0.00 0.02 0.00 0.00 54.97 54.69 1pfq s GLU 237 Cb -0.21 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 1pfq s GLU 237 CO 0.26 0.35 0.17 1.52 0.02 0.00 0.00 175.26 177.58 1pfq s TYR 238 N -0.02 0.31 0.13 1.61 -0.85 -0.71 -4.97 117.35 112.85 1pfq s TYR 238 Ca -0.04 -0.74 -0.24 0.00 -0.52 0.00 0.00 57.07 55.52 1pfq s TYR 238 Cb -0.14 -0.13 -0.07 0.00 0.38 0.00 0.00 41.96 41.99 1pfq s TYR 238 CO 0.04 -0.56 0.74 -1.12 -1.52 0.00 0.00 175.55 173.13 1pfq s SER 239 N -2.91 7.31 -0.13 -0.18 0.01 -1.26 0.18 113.70 116.72 1pfq s SER 239 Ca 0.10 1.55 0.02 0.00 1.31 0.00 0.00 55.95 58.93 1pfq s SER 239 Cb 0.05 -2.47 -0.00 0.00 0.21 0.00 0.00 66.02 63.81 1pfq s SER 239 CO -0.07 0.18 -0.19 0.12 0.41 0.00 0.00 173.24 173.69 1pfq s PHE 240 N -0.94 2.69 -0.17 2.43 2.19 0.12 -4.74 117.98 119.57 1pfq s PHE 240 Ca 0.35 -1.00 0.15 0.00 0.33 0.00 0.00 56.93 56.76 1pfq s PHE 240 Cb -0.22 -1.80 -0.24 0.00 -1.31 0.00 0.00 43.02 39.45 1pfq s PHE 240 CO 0.25 -0.42 0.19 0.66 1.83 0.00 0.00 175.22 177.73 1pfq n TYR 241 N 3.75 0.26 -4.87 10.12 4.02 -1.26 -1.41 117.16 127.77 1pfq n TYR 241 Ca -0.19 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1pfq n TYR 241 Cb 0.52 -1.05 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 1pfq n TYR 241 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1pfq n SER 242 N -2.87 -2.64 -4.62 7.72 2.88 -1.26 -4.71 113.62 108.12 1pfq n SER 242 Ca -0.30 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.84 1pfq n SER 242 Cb 1.12 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.61 1pfq n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1pfq n ASP 243 N -2.60 1.24 -0.35 -3.46 8.00 -1.26 -4.85 116.55 113.27 1pfq n ASP 243 Ca 0.00 0.97 0.37 0.00 0.71 0.00 0.00 54.79 56.83 1pfq n ASP 243 Cb 0.00 -1.38 0.74 0.00 -0.02 0.00 0.00 41.12 40.46 1pfq n ASP 243 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1pfq h GLU 244 N 1.26 0.00 0.00 -1.24 4.81 -2.05 -0.54 114.58 116.82 1pfq h GLU 244 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1pfq h GLU 244 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1pfq h GLU 244 CO 0.55 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.49 1pfq h SER 245 N 0.00 0.00 -2.75 1.04 4.64 -1.93 -3.43 113.55 111.13 1pfq h SER 245 Ca 0.60 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.35 1pfq h SER 245 Cb 2.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.54 1pfq h SER 245 CO -0.01 0.00 1.17 -0.22 -0.87 0.00 0.00 176.83 176.91 1pfq s LEU 246 N -5.16 3.77 0.09 5.97 0.20 -0.21 -4.89 118.68 118.46 1pfq s LEU 246 Ca 0.07 1.51 -0.13 0.00 0.69 0.00 0.00 54.13 56.26 1pfq s LEU 246 Cb 0.09 -3.53 -0.16 0.00 -0.43 0.00 0.00 46.19 42.17 1pfq s LEU 246 CO 0.55 -1.40 1.30 -0.61 -0.29 0.00 0.00 176.35 175.90 1pfq h GLN 247 N 11.40 0.77 -5.28 1.98 4.15 -1.88 -3.43 115.11 122.83 1pfq h GLN 247 Ca -0.34 -0.61 -0.66 0.00 0.77 0.00 0.00 58.65 57.81 1pfq h GLN 247 Cb 1.16 0.12 -0.28 0.00 0.21 0.00 0.00 27.48 28.70 1pfq h GLN 247 CO 1.01 1.23 -0.77 0.71 -1.93 0.00 0.00 178.83 179.08 1pfq s TYR 248 N -3.77 2.81 0.45 3.99 1.51 -1.26 -5.10 117.35 115.98 1pfq s TYR 248 Ca -0.11 -0.73 -0.25 0.00 -1.01 0.00 0.00 57.07 54.97 1pfq s TYR 248 Cb 0.08 -1.87 -0.08 0.00 -0.11 0.00 0.00 41.96 39.99 1pfq s TYR 248 CO 0.89 -0.28 1.37 -2.14 -1.11 0.00 0.00 175.55 174.28 1pfq s PRO 249 N 0.50 3.71 -0.05 -1.71 0.02 -1.26 -5.00 135.00 131.20 1pfq s PRO 249 Ca -0.09 2.28 -0.03 0.00 0.02 0.00 0.00 61.00 63.18 1pfq s PRO 249 Cb -0.16 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 1pfq s PRO 249 CO 0.04 -0.75 0.11 -1.59 -0.33 0.00 0.00 177.00 174.48 1pfq s LYS 250 N -2.46 3.24 -0.29 5.54 -2.85 -0.50 -4.91 119.74 117.52 1pfq s LYS 250 Ca 0.61 -0.34 -0.18 0.00 -1.00 0.00 0.00 55.97 55.06 1pfq s LYS 250 Cb -0.41 -3.00 -0.02 0.00 -2.06 0.00 0.00 37.83 32.35 1pfq s LYS 250 CO 0.52 0.70 0.52 0.99 0.10 0.00 0.00 175.35 178.17 1pfq s THR 251 N -1.14 5.05 0.01 3.79 2.01 -1.26 0.16 115.64 124.25 1pfq s THR 251 Ca 0.20 0.71 -0.25 0.00 0.31 0.00 0.00 61.69 62.67 1pfq s THR 251 Cb -0.12 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1pfq s THR 251 CO 0.11 -0.02 0.76 -0.69 -0.69 0.00 0.00 174.62 174.09 1pfq s VAL 252 N 2.35 4.84 -0.18 3.82 1.01 0.13 -4.91 120.40 127.46 1pfq s VAL 252 Ca 0.21 1.60 -0.00 0.00 0.00 0.00 0.00 61.98 63.78 1pfq s VAL 252 Cb -0.15 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.17 1pfq s VAL 252 CO 0.11 0.32 -0.06 -0.13 0.00 0.00 0.00 175.10 175.34 1pfq s ARG 253 N 0.27 1.49 -0.08 2.72 0.52 -1.26 -1.74 118.95 120.87 1pfq s ARG 253 Ca 0.39 -0.60 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 1pfq s ARG 253 Cb -0.20 -2.12 0.02 0.00 0.52 0.00 0.00 34.95 33.17 1pfq s ARG 253 CO 0.22 -0.46 -0.11 0.08 0.02 0.00 0.00 175.30 175.05 1pfq s VAL 254 N 1.59 1.13 -0.07 3.52 1.01 -0.64 -4.97 120.40 121.97 1pfq s VAL 254 Ca -0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 1pfq s VAL 254 Cb -0.16 -1.06 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 1pfq s VAL 254 CO -0.08 0.36 1.88 -2.84 0.00 0.00 0.00 175.10 174.43 1pfq s PRO 255 N 0.95 3.91 -0.21 2.72 0.02 -1.26 -0.79 135.00 140.34 1pfq s PRO 255 Ca -0.09 2.25 -0.04 0.00 0.02 0.00 0.00 61.00 63.14 1pfq s PRO 255 Cb -0.15 -4.14 0.11 0.00 0.02 0.00 0.00 34.50 30.34 1pfq s PRO 255 CO 0.00 -1.20 0.31 -0.47 -0.33 0.00 0.00 177.00 175.32 1pfq s TYR 256 N 5.18 -0.59 -0.38 6.54 6.14 -0.72 -4.49 117.35 129.04 1pfq s TYR 256 Ca 0.84 0.70 -0.29 0.00 0.64 0.00 0.00 57.07 58.96 1pfq s TYR 256 Cb -0.36 -0.09 0.02 0.00 0.42 0.00 0.00 41.96 41.95 1pfq s TYR 256 CO 0.36 -0.61 1.11 -1.25 0.64 0.00 0.00 175.55 175.79 1pfq s PRO 257 N 2.46 3.93 0.73 4.97 0.04 -1.26 -4.57 135.00 141.30 1pfq s PRO 257 Ca 0.08 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 1pfq s PRO 257 Cb -0.15 -3.81 0.08 0.00 0.04 0.00 0.00 34.50 30.66 1pfq s PRO 257 CO -0.13 -1.10 1.05 0.15 0.04 0.00 0.00 177.00 177.01 1pfq s LYS 258 N 3.99 2.02 -0.27 4.56 1.02 -1.26 -0.75 119.74 129.05 1pfq s LYS 258 Ca 0.47 -0.31 -0.35 0.00 0.02 0.00 0.00 55.97 55.81 1pfq s LYS 258 Cb -0.10 -2.14 -0.11 0.00 -0.52 0.00 0.00 37.83 34.95 1pfq s LYS 258 CO 0.22 -1.37 2.09 0.00 -0.92 0.00 0.00 175.35 175.37 1pfq n ALA 259 N -3.01 1.00 -1.79 5.17 0.00 0.13 -1.49 120.51 120.54 1pfq n ALA 259 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1pfq n ALA 259 Cb 0.60 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1pfq n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pfq n GLY 260 N 5.77 0.63 3.69 0.00 0.00 -1.26 -4.80 105.19 109.22 1pfq n GLY 260 Ca 0.34 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 1pfq n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfq n ALA 261 N -1.14 0.73 -2.04 4.61 0.00 -0.55 -5.01 120.51 117.10 1pfq n ALA 261 Ca 0.00 -2.18 -0.42 0.00 0.00 0.00 0.00 53.44 50.83 1pfq n ALA 261 Cb 0.43 0.98 -0.03 0.00 0.00 0.00 0.00 19.45 20.83 1pfq n ALA 261 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pfq s VAL 262 N -2.71 3.62 0.41 0.00 1.01 -1.26 -4.91 120.40 116.56 1pfq s VAL 262 Ca 0.23 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 1pfq s VAL 262 Cb -0.02 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1pfq s VAL 262 CO 0.14 -0.06 0.68 0.20 0.00 0.00 0.00 175.10 176.06 1pfq s ASN 263 N 3.16 6.30 0.52 3.32 0.02 -1.26 -4.45 114.94 122.55 1pfq s ASN 263 Ca 0.72 0.74 -0.22 0.00 -1.02 0.00 0.00 52.86 53.08 1pfq s ASN 263 Cb -0.33 -2.16 -0.06 0.00 0.02 0.00 0.00 41.25 38.73 1pfq s ASN 263 CO 0.28 -0.44 1.26 -2.16 0.02 0.00 0.00 177.10 176.07 1pfq s PRO 264 N -4.46 3.35 0.20 -0.60 0.04 -1.26 -4.82 135.00 127.44 1pfq s PRO 264 Ca 0.44 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.49 1pfq s PRO 264 Cb -0.10 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1pfq s PRO 264 CO 0.40 -0.95 0.36 0.95 0.04 0.00 0.00 177.00 177.80 1pfq s THR 265 N -1.44 5.25 0.01 1.26 -4.23 -1.07 -4.93 115.64 110.48 1pfq s THR 265 Ca 0.69 -0.55 0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1pfq s THR 265 Cb -0.34 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 69.72 1pfq s THR 265 CO 0.40 -0.19 -0.20 0.54 -0.54 0.00 0.00 174.62 174.64 1pfq s VAL 266 N -1.87 1.59 0.34 2.29 0.11 -1.26 -1.37 120.40 120.24 1pfq s VAL 266 Ca 0.37 -0.98 0.09 0.00 -2.93 0.00 0.00 61.98 58.53 1pfq s VAL 266 Cb -0.11 -1.35 -0.06 0.00 -1.53 0.00 0.00 36.38 33.34 1pfq s VAL 266 CO 0.29 0.35 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.86 1pfq s LYS 267 N -0.73 2.03 -0.02 1.54 1.02 -0.20 -4.98 119.74 118.39 1pfq s LYS 267 Ca 0.07 -1.79 0.01 0.00 0.02 0.00 0.00 55.97 54.29 1pfq s LYS 267 Cb -0.08 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1pfq s LYS 267 CO 0.00 0.13 -0.04 0.12 -0.92 0.00 0.00 175.35 174.64 1pfq s PHE 268 N -2.54 0.54 0.10 3.18 2.19 -1.26 -1.28 117.98 118.91 1pfq s PHE 268 Ca 0.34 -0.11 0.01 0.00 0.33 0.00 0.00 56.93 57.50 1pfq s PHE 268 Cb 0.00 -0.43 -0.04 0.00 -1.31 0.00 0.00 43.02 41.24 1pfq s PHE 268 CO 0.19 -0.08 -0.03 -0.06 1.83 0.00 0.00 175.22 177.06 1pfq s PHE 269 N 0.36 0.84 -0.01 10.12 0.40 0.05 -1.49 117.98 128.24 1pfq s PHE 269 Ca -0.04 -1.01 -0.00 0.00 -0.60 0.00 0.00 56.93 55.28 1pfq s PHE 269 Cb -0.08 -0.50 0.01 0.00 0.51 0.00 0.00 43.02 42.96 1pfq s PHE 269 CO -0.00 -0.26 0.01 0.54 0.70 0.00 0.00 175.22 176.21 1pfq s VAL 270 N -3.75 -0.02 -0.05 -0.44 0.11 0.43 -0.98 120.40 115.70 1pfq s VAL 270 Ca 0.14 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1pfq s VAL 270 Cb 0.06 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.84 1pfq s VAL 270 CO -0.04 0.03 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.03 1pfq s VAL 271 N 0.34 3.96 -0.59 2.04 1.01 -0.46 -1.32 120.40 125.38 1pfq s VAL 271 Ca -0.03 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1pfq s VAL 271 Cb -0.04 -2.67 0.04 0.00 0.00 0.00 0.00 36.38 33.71 1pfq s VAL 271 CO -0.01 0.54 1.02 0.21 0.00 0.00 0.00 175.10 176.86 1pfq s ASN 272 N -1.03 6.32 0.33 3.32 3.84 -1.26 -1.52 114.94 124.93 1pfq s ASN 272 Ca 0.14 -0.37 0.15 0.00 0.21 0.00 0.00 52.86 52.99 1pfq s ASN 272 Cb -0.11 -2.47 0.55 0.00 -0.55 0.00 0.00 41.25 38.67 1pfq s ASN 272 CO 0.04 -1.36 1.69 0.74 -2.79 0.00 0.00 177.10 175.42 1pfq h THR 273 N 6.04 1.17 0.00 -5.21 2.02 -0.76 -2.10 112.91 114.07 1pfq h THR 273 Ca -0.26 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1pfq h THR 273 Cb 1.07 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1pfq h THR 273 CO 1.14 0.47 0.00 -0.67 0.37 0.00 0.00 175.52 176.83 1pfq n ASP 274 N -3.70 0.00 -0.15 4.18 2.03 -1.23 -2.49 116.55 115.19 1pfq n ASP 274 Ca -0.01 -0.23 0.11 0.00 0.52 0.00 0.00 54.79 55.18 1pfq n ASP 274 Cb 0.54 -0.17 -0.01 0.00 -0.72 0.00 0.00 41.12 40.76 1pfq n ASP 274 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1pfq n SER 275 N -1.17 1.21 -4.64 1.67 7.64 -0.79 -4.86 113.62 112.69 1pfq n SER 275 Ca 0.11 -1.04 -0.43 0.00 1.01 0.00 0.00 58.87 58.53 1pfq n SER 275 Cb 0.12 0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 64.01 1pfq n SER 275 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pfq s LEU 276 N -2.83 3.97 0.32 -3.43 1.43 -1.04 -4.71 118.68 112.39 1pfq s LEU 276 Ca 0.12 1.33 0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1pfq s LEU 276 Cb 0.17 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 1pfq s LEU 276 CO 0.75 -0.97 0.22 -0.44 0.23 0.00 0.00 176.35 176.13 1pfq s SER 277 N 2.47 1.64 0.55 2.29 0.01 -1.18 -4.98 113.70 114.49 1pfq s SER 277 Ca 0.55 -1.67 0.23 0.00 1.31 0.00 0.00 55.95 56.37 1pfq s SER 277 Cb -0.18 0.50 1.48 0.00 0.21 0.00 0.00 66.02 68.03 1pfq s SER 277 CO 0.20 -0.99 2.12 0.77 0.41 0.00 0.00 173.24 175.76 1pfq h SER 278 N 2.16 0.00 0.00 2.44 4.64 -2.03 -2.47 113.55 118.29 1pfq h SER 278 Ca -0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1pfq h SER 278 Cb 1.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 1pfq h SER 278 CO 0.44 0.00 -0.48 0.52 -0.87 0.00 0.00 176.83 176.44 1pfq n VAL 279 N -4.22 1.74 -3.67 0.95 0.31 -1.26 -5.00 118.33 107.18 1pfq n VAL 279 Ca 0.01 -2.61 -0.18 0.00 -0.01 0.00 0.00 64.34 61.54 1pfq n VAL 279 Cb 0.25 -0.03 -0.17 0.00 -0.91 0.00 0.00 33.84 32.98 1pfq n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1pfq s THR 280 N -2.57 -0.18 0.88 2.52 2.01 -0.93 -5.15 115.64 112.21 1pfq s THR 280 Ca 0.35 0.39 -0.12 0.00 0.31 0.00 0.00 61.69 62.62 1pfq s THR 280 Cb 0.34 -0.22 0.12 0.00 0.01 0.00 0.00 72.50 72.75 1pfq s THR 280 CO -0.06 0.17 1.10 0.21 -0.69 0.00 0.00 174.62 175.34 1pfq s ASN 281 N 2.23 3.64 -0.01 3.53 2.47 -1.26 -3.11 114.94 122.42 1pfq s ASN 281 Ca 0.04 1.38 -0.30 0.00 0.42 0.00 0.00 52.86 54.40 1pfq s ASN 281 Cb -0.12 -2.06 -0.03 0.00 -1.45 0.00 0.00 41.25 37.58 1pfq s ASN 281 CO -0.04 -2.52 1.04 0.00 -3.72 0.00 0.00 177.10 171.86 1pfq s ALA 282 N -3.01 3.27 -0.12 1.71 0.00 -1.26 -4.72 121.76 117.63 1pfq s ALA 282 Ca 0.63 0.58 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1pfq s ALA 282 Cb -0.17 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1pfq s ALA 282 CO 0.56 -0.37 -0.23 0.99 0.00 0.00 0.00 175.76 176.71 1pfq s THR 283 N 1.28 2.04 -0.43 0.00 2.01 -1.26 -5.05 115.64 114.23 1pfq s THR 283 Ca 0.53 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 1pfq s THR 283 Cb -0.22 -1.79 0.10 0.00 0.01 0.00 0.00 72.50 70.59 1pfq s THR 283 CO 0.26 0.55 0.27 -0.44 -0.69 0.00 0.00 174.62 174.57 1pfq s SER 284 N 0.60 5.56 -0.11 3.53 0.01 -1.26 -4.34 113.70 117.68 1pfq s SER 284 Ca -0.13 -1.72 -0.30 0.00 1.31 0.00 0.00 55.95 55.12 1pfq s SER 284 Cb -0.17 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 1pfq s SER 284 CO 0.03 -0.58 1.11 -0.63 0.41 0.00 0.00 173.24 173.59 1pfq s ILE 285 N 1.35 4.52 0.11 1.44 -1.09 -0.44 -4.79 121.20 122.29 1pfq s ILE 285 Ca 0.04 1.82 -0.26 0.00 -2.23 0.00 0.00 60.65 60.02 1pfq s ILE 285 Cb -0.24 -4.17 -0.07 0.00 -1.58 0.00 0.00 42.46 36.41 1pfq s ILE 285 CO -0.00 -0.04 0.80 -1.58 -1.23 0.00 0.00 174.94 172.89 1pfq s GLN 286 N 2.42 4.56 -0.28 2.79 0.74 -1.26 -0.43 119.66 128.21 1pfq s GLN 286 Ca 0.51 1.17 -0.06 0.00 0.05 0.00 0.00 55.36 57.03 1pfq s GLN 286 Cb -0.21 -3.32 0.01 0.00 1.10 0.00 0.00 33.01 30.59 1pfq s GLN 286 CO 0.17 0.39 0.05 0.42 -0.55 0.00 0.00 175.29 175.77 1pfq s ILE 287 N -0.51 3.77 0.38 -2.34 1.01 -0.56 -4.92 121.20 118.05 1pfq s ILE 287 Ca 0.39 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 60.12 1pfq s ILE 287 Cb -0.22 -2.91 -0.10 0.00 0.01 0.00 0.00 42.46 39.24 1pfq s ILE 287 CO 0.25 0.15 0.96 -0.89 0.00 0.00 0.00 174.94 175.41 1pfq s THR 288 N 1.48 4.24 0.78 2.92 2.01 -1.26 -4.31 115.64 121.50 1pfq s THR 288 Ca 0.03 1.61 -0.13 0.00 0.31 0.00 0.00 61.69 63.51 1pfq s THR 288 Cb -0.17 -3.78 0.07 0.00 0.01 0.00 0.00 72.50 68.63 1pfq s THR 288 CO 0.01 -0.09 1.17 0.00 -0.69 0.00 0.00 174.62 175.02 1pfq s ALA 289 N -1.89 1.99 0.74 7.40 0.00 -1.26 -5.00 121.76 123.74 1pfq s ALA 289 Ca 0.57 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 1pfq s ALA 289 Cb -0.14 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.58 1pfq s ALA 289 CO 0.19 -2.06 1.13 -1.25 0.00 0.00 0.00 175.76 173.77 1pfq s PRO 290 N -4.22 2.28 0.54 0.00 0.04 -1.26 -4.77 135.00 127.61 1pfq s PRO 290 Ca 0.70 1.41 0.32 0.00 0.04 0.00 0.00 61.00 63.48 1pfq s PRO 290 Cb -0.26 -1.88 1.41 0.00 0.04 0.00 0.00 34.50 33.81 1pfq s PRO 290 CO 0.49 -1.65 2.01 0.00 0.04 0.00 0.00 177.00 177.89 1pfq h ALA 291 N -0.62 1.05 0.00 8.56 0.00 -1.97 0.13 119.26 126.41 1pfq h ALA 291 Ca -0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1pfq h ALA 291 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pfq h ALA 291 CO 0.51 0.09 -0.05 0.66 0.00 0.00 0.00 179.25 180.46 1pfq h SER 292 N 0.00 0.00 0.12 0.00 4.64 -2.02 -2.62 113.55 113.67 1pfq h SER 292 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1pfq h SER 292 Cb 0.47 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 1pfq h SER 292 CO 0.01 0.05 -2.19 0.23 -0.87 0.00 0.00 176.83 174.06 1pfq n MET 293 N -3.26 0.69 0.19 4.77 2.00 0.37 -4.43 117.12 117.45 1pfq n MET 293 Ca -0.01 0.18 0.14 0.00 0.00 0.00 0.00 57.70 58.01 1pfq n MET 293 Cb 0.24 -1.62 0.56 0.00 0.00 0.00 0.00 33.22 32.39 1pfq n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1pfq h LEU 294 N 0.02 0.00 -2.13 4.03 3.38 -1.06 -2.83 115.31 116.73 1pfq h LEU 294 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1pfq h LEU 294 Cb 2.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 1pfq h LEU 294 CO 0.02 0.00 -0.05 0.40 0.09 0.00 0.00 178.44 178.90 1pfq h ILE 295 N 0.00 0.23 -1.12 1.22 2.04 -1.69 -3.46 117.51 114.73 1pfq h ILE 295 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1pfq h ILE 295 Cb 0.46 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1pfq h ILE 295 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.81 1pfq n GLY 296 N -0.61 3.60 3.77 5.37 0.00 -1.07 -5.14 105.19 111.10 1pfq n GLY 296 Ca -0.02 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 1pfq n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pfq s ASP 297 N 1.35 6.36 0.21 1.61 1.01 -1.26 -4.96 116.67 120.99 1pfq s ASP 297 Ca 0.00 2.61 -0.19 0.00 0.71 0.00 0.00 52.55 55.69 1pfq s ASP 297 Cb 0.00 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.32 1pfq s ASP 297 CO 0.00 -0.81 0.58 -1.38 0.21 0.00 0.00 175.17 173.77 1pfq s HIS 298 N -1.27 -0.16 0.10 4.23 -3.43 -1.26 -1.68 115.29 111.82 1pfq s HIS 298 Ca 0.56 -0.19 0.10 0.00 -0.80 0.00 0.00 55.06 54.73 1pfq s HIS 298 Cb -0.37 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.22 1pfq s HIS 298 CO 0.48 -0.99 -0.25 0.71 -2.00 0.00 0.00 174.74 172.68 1pfq s TYR 299 N -3.88 2.17 -0.26 0.38 2.02 0.35 -4.84 117.35 113.29 1pfq s TYR 299 Ca 0.09 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.18 1pfq s TYR 299 Cb -0.02 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 1pfq s TYR 299 CO -0.01 0.25 0.70 -1.17 -1.57 0.00 0.00 175.55 173.75 1pfq s LEU 300 N -1.80 4.08 -0.20 -1.29 2.96 -1.26 -0.61 118.68 120.56 1pfq s LEU 300 Ca 0.12 0.75 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 1pfq s LEU 300 Cb -0.10 -2.96 -0.21 0.00 0.50 0.00 0.00 46.19 43.43 1pfq s LEU 300 CO 0.05 -0.45 0.08 0.00 -1.32 0.00 0.00 176.35 174.70 1pfq s ASP 302 N -6.92 -0.22 -0.03 0.00 -4.77 -1.20 -4.78 116.67 98.75 1pfq s ASP 302 Ca -0.29 -0.12 0.00 0.00 -3.30 0.00 0.00 52.55 48.85 1pfq s ASP 302 Cb 0.08 0.32 0.03 0.00 -1.09 0.00 0.00 42.92 42.26 1pfq s ASP 302 CO 0.66 -0.55 -0.00 0.68 0.70 0.00 0.00 175.17 176.66 1pfq s VAL 303 N -2.89 0.18 -0.09 2.11 -7.23 -1.26 -1.37 120.40 109.84 1pfq s VAL 303 Ca 0.09 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1pfq s VAL 303 Cb -0.00 -0.28 0.02 0.00 0.56 0.00 0.00 36.38 36.68 1pfq s VAL 303 CO -0.05 0.15 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.92 1pfq s THR 304 N 1.02 0.96 0.08 5.32 2.01 -0.14 -4.99 115.64 119.90 1pfq s THR 304 Ca -0.10 -0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 1pfq s THR 304 Cb -0.14 -0.96 -0.07 0.00 0.01 0.00 0.00 72.50 71.34 1pfq s THR 304 CO -0.02 0.35 1.29 0.26 -0.69 0.00 0.00 174.62 175.81 1pfq s TRP 305 N 1.43 3.31 -0.25 4.92 0.52 -1.26 0.30 118.94 127.91 1pfq s TRP 305 Ca -0.01 1.11 0.03 0.00 0.02 0.00 0.00 56.10 57.26 1pfq s TRP 305 Cb -0.13 -3.55 -0.17 0.00 -1.15 0.00 0.00 33.47 28.46 1pfq s TRP 305 CO -0.05 -1.83 -0.20 0.00 0.02 0.00 0.00 176.95 174.89 1pfq n ALA 306 N 4.07 1.46 -3.72 0.98 0.00 0.56 -4.91 120.51 118.94 1pfq n ALA 306 Ca 0.10 -1.10 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 1pfq n ALA 306 Cb 0.44 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 1pfq n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pfq n THR 307 N -3.19 0.00 0.68 0.00 -2.24 -0.96 -4.60 114.28 103.97 1pfq n THR 307 Ca -0.44 -1.38 0.09 0.00 -2.27 0.00 0.00 64.05 60.06 1pfq n THR 307 Cb 0.99 0.71 0.41 0.00 -2.10 0.00 0.00 70.33 70.34 1pfq n THR 307 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfq n GLN 308 N -0.37 0.04 -0.11 -0.78 6.02 -1.26 -2.89 117.38 118.03 1pfq n GLN 308 Ca 0.04 0.17 0.03 0.00 -0.01 0.00 0.00 57.00 57.22 1pfq n GLN 308 Cb 0.36 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.16 1pfq n GLN 308 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pfq n GLU 309 N -1.47 1.32 -3.76 -1.09 1.02 -1.26 -4.90 120.64 110.50 1pfq n GLU 309 Ca 0.05 -1.49 -0.14 0.00 -0.02 0.00 0.00 57.16 55.57 1pfq n GLU 309 Cb 0.21 -0.94 -0.15 0.00 -0.02 0.00 0.00 31.44 30.54 1pfq n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1pfq s ARG 310 N -1.11 0.06 -0.00 3.49 3.52 -1.14 -1.64 118.95 122.12 1pfq s ARG 310 Ca 0.09 0.30 0.05 0.00 -0.13 0.00 0.00 55.73 56.04 1pfq s ARG 310 Cb 0.08 -0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.28 1pfq s ARG 310 CO 0.01 -0.15 -0.15 -1.50 -0.81 0.00 0.00 175.30 172.70 1pfq s ILE 311 N 1.02 1.15 -0.08 4.11 2.07 -0.56 -0.33 121.20 128.58 1pfq s ILE 311 Ca -0.08 -0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.45 1pfq s ILE 311 Cb -0.11 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 1pfq s ILE 311 CO -0.05 0.27 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.30 1pfq s SER 312 N -0.49 5.08 -0.06 4.50 1.04 0.15 -0.73 113.70 123.19 1pfq s SER 312 Ca 0.05 0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.60 1pfq s SER 312 Cb -0.06 -1.41 0.01 0.00 0.10 0.00 0.00 66.02 64.66 1pfq s SER 312 CO -0.00 0.37 -0.13 -0.76 0.98 0.00 0.00 173.24 173.70 1pfq s LEU 313 N -0.82 1.71 -0.22 2.42 1.43 0.00 -0.97 118.68 122.23 1pfq s LEU 313 Ca 0.13 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 1pfq s LEU 313 Cb -0.11 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1pfq s LEU 313 CO 0.02 0.06 0.07 -1.58 0.23 0.00 0.00 176.35 175.14 1pfq s GLN 314 N 0.52 3.79 0.16 1.70 0.74 -0.47 0.07 119.66 126.17 1pfq s GLN 314 Ca -0.12 -0.42 0.07 0.00 0.05 0.00 0.00 55.36 54.94 1pfq s GLN 314 Cb -0.14 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 1pfq s GLN 314 CO 0.03 0.01 -0.02 -1.58 -0.55 0.00 0.00 175.29 173.19 1pfq s TRP 315 N 1.07 2.84 -0.03 1.67 0.52 0.50 -0.75 118.94 124.77 1pfq s TRP 315 Ca 0.04 -0.13 0.00 0.00 0.02 0.00 0.00 56.10 56.03 1pfq s TRP 315 Cb -0.14 -1.39 0.03 0.00 -1.15 0.00 0.00 33.47 30.81 1pfq s TRP 315 CO 0.03 0.51 0.01 -1.17 0.02 0.00 0.00 176.95 176.35 1pfq s LEU 316 N -2.81 1.15 0.55 2.99 2.96 0.22 -1.05 118.68 122.70 1pfq s LEU 316 Ca 0.27 -0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.98 1pfq s LEU 316 Cb -0.10 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.37 1pfq s LEU 316 CO 0.18 -0.11 1.10 -0.13 -1.32 0.00 0.00 176.35 176.07 1pfq s ARG 317 N 1.02 3.38 0.20 1.98 0.52 -0.72 0.13 118.95 125.46 1pfq s ARG 317 Ca -0.10 1.47 -0.08 0.00 -0.52 0.00 0.00 55.73 56.50 1pfq s ARG 317 Cb -0.13 -2.02 0.14 0.00 0.52 0.00 0.00 34.95 33.45 1pfq s ARG 317 CO -0.02 -0.80 1.76 -0.09 0.02 0.00 0.00 175.30 176.17 1pfq h ARG 318 N 1.03 1.14 -5.91 3.54 2.43 -1.65 -3.01 114.38 111.95 1pfq h ARG 318 Ca -0.49 -0.22 -0.48 0.00 -0.81 0.00 0.00 59.98 57.98 1pfq h ARG 318 Cb 1.24 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1pfq h ARG 318 CO 0.57 0.95 1.35 0.42 -1.51 0.00 0.00 179.97 181.74 1pfq s ILE 319 N -5.49 3.31 -0.00 1.20 1.01 -1.26 -4.86 121.20 115.10 1pfq s ILE 319 Ca -0.12 0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 1pfq s ILE 319 Cb 0.15 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1pfq s ILE 319 CO 0.84 -0.79 1.95 0.00 0.00 0.00 0.00 174.94 176.94 1pfq n GLN 320 N 9.15 1.01 -0.14 2.79 6.02 -1.14 -3.99 117.38 131.07 1pfq n GLN 320 Ca 0.24 -0.01 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 1pfq n GLN 320 Cb 0.52 -1.00 0.27 0.00 1.02 0.00 0.00 30.24 31.04 1pfq n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1pfq n ASN 321 N 1.44 2.77 -3.31 1.08 2.04 -1.26 -3.12 115.26 114.89 1pfq n ASN 321 Ca 0.00 -1.89 0.02 0.00 -0.44 0.00 0.00 54.58 52.27 1pfq n ASN 321 Cb 0.50 -0.19 -0.02 0.00 -2.53 0.00 0.00 39.78 37.54 1pfq n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1pfq s TYR 322 N -1.63 -1.47 0.07 -2.53 6.14 -1.26 -2.99 117.35 113.69 1pfq s TYR 322 Ca 0.36 1.86 0.09 0.00 0.64 0.00 0.00 57.07 60.01 1pfq s TYR 322 Cb 0.21 0.63 -0.03 0.00 0.42 0.00 0.00 41.96 43.18 1pfq s TYR 322 CO 0.29 -0.78 -0.24 0.45 0.64 0.00 0.00 175.55 175.91 1pfq s SER 323 N 2.87 2.90 -0.06 4.32 0.15 0.15 -1.76 113.70 122.26 1pfq s SER 323 Ca 0.11 -0.62 0.03 0.00 0.70 0.00 0.00 55.95 56.17 1pfq s SER 323 Cb -0.14 -0.23 0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1pfq s SER 323 CO -0.20 0.18 -0.13 -0.69 1.20 0.00 0.00 173.24 173.60 1pfq s VAL 324 N -0.91 1.20 -0.23 4.45 1.01 -0.21 0.83 120.40 126.54 1pfq s VAL 324 Ca 0.10 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1pfq s VAL 324 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1pfq s VAL 324 CO 0.03 0.37 0.10 -0.32 0.00 0.00 0.00 175.10 175.28 1pfq s MET 325 N 0.58 3.90 -0.12 2.72 1.75 0.17 -0.37 119.30 127.92 1pfq s MET 325 Ca -0.14 -0.36 -0.06 0.00 -1.25 0.00 0.00 55.69 53.88 1pfq s MET 325 Cb -0.15 -3.37 -0.04 0.00 2.84 0.00 0.00 34.83 34.11 1pfq s MET 325 CO 0.04 0.04 0.09 -0.51 -0.65 0.00 0.00 175.02 174.03 1pfq s ASP 326 N 1.04 5.98 -0.18 1.11 1.01 0.11 -1.68 116.67 124.06 1pfq s ASP 326 Ca 0.05 0.32 -0.01 0.00 0.71 0.00 0.00 52.55 53.62 1pfq s ASP 326 Cb -0.14 -1.90 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 1pfq s ASP 326 CO 0.04 0.36 -0.12 -0.63 0.21 0.00 0.00 175.17 175.03 1pfq s ILE 327 N -0.73 2.89 -0.06 0.77 1.01 -1.25 -0.82 121.20 123.02 1pfq s ILE 327 Ca 0.13 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1pfq s ILE 327 Cb -0.12 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1pfq s ILE 327 CO 0.03 0.49 -0.18 0.00 0.00 0.00 0.00 174.94 175.27 1pfq s ASP 329 N 0.24 4.70 0.12 0.00 -0.00 -0.02 -1.50 116.67 120.20 1pfq s ASP 329 Ca -0.10 -0.07 -0.30 0.00 -0.00 0.00 0.00 52.55 52.08 1pfq s ASP 329 Cb -0.14 -1.15 -0.07 0.00 -0.00 0.00 0.00 42.92 41.56 1pfq s ASP 329 CO 0.04 0.32 1.19 -0.47 -0.00 0.00 0.00 175.17 176.25 1pfq s TYR 330 N -0.92 3.45 -0.42 4.23 5.04 -0.65 -0.08 117.35 127.99 1pfq s TYR 330 Ca 0.15 1.36 -0.13 0.00 -2.44 0.00 0.00 57.07 56.01 1pfq s TYR 330 Cb -0.11 -3.42 0.05 0.00 0.35 0.00 0.00 41.96 38.83 1pfq s TYR 330 CO 0.05 -1.22 0.29 0.34 -1.34 0.00 0.00 175.55 173.67 1pfq s ASP 331 N 0.61 5.92 0.14 4.32 2.15 0.11 -4.93 116.67 125.00 1pfq s ASP 331 Ca 0.56 -1.15 -0.21 0.00 0.43 0.00 0.00 52.55 52.18 1pfq s ASP 331 Cb -0.31 -2.09 0.01 0.00 -0.30 0.00 0.00 42.92 40.23 1pfq s ASP 331 CO 0.32 -0.50 1.67 -0.33 -0.17 0.00 0.00 175.17 176.16 1pfq h GLU 332 N 8.57 -0.13 -0.16 4.34 5.08 -1.95 -0.01 114.58 130.32 1pfq h GLU 332 Ca -0.26 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1pfq h GLU 332 Cb 1.11 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1pfq h GLU 332 CO 0.76 -0.08 0.00 0.45 -1.00 0.00 0.00 179.01 179.13 1pfq n SER 333 N -5.30 1.72 -0.06 1.42 2.88 -1.26 -3.68 113.62 109.34 1pfq n SER 333 Ca -0.01 -1.70 -0.08 0.00 -1.33 0.00 0.00 58.87 55.75 1pfq n SER 333 Cb 0.21 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.50 1pfq n SER 333 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1pfq n SER 334 N 0.36 2.73 0.00 -3.46 2.88 -0.87 -4.99 113.62 110.27 1pfq n SER 334 Ca 0.17 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1pfq n SER 334 Cb 0.34 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1pfq n SER 334 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pfq n GLY 335 N 2.66 1.35 3.87 0.46 0.00 -0.07 -5.04 105.19 108.41 1pfq n GLY 335 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1pfq n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pfq s ARG 336 N -0.21 3.64 -0.22 1.61 0.52 -1.24 -4.85 118.95 118.20 1pfq s ARG 336 Ca 0.00 0.69 -0.05 0.00 -0.52 0.00 0.00 55.73 55.85 1pfq s ARG 336 Cb 0.00 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 1pfq s ARG 336 CO 0.00 -0.46 0.01 -1.58 0.02 0.00 0.00 175.30 173.29 1pfq s TRP 337 N -3.02 3.04 -0.37 -0.53 0.52 -1.26 -0.71 118.94 116.61 1pfq s TRP 337 Ca 0.54 -0.53 -0.13 0.00 0.02 0.00 0.00 56.10 56.01 1pfq s TRP 337 Cb -0.11 -2.13 0.01 0.00 -1.15 0.00 0.00 33.47 30.09 1pfq s TRP 337 CO 0.49 -0.32 0.25 -0.80 0.02 0.00 0.00 176.95 176.59 1pfq s ASN 338 N 1.25 5.96 -0.90 2.95 0.01 0.88 -4.86 114.94 120.23 1pfq s ASN 338 Ca 0.04 -0.75 -0.15 0.00 -0.71 0.00 0.00 52.86 51.29 1pfq s ASN 338 Cb -0.15 -2.11 0.20 0.00 0.41 0.00 0.00 41.25 39.61 1pfq s ASN 338 CO 0.01 -0.35 0.92 0.00 -1.51 0.00 0.00 177.10 176.17 1pfq n LEU 340 N 4.51 4.37 0.23 0.00 4.32 -1.25 -4.88 117.00 124.30 1pfq n LEU 340 Ca 0.18 1.19 0.07 0.00 -0.02 0.00 0.00 56.01 57.43 1pfq n LEU 340 Cb 0.46 -1.58 0.55 0.00 -1.62 0.00 0.00 43.42 41.23 1pfq n LEU 340 CO 0.40 0.05 0.91 0.58 -1.22 0.00 0.00 177.39 178.11 1pfq h VAL 341 N 3.08 1.02 0.00 4.08 2.07 -1.96 -2.53 116.25 122.01 1pfq h VAL 341 Ca -0.48 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1pfq h VAL 341 Cb 1.24 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1pfq h VAL 341 CO 0.71 0.17 0.00 0.00 0.02 0.00 0.00 177.57 178.47 1pfq n ALA 342 N -2.46 1.62 -0.57 1.67 0.00 -1.26 -2.58 120.51 116.93 1pfq n ALA 342 Ca -0.02 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.58 1pfq n ALA 342 Cb 0.25 -1.37 0.23 0.00 0.00 0.00 0.00 19.45 18.55 1pfq n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pfq n ARG 343 N -2.20 3.03 -2.85 0.00 3.00 -0.95 -4.46 116.66 112.22 1pfq n ARG 343 Ca 0.02 -2.49 -0.36 0.00 -0.01 0.00 0.00 57.85 55.01 1pfq n ARG 343 Cb 0.21 -1.59 -0.07 0.00 0.00 0.00 0.00 32.46 31.02 1pfq n ARG 343 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1pfq s GLN 344 N -1.86 4.43 -0.02 5.56 0.74 -1.06 -3.89 119.66 123.56 1pfq s GLN 344 Ca 0.35 1.18 0.01 0.00 0.05 0.00 0.00 55.36 56.95 1pfq s GLN 344 Cb 0.24 -2.65 0.01 0.00 1.10 0.00 0.00 33.01 31.71 1pfq s GLN 344 CO 0.14 0.22 -0.04 -1.01 -0.55 0.00 0.00 175.29 174.05 1pfq s HIS 345 N -1.75 0.50 0.05 1.67 3.76 -0.67 -4.88 115.29 113.96 1pfq s HIS 345 Ca 0.52 -0.10 0.07 0.00 -0.15 0.00 0.00 55.06 55.41 1pfq s HIS 345 Cb -0.16 -0.42 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 1pfq s HIS 345 CO 0.21 -0.08 -0.18 0.96 -0.85 0.00 0.00 174.74 174.79 1pfq s ILE 346 N 0.41 2.82 -0.10 0.60 -5.25 -1.26 0.42 121.20 118.84 1pfq s ILE 346 Ca -0.05 -1.20 0.04 0.00 -0.99 0.00 0.00 60.65 58.46 1pfq s ILE 346 Cb -0.08 -2.20 -0.00 0.00 2.95 0.00 0.00 42.46 43.13 1pfq s ILE 346 CO -0.00 0.32 -0.24 -0.70 -1.79 0.00 0.00 174.94 172.53 1pfq s GLU 347 N -1.49 3.02 0.08 0.37 2.12 0.24 -4.98 118.70 118.06 1pfq s GLU 347 Ca 0.15 -0.88 0.06 0.00 0.36 0.00 0.00 54.97 54.66 1pfq s GLU 347 Cb -0.11 -2.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 1pfq s GLU 347 CO 0.06 0.19 -0.15 -1.64 -0.54 0.00 0.00 175.26 173.18 1pfq s MET 348 N 0.30 0.87 0.24 4.30 -1.94 -1.26 -0.67 119.30 121.14 1pfq s MET 348 Ca -0.18 -1.01 0.11 0.00 -1.71 0.00 0.00 55.69 52.90 1pfq s MET 348 Cb -0.18 -0.90 -0.05 0.00 2.01 0.00 0.00 34.83 35.72 1pfq s MET 348 CO 0.09 0.20 -0.15 0.45 -0.01 0.00 0.00 175.02 175.59 1pfq s SER 349 N -1.83 3.85 -0.05 3.03 0.15 -1.16 -5.01 113.70 112.68 1pfq s SER 349 Ca 0.00 -0.83 -0.07 0.00 0.70 0.00 0.00 55.95 55.75 1pfq s SER 349 Cb -0.09 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1pfq s SER 349 CO 0.03 0.07 -0.15 0.41 1.20 0.00 0.00 173.24 174.79 1pfq n THR 350 N -0.32 1.11 0.24 6.45 -1.04 -1.26 -4.77 114.28 114.69 1pfq n THR 350 Ca -0.08 0.14 0.08 0.00 -2.04 0.00 0.00 64.05 62.15 1pfq n THR 350 Cb 0.58 -1.82 0.62 0.00 -1.82 0.00 0.00 70.33 67.89 1pfq n THR 350 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1pfq h THR 351 N -0.42 1.01 0.00 12.58 1.35 -1.99 -3.46 112.91 121.97 1pfq h THR 351 Ca -0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1pfq h THR 351 Cb 0.70 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1pfq h THR 351 CO -0.06 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 1pfq n GLY 352 N -1.54 2.29 3.92 5.82 0.00 -1.26 -4.90 105.19 109.53 1pfq n GLY 352 Ca -0.03 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1pfq n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1pfq s TRP 353 N 1.43 2.00 -0.26 1.61 -2.14 -1.26 -4.74 118.94 115.57 1pfq s TRP 353 Ca 0.00 -0.68 -0.20 0.00 2.66 0.00 0.00 56.10 57.88 1pfq s TRP 353 Cb 0.00 -2.08 -0.02 0.00 -3.10 0.00 0.00 33.47 28.27 1pfq s TRP 353 CO 0.00 -0.49 0.63 0.08 -2.66 0.00 0.00 176.95 174.51 1pfq s VAL 354 N -2.63 4.97 0.00 -0.66 1.01 -1.18 -4.78 120.40 117.13 1pfq s VAL 354 Ca 0.45 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1pfq s VAL 354 Cb -0.03 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1pfq s VAL 354 CO 0.28 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1pfq n GLY 355 N 4.21 -2.44 0.00 4.51 0.00 -1.26 -3.91 105.19 106.31 1pfq n GLY 355 Ca -0.01 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1pfq n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfq n ARG 356 N -0.29 0.00 -0.01 1.61 1.74 -1.26 -4.73 116.66 113.73 1pfq n ARG 356 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1pfq n ARG 356 Cb 0.00 -0.56 -0.15 0.00 -1.02 0.00 0.00 32.46 30.74 1pfq n ARG 356 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1pfq n PHE 357 N -0.49 0.00 -3.51 -1.55 3.01 -1.26 -4.91 117.46 108.75 1pfq n PHE 357 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 1pfq n PHE 357 Cb 0.00 -0.34 -0.02 0.00 -0.01 0.00 0.00 39.48 39.11 1pfq n PHE 357 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1pfq s ARG 358 N -3.28 1.30 0.28 -1.08 1.70 -1.26 -5.03 118.95 111.57 1pfq s ARG 358 Ca -0.03 -0.54 -0.29 0.00 -0.47 0.00 0.00 55.73 54.40 1pfq s ARG 358 Cb 0.14 0.56 -0.14 0.00 -0.57 0.00 0.00 34.95 34.94 1pfq s ARG 358 CO 0.85 -0.58 1.09 -2.30 -1.08 0.00 0.00 175.30 173.28 1pfq n PRO 359 N -0.38 1.47 -1.00 3.89 -0.02 -1.25 -4.35 135.00 133.35 1pfq n PRO 359 Ca -0.14 0.52 -0.31 0.00 -2.02 0.00 0.00 63.50 61.56 1pfq n PRO 359 Cb 0.63 -1.95 0.14 0.00 -0.02 0.00 0.00 33.50 32.31 1pfq n PRO 359 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1pfq s SER 360 N -0.39 3.48 0.13 2.55 0.01 -1.26 -5.01 113.70 113.20 1pfq s SER 360 Ca 0.61 1.86 -0.25 0.00 1.31 0.00 0.00 55.95 59.48 1pfq s SER 360 Cb -0.70 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.01 1pfq s SER 360 CO 0.58 -2.69 0.76 -1.61 0.41 0.00 0.00 173.24 170.69 1pfq s GLU 361 N -4.79 4.52 0.25 12.44 2.02 -1.26 -4.98 118.70 126.91 1pfq s GLU 361 Ca 0.64 1.11 -0.30 0.00 0.02 0.00 0.00 54.97 56.44 1pfq s GLU 361 Cb -0.20 -3.29 -0.09 0.00 0.10 0.00 0.00 34.13 30.65 1pfq s GLU 361 CO 0.58 0.49 0.97 -1.25 0.02 0.00 0.00 175.26 176.07 1pfq s PRO 362 N -0.83 4.80 -0.30 0.39 0.04 -1.26 -4.57 135.00 133.27 1pfq s PRO 362 Ca 0.36 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1pfq s PRO 362 Cb -0.22 -3.24 0.07 0.00 0.04 0.00 0.00 34.50 31.14 1pfq s PRO 362 CO 0.25 0.44 -0.01 -1.01 0.04 0.00 0.00 177.00 176.71 1pfq s HIS 363 N -1.19 3.38 0.15 0.56 3.76 -0.39 -4.96 115.29 116.60 1pfq s HIS 363 Ca 0.42 -2.28 -0.21 0.00 -0.15 0.00 0.00 55.06 52.84 1pfq s HIS 363 Cb -0.27 -2.28 -0.08 0.00 1.11 0.00 0.00 32.58 31.06 1pfq s HIS 363 CO 0.34 -0.87 0.68 -0.06 -0.85 0.00 0.00 174.74 173.98 1pfq s PHE 364 N 1.13 3.78 1.00 1.40 0.40 -1.26 -0.99 117.98 123.43 1pfq s PHE 364 Ca -0.03 1.41 -0.12 0.00 -0.60 0.00 0.00 56.93 57.59 1pfq s PHE 364 Cb -0.20 -2.61 0.19 0.00 0.51 0.00 0.00 43.02 40.91 1pfq s PHE 364 CO -0.04 0.48 1.08 0.95 0.70 0.00 0.00 175.22 178.39 1pfq s THR 365 N -1.27 2.26 0.27 0.64 -4.23 -0.83 -4.90 115.64 107.58 1pfq s THR 365 Ca 0.36 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 1pfq s THR 365 Cb -0.19 -2.45 0.27 0.00 1.34 0.00 0.00 72.50 71.46 1pfq s THR 365 CO 0.22 -0.11 1.84 0.25 -0.54 0.00 0.00 174.62 176.28 1pfq h LEU 366 N -1.94 0.91 -0.81 4.79 6.46 -1.91 -1.42 115.31 121.38 1pfq h LEU 366 Ca -0.54 0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.17 1pfq h LEU 366 Cb 1.31 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1pfq h LEU 366 CO 0.54 0.52 -0.42 0.44 -0.62 0.00 0.00 178.44 178.89 1pfq h ASP 367 N 1.01 0.00 0.00 1.25 3.32 -1.91 -3.47 116.42 116.62 1pfq h ASP 367 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1pfq h ASP 367 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1pfq h ASP 367 CO -0.24 0.42 0.00 0.61 -1.72 0.00 0.00 179.24 178.31 1pfq n GLY 368 N 0.35 0.64 0.74 2.75 0.00 -0.54 -4.91 105.19 104.24 1pfq n GLY 368 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1pfq n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pfq n ASN 369 N 0.00 2.52 -3.94 1.61 3.02 -1.26 -4.91 115.26 112.30 1pfq n ASN 369 Ca 0.00 -1.77 -0.08 0.00 -0.03 0.00 0.00 54.58 52.70 1pfq n ASN 369 Cb 0.00 0.19 -0.08 0.00 -0.61 0.00 0.00 39.78 39.28 1pfq n ASN 369 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pfq s SER 370 N -2.20 0.25 0.11 6.41 0.01 -1.26 -2.11 113.70 114.90 1pfq s SER 370 Ca 0.24 -0.76 -0.20 0.00 1.31 0.00 0.00 55.95 56.54 1pfq s SER 370 Cb 0.19 0.29 0.05 0.00 0.21 0.00 0.00 66.02 66.76 1pfq s SER 370 CO 0.41 -0.68 0.50 0.72 0.41 0.00 0.00 173.24 174.61 1pfq s PHE 371 N -3.83 -0.38 -0.09 2.43 -0.71 -0.22 -1.97 117.98 113.20 1pfq s PHE 371 Ca 0.05 0.23 0.01 0.00 -1.04 0.00 0.00 56.93 56.17 1pfq s PHE 371 Cb 0.06 0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 42.22 1pfq s PHE 371 CO -0.10 -0.72 -0.10 0.71 -1.34 0.00 0.00 175.22 173.67 1pfq s TYR 372 N -3.29 2.86 0.02 3.49 1.51 -0.16 -0.06 117.35 121.72 1pfq s TYR 372 Ca -0.01 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1pfq s TYR 372 Cb 0.00 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 1pfq s TYR 372 CO -0.08 0.10 -0.04 0.21 -1.11 0.00 0.00 175.55 174.62 1pfq s LYS 373 N -0.31 0.34 -0.19 -0.62 2.20 0.06 -1.27 119.74 119.95 1pfq s LYS 373 Ca 0.04 -0.42 -0.27 0.00 -0.36 0.00 0.00 55.97 54.95 1pfq s LYS 373 Cb -0.13 -0.16 -0.00 0.00 -1.51 0.00 0.00 37.83 36.03 1pfq s LYS 373 CO 0.02 0.03 0.94 0.42 -0.36 0.00 0.00 175.35 176.41 1pfq s ILE 374 N -0.79 4.78 0.02 5.43 1.01 -1.26 0.74 121.20 131.12 1pfq s ILE 374 Ca -0.06 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.44 1pfq s ILE 374 Cb -0.06 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1pfq s ILE 374 CO -0.00 -0.07 -0.03 -0.63 0.00 0.00 0.00 174.94 174.21 1pfq s ILE 375 N 2.63 0.13 0.16 2.92 1.01 0.81 -4.66 121.20 124.21 1pfq s ILE 375 Ca 0.42 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 1pfq s ILE 375 Cb -0.16 -0.25 -0.08 0.00 0.01 0.00 0.00 42.46 41.98 1pfq s ILE 375 CO 0.10 -0.40 1.32 -0.55 0.00 0.00 0.00 174.94 175.42 1pfq s SER 376 N -1.20 6.89 0.02 3.58 0.15 -1.26 -1.15 113.70 120.73 1pfq s SER 376 Ca -0.13 2.35 0.00 0.00 0.70 0.00 0.00 55.95 58.87 1pfq s SER 376 Cb -0.08 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1pfq s SER 376 CO -0.01 -0.55 0.00 -0.46 1.20 0.00 0.00 173.24 173.42 1pfq n ASN 377 N 3.09 0.00 0.11 5.45 0.23 -0.28 -4.89 115.26 118.97 1pfq n ASN 377 Ca 0.08 -0.29 -0.01 0.00 -0.53 0.00 0.00 54.58 53.83 1pfq n ASN 377 Cb 0.43 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.40 1pfq n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1pfq h GLU 378 N 0.00 0.21 -0.61 -3.83 3.07 -1.96 -2.15 114.58 109.30 1pfq h GLU 378 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1pfq h GLU 378 Cb 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1pfq h GLU 378 CO 0.00 0.55 0.00 0.39 -1.40 0.00 0.00 179.01 178.55 1pfq n GLU 379 N -4.08 3.60 -1.46 2.33 1.02 -1.26 -4.95 120.64 115.84 1pfq n GLU 379 Ca -0.01 -2.83 0.00 0.00 -0.02 0.00 0.00 57.16 54.30 1pfq n GLU 379 Cb 0.43 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1pfq n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pfq n GLY 380 N 1.02 0.59 3.50 0.62 0.00 -0.81 -4.73 105.19 105.38 1pfq n GLY 380 Ca 0.25 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1pfq n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pfq s TYR 381 N -2.00 2.75 -0.25 1.61 1.51 -1.26 0.35 117.35 120.06 1pfq s TYR 381 Ca 0.00 -0.12 -0.26 0.00 -1.01 0.00 0.00 57.07 55.68 1pfq s TYR 381 Cb 0.00 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1pfq s TYR 381 CO 0.00 0.22 0.90 1.03 -1.11 0.00 0.00 175.55 176.58 1pfq s ARG 382 N -0.74 4.17 0.26 -0.62 0.52 -1.26 -1.13 118.95 120.15 1pfq s ARG 382 Ca 0.11 1.02 0.01 0.00 -0.52 0.00 0.00 55.73 56.36 1pfq s ARG 382 Cb -0.11 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 1pfq s ARG 382 CO 0.01 -0.59 0.23 -1.01 0.02 0.00 0.00 175.30 173.95 1pfq s HIS 383 N 3.00 1.33 -0.24 -0.53 3.76 -0.30 -1.72 115.29 120.59 1pfq s HIS 383 Ca 0.38 -1.44 -0.21 0.00 -0.15 0.00 0.00 55.06 53.63 1pfq s HIS 383 Cb -0.15 -0.54 -0.02 0.00 1.11 0.00 0.00 32.58 32.98 1pfq s HIS 383 CO 0.08 -0.78 0.66 0.42 -0.85 0.00 0.00 174.74 174.28 1pfq s ILE 384 N -3.82 4.97 -0.08 0.60 1.01 -1.26 -0.13 121.20 122.48 1pfq s ILE 384 Ca 0.38 1.22 -0.01 0.00 0.00 0.00 0.00 60.65 62.24 1pfq s ILE 384 Cb 0.04 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1pfq s ILE 384 CO 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 174.94 175.13 1pfq s TYR 386 N -0.83 3.36 -0.01 0.00 5.04 0.12 -0.76 117.35 124.28 1pfq s TYR 386 Ca 0.13 0.26 0.08 0.00 -2.44 0.00 0.00 57.07 55.10 1pfq s TYR 386 Cb -0.11 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 40.00 1pfq s TYR 386 CO 0.02 0.21 -0.26 -0.06 -1.34 0.00 0.00 175.55 174.12 1pfq s PHE 387 N 0.55 2.29 -0.06 4.97 0.40 0.92 -1.60 117.98 125.46 1pfq s PHE 387 Ca 0.07 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 1pfq s PHE 387 Cb -0.12 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 1pfq s PHE 387 CO -0.00 -0.01 0.29 -0.65 0.70 0.00 0.00 175.22 175.55 1pfq s GLN 388 N -0.70 3.77 0.12 0.44 -0.21 -1.26 -1.06 119.66 120.76 1pfq s GLN 388 Ca 0.10 0.17 0.14 0.00 0.02 0.00 0.00 55.36 55.80 1pfq s GLN 388 Cb -0.10 -3.23 0.65 0.00 1.00 0.00 0.00 33.01 31.33 1pfq s GLN 388 CO -0.01 0.68 1.44 0.44 -2.12 0.00 0.00 175.29 175.73 1pfq n ILE 389 N 2.06 1.22 -0.24 1.08 -5.35 -0.90 -1.69 119.36 115.54 1pfq n ILE 389 Ca -0.16 0.40 0.03 0.00 -0.27 0.00 0.00 62.75 62.75 1pfq n ILE 389 Cb 0.53 -1.30 0.07 0.00 -1.74 0.00 0.00 39.64 37.20 1pfq n ILE 389 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1pfq n ASP 390 N -1.82 2.37 -4.19 7.28 3.85 -1.26 -4.16 116.55 118.62 1pfq n ASP 390 Ca 0.01 -2.20 -0.24 0.00 -0.71 0.00 0.00 54.79 51.65 1pfq n ASP 390 Cb 0.12 -0.14 -0.14 0.00 -1.35 0.00 0.00 41.12 39.60 1pfq n ASP 390 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1pfq s LYS 391 N -1.36 1.28 0.08 0.11 -0.14 -0.68 -4.90 119.74 114.12 1pfq s LYS 391 Ca 0.12 -0.78 0.07 0.00 -1.36 0.00 0.00 55.97 54.01 1pfq s LYS 391 Cb 0.09 -1.31 -0.22 0.00 -1.68 0.00 0.00 37.83 34.70 1pfq s LYS 391 CO 0.05 0.34 1.12 0.87 -0.76 0.00 0.00 175.35 176.97 1pfq h LYS 392 N 5.17 0.04 -6.13 1.68 1.79 -1.90 -3.42 116.57 113.81 1pfq h LYS 392 Ca -0.39 -0.06 -0.55 0.00 -2.18 0.00 0.00 60.65 57.46 1pfq h LYS 392 Cb 1.16 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.79 1pfq h LYS 392 CO 0.45 0.92 0.16 -0.51 -1.08 0.00 0.00 179.45 179.39 1pfq s ASP 393 N -6.64 7.08 -0.00 0.86 1.01 -1.26 -5.01 116.67 112.71 1pfq s ASP 393 Ca -0.01 1.31 0.03 0.00 0.71 0.00 0.00 52.55 54.59 1pfq s ASP 393 Cb 0.09 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 1pfq s ASP 393 CO 0.83 -0.15 -0.08 0.00 0.21 0.00 0.00 175.17 175.98 1pfq s THR 395 N -0.96 5.04 0.22 0.00 2.01 -0.62 -4.85 115.64 116.48 1pfq s THR 395 Ca 0.16 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1pfq s THR 395 Cb -0.11 -3.37 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 1pfq s THR 395 CO 0.06 0.31 1.17 -0.36 -0.69 0.00 0.00 174.62 175.11 1pfq s PHE 396 N 1.48 3.45 0.00 4.92 0.40 -1.26 0.11 117.98 127.08 1pfq s PHE 396 Ca 0.07 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.90 1pfq s PHE 396 Cb -0.15 -3.40 0.00 0.00 0.51 0.00 0.00 43.02 39.98 1pfq s PHE 396 CO 0.07 -1.03 0.53 0.44 0.70 0.00 0.00 175.22 175.93 1pfq n ILE 397 N 2.03 0.06 -4.21 0.64 -5.35 0.04 -4.94 119.36 107.64 1pfq n ILE 397 Ca 0.02 -0.53 -0.12 0.00 -0.27 0.00 0.00 62.75 61.86 1pfq n ILE 397 Cb 0.45 0.98 -0.10 0.00 -1.74 0.00 0.00 39.64 39.22 1pfq n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1pfq s THR 398 N -0.06 0.83 -0.16 7.28 -4.23 -1.25 -4.83 115.64 113.21 1pfq s THR 398 Ca 0.00 -1.98 -0.28 0.00 -1.18 0.00 0.00 61.69 58.25 1pfq s THR 398 Cb 0.00 -1.82 0.09 0.00 1.34 0.00 0.00 72.50 72.10 1pfq s THR 398 CO 0.00 -0.76 0.78 -0.75 -0.54 0.00 0.00 174.62 173.36 1pfq s LYS 399 N -3.83 0.85 0.00 3.99 2.20 -1.26 -4.56 119.74 117.14 1pfq s LYS 399 Ca 0.16 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1pfq s LYS 399 Cb 0.05 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1pfq s LYS 399 CO -0.01 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 1pfq n GLY 400 N 1.61 2.33 2.35 5.54 0.00 -1.26 -4.94 105.19 110.80 1pfq n GLY 400 Ca -0.15 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 1pfq n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pfq n THR 401 N -1.30 4.27 -3.58 2.61 -2.24 -1.26 -4.73 114.28 108.06 1pfq n THR 401 Ca 0.00 -2.63 -0.05 0.00 -2.27 0.00 0.00 64.05 59.09 1pfq n THR 401 Cb 0.00 -2.61 0.02 0.00 -2.10 0.00 0.00 70.33 65.64 1pfq n THR 401 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1pfq n TRP 402 N 3.77 -1.81 -4.33 4.78 4.27 -1.26 -5.04 117.44 117.81 1pfq n TRP 402 Ca 0.77 -1.21 -0.18 0.00 -3.89 0.00 0.00 57.50 52.98 1pfq n TRP 402 Cb 0.24 0.61 -0.14 0.00 -1.36 0.00 0.00 31.31 30.66 1pfq n TRP 402 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 1pfq s GLU 403 N -2.06 0.74 -0.11 -2.67 2.02 -1.26 -4.46 118.70 110.90 1pfq s GLU 403 Ca 0.12 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.38 1pfq s GLU 403 Cb -0.03 -0.70 -0.02 0.00 0.10 0.00 0.00 34.13 33.48 1pfq s GLU 403 CO 0.07 0.19 1.14 0.08 0.02 0.00 0.00 175.26 176.76 1pfq s VAL 404 N -0.41 4.45 -0.06 2.63 1.01 -0.70 -2.56 120.40 124.76 1pfq s VAL 404 Ca 0.02 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 1pfq s VAL 404 Cb -0.05 -4.13 -0.30 0.00 0.00 0.00 0.00 36.38 31.91 1pfq s VAL 404 CO -0.00 -0.05 0.64 0.40 0.00 0.00 0.00 175.10 176.10 1pfq h ILE 405 N 5.17 0.97 -1.97 2.22 5.03 -0.96 -3.45 117.51 124.52 1pfq h ILE 405 Ca -0.30 -2.48 -0.04 0.00 -0.12 0.00 0.00 64.86 61.91 1pfq h ILE 405 Cb 1.13 2.76 -0.20 0.00 -3.03 0.00 0.00 36.82 37.48 1pfq h ILE 405 CO 0.90 0.82 0.18 -0.83 -0.68 0.00 0.00 178.15 178.54 1pfq s GLY 406 N -5.07 -0.54 -0.17 5.37 0.00 -1.17 -5.00 107.32 100.74 1pfq s GLY 406 Ca -0.17 1.73 -0.25 0.00 0.00 0.00 0.00 44.72 46.03 1pfq s GLY 406 CO 0.83 1.37 0.85 -0.42 0.00 0.00 0.00 173.10 175.73 1pfq s ILE 407 N -0.38 4.87 -0.15 0.90 1.01 -1.26 -0.94 121.20 125.24 1pfq s ILE 407 Ca -0.05 1.66 0.16 0.00 0.00 0.00 0.00 60.65 62.41 1pfq s ILE 407 Cb -0.03 -4.15 -0.22 0.00 0.01 0.00 0.00 42.46 38.08 1pfq s ILE 407 CO 0.05 0.01 0.10 -0.62 0.00 0.00 0.00 174.94 174.47 1pfq n GLU 408 N 5.33 1.13 -3.60 2.79 -0.58 0.16 -4.98 120.64 120.89 1pfq n GLU 408 Ca 0.05 -0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.64 1pfq n GLU 408 Cb 0.49 -1.44 -0.06 0.00 -0.57 0.00 0.00 31.44 29.85 1pfq n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pfq s ALA 409 N -2.51 -1.86 -0.11 0.62 0.00 -1.10 -4.89 121.76 111.91 1pfq s ALA 409 Ca -0.08 1.75 -0.02 0.00 0.00 0.00 0.00 51.96 53.61 1pfq s ALA 409 Cb 0.06 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.30 1pfq s ALA 409 CO 0.71 -0.31 0.01 -1.17 0.00 0.00 0.00 175.76 175.00 1pfq s LEU 410 N -0.29 0.75 0.00 0.00 2.96 -1.26 -0.32 118.68 120.52 1pfq s LEU 410 Ca -0.02 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1pfq s LEU 410 Cb -0.03 -0.49 0.03 0.00 0.50 0.00 0.00 46.19 46.20 1pfq s LEU 410 CO 0.01 -0.22 0.24 0.35 -1.32 0.00 0.00 176.35 175.41 1pfq n THR 411 N 5.12 0.00 0.42 3.68 -2.24 -0.50 -5.00 114.28 115.76 1pfq n THR 411 Ca -0.08 -1.33 0.12 0.00 -2.27 0.00 0.00 64.05 60.50 1pfq n THR 411 Cb 0.49 -0.20 0.49 0.00 -2.10 0.00 0.00 70.33 69.01 1pfq n THR 411 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pfq n SER 412 N -1.88 0.74 0.00 3.42 3.41 -1.26 -3.84 113.62 114.21 1pfq n SER 412 Ca -0.02 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1pfq n SER 412 Cb 0.38 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1pfq n SER 412 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pfq n ASP 413 N -2.29 3.97 -4.02 4.04 8.00 -1.26 -4.91 116.55 120.07 1pfq n ASP 413 Ca 0.03 -0.02 -0.08 0.00 0.71 0.00 0.00 54.79 55.43 1pfq n ASP 413 Cb 0.26 0.83 -0.11 0.00 -0.02 0.00 0.00 41.12 42.08 1pfq n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pfq s TYR 414 N -1.62 0.37 -0.13 1.24 2.02 -1.25 -2.33 117.35 115.64 1pfq s TYR 414 Ca 0.00 -0.75 -0.02 0.00 -0.37 0.00 0.00 57.07 55.93 1pfq s TYR 414 Cb 0.00 -0.27 -0.02 0.00 -0.40 0.00 0.00 41.96 41.27 1pfq s TYR 414 CO 0.00 -0.27 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.46 1pfq s LEU 415 N -2.06 3.04 -0.13 -1.29 0.20 0.19 -1.41 118.68 117.21 1pfq s LEU 415 Ca -0.07 -0.19 -0.06 0.00 0.69 0.00 0.00 54.13 54.51 1pfq s LEU 415 Cb -0.03 -1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1pfq s LEU 415 CO -0.05 0.19 0.08 -0.31 -0.29 0.00 0.00 176.35 175.97 1pfq s TYR 416 N 0.21 3.36 0.08 5.38 2.02 0.56 -0.57 117.35 128.39 1pfq s TYR 416 Ca -0.05 0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 56.85 1pfq s TYR 416 Cb -0.14 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 1pfq s TYR 416 CO 0.04 0.47 0.21 1.52 -1.57 0.00 0.00 175.55 176.22 1pfq s TYR 417 N -0.50 0.09 -0.09 2.71 1.13 -0.27 -0.67 117.35 119.76 1pfq s TYR 417 Ca 0.11 -0.47 -0.04 0.00 -1.41 0.00 0.00 57.07 55.26 1pfq s TYR 417 Cb -0.12 -0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.68 1pfq s TYR 417 CO 0.02 -0.54 0.08 0.42 -2.51 0.00 0.00 175.55 173.03 1pfq s ILE 418 N -3.59 4.97 0.20 -3.49 -1.09 -0.12 -0.68 121.20 117.41 1pfq s ILE 418 Ca 0.03 -0.05 -0.10 0.00 -2.23 0.00 0.00 60.65 58.30 1pfq s ILE 418 Cb 0.03 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 1pfq s ILE 418 CO -0.10 0.57 0.35 -0.94 -1.23 0.00 0.00 174.94 173.59 1pfq s SER 419 N -1.10 -0.01 -0.52 3.58 1.04 -0.92 -0.25 113.70 115.52 1pfq s SER 419 Ca 0.16 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 55.67 1pfq s SER 419 Cb -0.12 0.49 0.52 0.00 0.10 0.00 0.00 66.02 67.02 1pfq s SER 419 CO 0.05 -0.98 1.84 -0.46 0.98 0.00 0.00 173.24 174.67 1pfq n ASN 420 N -0.29 5.61 0.02 7.02 0.23 -1.06 -1.65 115.26 125.14 1pfq n ASN 420 Ca -0.04 -3.73 -0.09 0.00 -0.53 0.00 0.00 54.58 50.18 1pfq n ASN 420 Cb 0.63 -0.83 0.06 0.00 -2.08 0.00 0.00 39.78 37.57 1pfq n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1pfq h GLU 421 N 1.61 0.50 -6.43 -3.83 4.81 -1.84 -3.34 114.58 106.05 1pfq h GLU 421 Ca 0.55 -0.32 -0.53 0.00 -0.13 0.00 0.00 59.36 58.92 1pfq h GLU 421 Cb 1.60 0.04 0.02 0.00 0.63 0.00 0.00 28.75 31.04 1pfq h GLU 421 CO 1.22 0.93 1.07 -0.47 -0.73 0.00 0.00 179.01 181.03 1pfq s TYR 422 N -3.94 2.15 -0.95 0.92 6.14 -1.26 -1.90 117.35 118.51 1pfq s TYR 422 Ca -0.07 0.11 0.00 0.00 0.64 0.00 0.00 57.07 57.75 1pfq s TYR 422 Cb 0.11 -4.05 0.00 0.00 0.42 0.00 0.00 41.96 38.44 1pfq s TYR 422 CO 0.83 -4.36 0.00 1.63 0.64 0.00 0.00 175.55 174.29 1pfq n LYS 423 N 6.05 -1.31 -2.12 4.97 4.01 -1.26 -2.41 118.16 126.08 1pfq n LYS 423 Ca 0.17 0.77 -0.20 0.00 -0.51 0.00 0.00 58.31 58.53 1pfq n LYS 423 Cb 0.40 -4.94 -0.03 0.00 -0.51 0.00 0.00 35.03 29.95 1pfq n LYS 423 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pfq n GLY 424 N -0.51 0.32 3.39 0.72 0.00 -0.80 -4.95 105.19 103.36 1pfq n GLY 424 Ca -0.09 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 1pfq n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pfq s MET 425 N -4.58 2.97 0.64 1.61 -1.94 -1.01 -4.94 119.30 112.05 1pfq s MET 425 Ca 0.00 -1.35 0.41 0.00 -1.71 0.00 0.00 55.69 53.05 1pfq s MET 425 Cb 0.00 -4.12 2.21 0.00 2.01 0.00 0.00 34.83 34.92 1pfq s MET 425 CO 0.00 -1.02 2.30 -1.35 -0.01 0.00 0.00 175.02 174.94 1pfq h PRO 426 N 8.75 0.00 -0.64 2.03 0.11 -1.90 -1.53 132.00 138.82 1pfq h PRO 426 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1pfq h PRO 426 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pfq h PRO 426 CO 0.87 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 1pfq n GLY 427 N -0.94 2.18 3.95 -0.55 0.00 -1.26 -4.63 105.19 103.93 1pfq n GLY 427 Ca -0.02 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 1pfq n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pfq s GLY 428 N -1.11 1.38 -0.07 -0.02 0.00 -0.58 -2.21 107.32 104.71 1pfq s GLY 428 Ca 0.46 -1.35 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 1pfq s GLY 428 CO 0.32 -1.33 0.15 0.50 0.00 0.00 0.00 173.10 172.74 1pfq s ARG 429 N -4.02 0.08 0.08 2.90 1.81 -0.17 -4.10 118.95 115.54 1pfq s ARG 429 Ca 0.37 0.41 0.02 0.00 -1.72 0.00 0.00 55.73 54.82 1pfq s ARG 429 Cb -0.09 -0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.18 1pfq s ARG 429 CO 0.29 -0.19 -0.08 -0.80 -0.68 0.00 0.00 175.30 173.84 1pfq s ASN 430 N 1.38 1.13 -0.12 0.23 0.01 -0.66 -1.01 114.94 115.90 1pfq s ASN 430 Ca -0.07 -0.79 -0.20 0.00 -0.71 0.00 0.00 52.86 51.10 1pfq s ASN 430 Cb -0.12 0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 1pfq s ASN 430 CO -0.06 -0.31 0.55 -0.22 -1.51 0.00 0.00 177.10 175.55 1pfq s LEU 431 N -2.34 4.26 0.19 0.60 2.96 -1.26 -2.17 118.68 120.92 1pfq s LEU 431 Ca 0.02 0.89 0.09 0.00 -0.22 0.00 0.00 54.13 54.91 1pfq s LEU 431 Cb -0.03 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 1pfq s LEU 431 CO -0.02 -0.07 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.44 1pfq s TYR 432 N 0.91 1.93 0.08 5.38 2.02 0.14 0.42 117.35 128.23 1pfq s TYR 432 Ca 0.29 -0.45 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 1pfq s TYR 432 Cb -0.16 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1pfq s TYR 432 CO 0.12 0.42 -0.17 -1.59 -1.57 0.00 0.00 175.55 172.76 1pfq s LYS 433 N -3.05 0.95 -0.03 -0.62 -2.85 0.06 -1.12 119.74 113.08 1pfq s LYS 433 Ca 0.20 -1.02 0.02 0.00 -1.00 0.00 0.00 55.97 54.17 1pfq s LYS 433 Cb -0.05 -1.06 0.01 0.00 -2.06 0.00 0.00 37.83 34.68 1pfq s LYS 433 CO 0.08 0.24 -0.06 -1.50 0.10 0.00 0.00 175.35 174.21 1pfq s ILE 434 N -1.19 0.61 0.26 3.79 2.07 0.26 -1.30 121.20 125.70 1pfq s ILE 434 Ca 0.02 -0.21 -0.29 0.00 -1.41 0.00 0.00 60.65 58.75 1pfq s ILE 434 Cb -0.10 -0.59 -0.09 0.00 0.13 0.00 0.00 42.46 41.81 1pfq s ILE 434 CO 0.03 0.22 1.24 -1.10 -1.91 0.00 0.00 174.94 173.42 1pfq s GLN 435 N 0.56 4.46 0.18 3.50 -0.21 -1.03 -0.64 119.66 126.48 1pfq s GLN 435 Ca -0.08 2.02 0.01 0.00 0.02 0.00 0.00 55.36 57.33 1pfq s GLN 435 Cb -0.11 -3.16 0.07 0.00 1.00 0.00 0.00 33.01 30.81 1pfq s GLN 435 CO 0.00 -0.08 1.44 -0.07 -2.12 0.00 0.00 175.29 174.46 1pfq h LEU 436 N 4.26 0.35 0.03 2.90 3.38 -1.81 -2.17 115.31 122.24 1pfq h LEU 436 Ca -0.47 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.26 1pfq h LEU 436 Cb 1.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1pfq h LEU 436 CO 0.70 0.99 -0.02 0.77 0.09 0.00 0.00 178.44 180.97 1pfq h SER 437 N 0.19 -0.04 -2.86 -0.43 4.64 -1.92 -3.38 113.55 109.75 1pfq h SER 437 Ca -0.03 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.51 1pfq h SER 437 Cb 1.35 0.01 -0.24 0.00 -0.31 0.00 0.00 62.40 63.21 1pfq h SER 437 CO 0.12 0.05 0.91 -0.67 -0.87 0.00 0.00 176.83 176.37 1pfq n ASP 438 N -2.54 5.56 0.00 4.97 4.64 -1.26 -4.83 116.55 123.09 1pfq n ASP 438 Ca -0.01 -3.09 0.03 0.00 -1.38 0.00 0.00 54.79 50.34 1pfq n ASP 438 Cb 0.02 -1.42 0.18 0.00 -1.04 0.00 0.00 41.12 38.85 1pfq n ASP 438 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1pfq n TYR 439 N 3.37 0.00 0.36 -0.67 4.11 -0.82 -0.05 117.16 123.47 1pfq n TYR 439 Ca 0.29 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 58.33 1pfq n TYR 439 Cb 0.39 -0.10 0.52 0.00 -0.00 0.00 0.00 39.34 40.15 1pfq n TYR 439 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.86 178.01 1pfq h THR 440 N 0.00 0.00 -3.50 -3.48 2.02 -1.88 -3.41 112.91 102.65 1pfq h THR 440 Ca 0.00 -0.44 -0.65 0.00 0.77 0.00 0.00 66.41 66.10 1pfq h THR 440 Cb 0.02 1.32 -0.15 0.00 -1.74 0.00 0.00 68.15 67.61 1pfq h THR 440 CO 0.00 0.00 0.21 -0.54 0.37 0.00 0.00 175.52 175.56 1pfq s LYS 441 N -3.41 3.29 -0.03 6.66 3.01 0.93 -5.03 119.74 125.15 1pfq s LYS 441 Ca 0.04 -0.38 0.07 0.00 -1.01 0.00 0.00 55.97 54.69 1pfq s LYS 441 Cb 0.09 -3.98 -0.02 0.00 -1.01 0.00 0.00 37.83 32.91 1pfq s LYS 441 CO 0.50 -1.12 -0.24 0.08 0.51 0.00 0.00 175.35 175.08 1pfq s VAL 442 N 3.01 1.94 -0.10 3.17 1.01 -1.26 -2.47 120.40 125.70 1pfq s VAL 442 Ca 0.24 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1pfq s VAL 442 Cb -0.14 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1pfq s VAL 442 CO 0.19 0.55 -0.18 -0.89 0.00 0.00 0.00 175.10 174.76 1pfq s THR 443 N -0.40 1.64 -0.12 3.92 2.01 -0.42 -4.99 115.64 117.28 1pfq s THR 443 Ca 0.04 -0.75 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 1pfq s THR 443 Cb -0.11 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1pfq s THR 443 CO 0.01 0.47 0.73 0.00 -0.69 0.00 0.00 174.62 175.14 1pfq n LEU 445 N 4.41 0.66 0.00 0.00 4.77 0.17 -4.47 117.00 122.54 1pfq n LEU 445 Ca 0.01 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1pfq n LEU 445 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1pfq n LEU 445 CO 0.47 0.17 -0.19 -1.54 -1.33 0.00 0.00 177.39 174.97 1pfq n SER 446 N -1.74 1.90 -0.08 -1.43 3.41 -1.22 -4.83 113.62 109.63 1pfq n SER 446 Ca 0.01 -0.14 -0.07 0.00 -0.26 0.00 0.00 58.87 58.41 1pfq n SER 446 Cb 0.40 0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 65.01 1pfq n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pfq n GLU 448 N -5.25 2.26 -0.03 0.00 1.02 -1.26 -4.40 120.64 112.97 1pfq n GLU 448 Ca -0.00 -2.06 0.02 0.00 -0.02 0.00 0.00 57.16 55.10 1pfq n GLU 448 Cb 0.17 -1.40 0.34 0.00 -0.02 0.00 0.00 31.44 30.53 1pfq n GLU 448 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1pfq h LEU 449 N 3.44 0.54 -5.00 -4.62 3.38 -1.83 -3.39 115.31 107.84 1pfq h LEU 449 Ca 0.00 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1pfq h LEU 449 Cb 0.83 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 1pfq h LEU 449 CO 0.00 0.49 -0.29 -3.20 0.09 0.00 0.00 178.44 175.53 1pfq n ASN 450 N -4.38 -2.26 0.23 -0.43 2.85 -1.26 -5.07 115.26 104.94 1pfq n ASN 450 Ca 0.03 -2.39 0.07 0.00 -0.11 0.00 0.00 54.58 52.18 1pfq n ASN 450 Cb 0.14 1.29 0.56 0.00 1.24 0.00 0.00 39.78 43.01 1pfq n ASN 450 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1pfq h PRO 451 N 3.92 0.00 0.16 1.20 0.11 -1.77 -0.09 132.00 135.53 1pfq h PRO 451 Ca -0.12 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.73 1pfq h PRO 451 Cb 1.12 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.25 1pfq h PRO 451 CO 0.04 0.17 -1.23 0.93 -0.21 0.00 0.00 178.00 177.71 1pfq h GLU 452 N 0.00 0.34 0.00 1.05 5.08 -1.97 -3.37 114.58 115.71 1pfq h GLU 452 Ca -0.00 -0.59 -0.03 0.00 -1.00 0.00 0.00 59.36 57.73 1pfq h GLU 452 Cb 0.34 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1pfq h GLU 452 CO 0.02 1.28 -0.87 -0.09 -1.00 0.00 0.00 179.01 178.36 1pfq h ARG 453 N -0.20 0.00 -3.30 2.33 2.43 -1.82 -3.42 114.38 110.40 1pfq h ARG 453 Ca -0.24 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.43 1pfq h ARG 453 Cb 1.84 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.98 1pfq h ARG 453 CO 0.15 0.08 -0.76 0.00 -1.51 0.00 0.00 179.97 177.93 1pfq n GLN 455 N 5.14 -0.10 -3.74 0.00 6.02 0.16 -4.52 117.38 120.34 1pfq n GLN 455 Ca -0.08 -0.15 -0.30 0.00 -0.01 0.00 0.00 57.00 56.46 1pfq n GLN 455 Cb 0.47 -0.59 -0.15 0.00 1.02 0.00 0.00 30.24 30.99 1pfq n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1pfq s TYR 456 N -0.02 1.79 0.07 1.08 6.14 -0.90 -0.99 117.35 124.52 1pfq s TYR 456 Ca 0.00 -1.82 0.05 0.00 0.64 0.00 0.00 57.07 55.94 1pfq s TYR 456 Cb 0.00 -1.76 -0.04 0.00 0.42 0.00 0.00 41.96 40.58 1pfq s TYR 456 CO 0.00 -0.88 -0.04 0.71 0.64 0.00 0.00 175.55 175.99 1pfq s TYR 457 N 1.52 2.91 0.29 4.97 1.51 -0.18 -0.40 117.35 127.98 1pfq s TYR 457 Ca 0.10 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 1pfq s TYR 457 Cb -0.18 -1.53 -0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1pfq s TYR 457 CO -0.23 0.45 0.07 -1.54 -1.11 0.00 0.00 175.55 173.19 1pfq s SER 458 N -2.10 1.74 -0.00 2.29 1.04 -0.14 -4.65 113.70 111.89 1pfq s SER 458 Ca 0.23 -1.37 -0.04 0.00 0.48 0.00 0.00 55.95 55.25 1pfq s SER 458 Cb -0.11 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.05 1pfq s SER 458 CO 0.15 -0.67 0.07 0.54 0.98 0.00 0.00 173.24 174.31 1pfq s VAL 459 N -3.54 0.07 -0.22 5.02 0.11 -1.26 -0.38 120.40 120.21 1pfq s VAL 459 Ca 0.37 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 1pfq s VAL 459 Cb 0.08 -0.30 0.06 0.00 -1.53 0.00 0.00 36.38 34.69 1pfq s VAL 459 CO 0.14 -0.33 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.03 1pfq s SER 460 N -1.07 3.46 0.35 3.54 0.15 -0.63 -4.99 113.70 114.50 1pfq s SER 460 Ca -0.12 -1.06 -0.11 0.00 0.70 0.00 0.00 55.95 55.37 1pfq s SER 460 Cb -0.07 -0.91 -0.07 0.00 -1.71 0.00 0.00 66.02 63.26 1pfq s SER 460 CO 0.00 -0.28 0.70 -0.36 1.20 0.00 0.00 173.24 174.51 1pfq s PHE 461 N 1.60 3.44 0.84 3.44 0.40 -1.26 -0.93 117.98 125.51 1pfq s PHE 461 Ca -0.03 1.01 -0.12 0.00 -0.60 0.00 0.00 56.93 57.19 1pfq s PHE 461 Cb -0.18 -2.40 0.09 0.00 0.51 0.00 0.00 43.02 41.05 1pfq s PHE 461 CO -0.08 0.03 1.13 -1.54 0.70 0.00 0.00 175.22 175.46 1pfq s SER 462 N -2.84 4.17 0.16 1.36 1.04 0.44 -4.89 113.70 113.14 1pfq s SER 462 Ca 0.50 1.06 -0.34 0.00 0.48 0.00 0.00 55.95 57.66 1pfq s SER 462 Cb -0.10 -1.69 -0.15 0.00 0.10 0.00 0.00 66.02 64.17 1pfq s SER 462 CO 0.26 -2.14 1.31 1.17 0.98 0.00 0.00 173.24 174.82 1pfq n LYS 463 N -3.51 1.43 -0.78 4.02 4.81 -1.12 -0.25 118.16 122.76 1pfq n LYS 463 Ca 0.07 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1pfq n LYS 463 Cb 0.58 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.52 1pfq n LYS 463 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1pfq n GLU 464 N 2.23 -0.85 -2.64 1.64 -0.58 -1.26 -3.78 120.64 115.40 1pfq n GLU 464 Ca 0.16 0.21 -0.15 0.00 -0.42 0.00 0.00 57.16 56.96 1pfq n GLU 464 Cb 0.25 -4.49 0.02 0.00 -0.57 0.00 0.00 31.44 26.64 1pfq n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pfq n ALA 465 N 1.00 -0.60 0.07 0.62 0.00 0.65 -4.89 120.51 117.36 1pfq n ALA 465 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.56 1pfq n ALA 465 Cb 0.21 -2.54 0.12 0.00 0.00 0.00 0.00 19.45 17.25 1pfq n ALA 465 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1pfq h LYS 466 N -0.70 0.31 -4.82 0.00 1.79 -1.77 -3.43 116.57 107.96 1pfq h LYS 466 Ca -0.36 -0.20 -0.27 0.00 -2.18 0.00 0.00 60.65 57.64 1pfq h LYS 466 Cb 1.25 0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 31.78 1pfq h LYS 466 CO 0.40 0.79 -0.69 0.71 -1.08 0.00 0.00 179.45 179.58 1pfq s TYR 467 N -3.87 1.10 -0.08 -1.35 2.02 -1.26 -0.76 117.35 113.15 1pfq s TYR 467 Ca -0.05 -0.90 -0.11 0.00 -0.37 0.00 0.00 57.07 55.64 1pfq s TYR 467 Cb 0.12 -0.61 0.02 0.00 -0.40 0.00 0.00 41.96 41.09 1pfq s TYR 467 CO 0.80 -0.10 0.28 1.52 -1.57 0.00 0.00 175.55 176.48 1pfq s TYR 468 N -3.55 -0.25 -0.19 2.71 -0.85 -0.78 -0.42 117.35 114.01 1pfq s TYR 468 Ca 0.17 0.57 -0.17 0.00 -0.52 0.00 0.00 57.07 57.13 1pfq s TYR 468 Cb 0.05 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 1pfq s TYR 468 CO -0.01 -0.21 0.43 -1.14 -1.52 0.00 0.00 175.55 173.10 1pfq s GLN 469 N -0.30 4.20 -0.06 -3.49 0.74 -0.10 -0.97 119.66 119.68 1pfq s GLN 469 Ca -0.04 0.27 -0.17 0.00 0.05 0.00 0.00 55.36 55.47 1pfq s GLN 469 Cb -0.03 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 1pfq s GLN 469 CO 0.01 -0.03 0.45 -0.51 -0.55 0.00 0.00 175.29 174.66 1pfq s LEU 470 N 1.28 4.38 -0.28 3.68 1.43 0.14 -1.61 118.68 127.69 1pfq s LEU 470 Ca 0.21 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.22 1pfq s LEU 470 Cb -0.15 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.48 1pfq s LEU 470 CO 0.08 0.16 -0.06 -0.60 0.23 0.00 0.00 176.35 176.16 1pfq s ARG 471 N -0.22 2.24 -0.22 1.70 3.52 0.49 -1.20 118.95 125.26 1pfq s ARG 471 Ca 0.25 -1.37 -0.16 0.00 -0.13 0.00 0.00 55.73 54.32 1pfq s ARG 471 Cb -0.16 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 1pfq s ARG 471 CO 0.12 -0.62 0.40 0.00 -0.81 0.00 0.00 175.30 174.39 1pfq n SER 473 N 4.74 1.04 0.00 0.00 7.64 0.46 -1.58 113.62 125.92 1pfq n SER 473 Ca -0.08 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1pfq n SER 473 Cb 0.51 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 1pfq n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pfq n GLY 474 N 0.92 -0.75 0.14 0.23 0.00 -1.25 -0.97 105.19 103.51 1pfq n GLY 474 Ca 0.03 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 45.04 1pfq n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pfq n PRO 475 N -0.53 0.77 -0.30 1.61 -0.04 -0.70 0.38 135.00 136.19 1pfq n PRO 475 Ca 0.00 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1pfq n PRO 475 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1pfq n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pfq n GLY 476 N 1.26 -0.16 3.76 0.55 0.00 -0.18 -4.48 105.19 105.94 1pfq n GLY 476 Ca 0.15 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1pfq n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfq s LEU 477 N 0.00 4.37 0.11 0.99 1.43 -1.26 -4.55 118.68 119.77 1pfq s LEU 477 Ca 0.00 2.84 -0.34 0.00 -1.03 0.00 0.00 54.13 55.59 1pfq s LEU 477 Cb 0.00 -3.64 -0.18 0.00 0.03 0.00 0.00 46.19 42.40 1pfq s LEU 477 CO 0.00 -0.75 0.93 -2.65 0.23 0.00 0.00 176.35 174.11 1pfq n PRO 478 N 1.37 0.32 -3.89 1.29 -0.02 -1.26 -4.83 135.00 127.98 1pfq n PRO 478 Ca 0.04 0.11 -0.19 0.00 -2.02 0.00 0.00 63.50 61.44 1pfq n PRO 478 Cb 0.40 -1.46 -0.17 0.00 -0.02 0.00 0.00 33.50 32.25 1pfq n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1pfq s LEU 479 N 1.11 0.93 -0.18 2.45 2.96 -0.61 -4.17 118.68 121.17 1pfq s LEU 479 Ca 0.78 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 1pfq s LEU 479 Cb -1.05 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 1pfq s LEU 479 CO 0.55 -0.13 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.07 1pfq s TYR 480 N 1.36 2.92 0.12 5.38 1.51 0.63 -0.97 117.35 128.30 1pfq s TYR 480 Ca -0.05 -0.74 0.06 0.00 -1.01 0.00 0.00 57.07 55.33 1pfq s TYR 480 Cb -0.13 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1pfq s TYR 480 CO -0.02 -0.35 -0.15 0.95 -1.11 0.00 0.00 175.55 174.87 1pfq s THR 481 N 0.93 1.36 -0.04 -0.71 -4.23 -0.34 -0.46 115.64 112.15 1pfq s THR 481 Ca -0.01 -1.68 0.06 0.00 -1.18 0.00 0.00 61.69 58.88 1pfq s THR 481 Cb -0.15 -1.51 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 1pfq s THR 481 CO 0.00 -0.37 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.27 1pfq s LEU 482 N -2.37 2.27 0.08 4.79 2.96 -0.74 0.23 118.68 125.91 1pfq s LEU 482 Ca 0.08 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1pfq s LEU 482 Cb -0.06 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1pfq s LEU 482 CO 0.03 0.31 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.29 1pfq s HIS 483 N -0.51 0.89 -0.16 5.38 3.76 -0.14 -0.23 115.29 124.27 1pfq s HIS 483 Ca 0.07 -0.74 -0.10 0.00 -0.15 0.00 0.00 55.06 54.15 1pfq s HIS 483 Cb -0.11 -0.51 -0.05 0.00 1.11 0.00 0.00 32.58 33.02 1pfq s HIS 483 CO 0.01 -0.09 0.16 0.45 -0.85 0.00 0.00 174.74 174.42 1pfq s SER 484 N -2.51 6.32 0.43 1.40 0.15 -0.29 -1.87 113.70 117.32 1pfq s SER 484 Ca 0.05 0.37 0.19 0.00 0.70 0.00 0.00 55.95 57.25 1pfq s SER 484 Cb -0.01 -2.10 0.97 0.00 -1.71 0.00 0.00 66.02 63.17 1pfq s SER 484 CO -0.02 0.25 1.90 0.28 1.20 0.00 0.00 173.24 176.85 1pfq h SER 485 N 6.06 0.00 -0.71 5.45 0.02 -1.21 -2.26 113.55 120.90 1pfq h SER 485 Ca -0.46 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.56 1pfq h SER 485 Cb 1.18 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 1pfq h SER 485 CO 0.70 0.27 -0.44 0.58 -1.14 0.00 0.00 176.83 176.80 1pfq h VAL 486 N 0.00 0.00 -0.20 2.27 2.07 -1.91 -3.10 116.25 115.37 1pfq h VAL 486 Ca -0.00 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 1pfq h VAL 486 Cb 0.58 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 30.07 1pfq h VAL 486 CO 0.04 0.00 -0.85 0.59 0.02 0.00 0.00 177.57 177.37 1pfq n ASN 487 N -4.67 1.98 -4.32 0.57 3.02 -1.25 -4.97 115.26 105.64 1pfq n ASN 487 Ca 0.01 -2.90 -0.35 0.00 -0.03 0.00 0.00 54.58 51.31 1pfq n ASN 487 Cb 0.20 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 38.87 1pfq n ASN 487 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1pfq n ASP 488 N -0.41 -0.47 -4.72 6.41 9.92 -0.88 -4.89 116.55 121.50 1pfq n ASP 488 Ca 0.17 -1.20 -0.42 0.00 -0.53 0.00 0.00 54.79 52.81 1pfq n ASP 488 Cb 0.91 -1.52 -0.03 0.00 -0.64 0.00 0.00 41.12 39.84 1pfq n ASP 488 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1pfq s LYS 489 N -7.06 4.52 0.14 -1.24 2.47 -1.03 -4.87 119.74 112.67 1pfq s LYS 489 Ca 0.42 1.67 -0.31 0.00 -1.56 0.00 0.00 55.97 56.19 1pfq s LYS 489 Cb -0.24 -3.35 -0.08 0.00 -1.46 0.00 0.00 37.83 32.70 1pfq s LYS 489 CO 0.97 -0.09 1.30 0.20 0.16 0.00 0.00 175.35 177.88 1pfq s GLY 490 N 0.64 2.30 -0.24 5.54 0.00 -1.26 -1.13 107.32 113.15 1pfq s GLY 490 Ca 0.54 1.03 -0.14 0.00 0.00 0.00 0.00 44.72 46.15 1pfq s GLY 490 CO 0.31 2.14 -0.34 1.04 0.00 0.00 0.00 173.10 176.25 1pfq n LEU 491 N 3.39 1.85 -3.50 0.66 4.77 0.68 -4.93 117.00 119.93 1pfq n LEU 491 Ca 0.08 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.29 1pfq n LEU 491 Cb 0.44 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1pfq n LEU 491 CO 0.57 0.38 0.64 0.00 -1.33 0.00 0.00 177.39 177.66 1pfq s ARG 492 N -2.55 0.88 -0.07 3.23 1.70 -1.19 -5.02 118.95 115.93 1pfq s ARG 492 Ca -0.35 -0.29 -0.30 0.00 -0.47 0.00 0.00 55.73 54.33 1pfq s ARG 492 Cb 0.12 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.89 1pfq s ARG 492 CO 0.45 -0.38 1.00 0.08 -1.08 0.00 0.00 175.30 175.37 1pfq s VAL 493 N -3.05 4.81 -0.19 4.99 1.01 -1.26 -1.78 120.40 124.92 1pfq s VAL 493 Ca 0.04 2.05 -0.19 0.00 0.00 0.00 0.00 61.98 63.87 1pfq s VAL 493 Cb -0.01 -4.31 -0.20 0.00 0.00 0.00 0.00 36.38 31.85 1pfq s VAL 493 CO -0.09 0.06 0.25 -0.07 0.00 0.00 0.00 175.10 175.25 1pfq h LEU 494 N 7.59 0.07 -7.30 3.92 3.38 -1.11 -3.48 115.31 118.38 1pfq h LEU 494 Ca -0.34 -0.58 -0.20 0.00 0.09 0.00 0.00 57.88 56.85 1pfq h LEU 494 Cb 1.17 -0.02 -0.30 0.00 0.09 0.00 0.00 40.66 41.60 1pfq h LEU 494 CO 0.82 1.55 -0.49 -0.70 0.09 0.00 0.00 178.44 179.71 1pfq s GLU 495 N -2.39 0.20 0.00 1.13 2.56 -1.09 -4.98 118.70 114.12 1pfq s GLU 495 Ca -0.28 0.61 0.07 0.00 0.00 0.00 0.00 54.97 55.37 1pfq s GLU 495 Cb 0.06 -0.09 0.07 0.00 2.00 0.00 0.00 34.13 36.17 1pfq s GLU 495 CO 0.62 -0.20 0.76 -0.40 -0.56 0.00 0.00 175.26 175.48 1pfq n ASP 496 N 4.56 1.66 -3.17 -1.70 5.68 -1.26 -0.27 116.55 122.05 1pfq n ASP 496 Ca -0.20 -1.35 -0.23 0.00 -0.50 0.00 0.00 54.79 52.51 1pfq n ASP 496 Cb 0.52 -0.01 0.02 0.00 -1.14 0.00 0.00 41.12 40.51 1pfq n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1pfq n ASN 497 N 0.36 -5.04 -0.32 -1.12 3.02 -1.26 -4.85 115.26 106.05 1pfq n ASN 497 Ca 0.04 -0.33 0.02 0.00 -0.03 0.00 0.00 54.58 54.29 1pfq n ASN 497 Cb 0.19 -4.10 0.21 0.00 -0.61 0.00 0.00 39.78 35.46 1pfq n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1pfq h SER 498 N -1.21 0.97 -0.81 6.41 4.64 -1.94 -2.30 113.55 119.31 1pfq h SER 498 Ca -0.48 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1pfq h SER 498 Cb 1.33 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 1pfq h SER 498 CO 0.55 0.64 0.42 0.00 -0.87 0.00 0.00 176.83 177.58 1pfq h ALA 499 N 1.48 1.04 -0.24 5.18 0.00 -2.00 -2.69 119.26 122.02 1pfq h ALA 499 Ca 0.39 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1pfq h ALA 499 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pfq h ALA 499 CO -0.13 0.58 -0.44 1.25 0.00 0.00 0.00 179.25 180.50 1pfq h LEU 500 N 1.14 0.65 -0.99 0.00 5.85 -1.78 -2.91 115.31 117.27 1pfq h LEU 500 Ca 0.28 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1pfq h LEU 500 Cb 0.07 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1pfq h LEU 500 CO -0.04 1.00 0.50 -0.78 -0.34 0.00 0.00 178.44 178.78 1pfq h ASP 501 N 0.49 1.07 0.20 1.25 -0.00 -1.11 -0.47 116.42 117.85 1pfq h ASP 501 Ca 0.03 -0.08 -0.21 0.00 -0.00 0.00 0.00 57.03 56.77 1pfq h ASP 501 Cb 0.96 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 40.02 1pfq h ASP 501 CO 0.09 0.84 -0.84 0.11 -0.00 0.00 0.00 179.24 179.45 1pfq h LYS 502 N 1.21 0.49 -0.43 0.28 1.57 -1.41 -1.50 116.57 116.78 1pfq h LYS 502 Ca 0.31 -0.45 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1pfq h LYS 502 Cb -0.00 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1pfq h LYS 502 CO -0.05 1.09 0.22 0.52 -0.57 0.00 0.00 179.45 180.66 1pfq h MET 503 N 0.31 0.43 0.00 3.15 2.86 -1.32 -3.09 114.93 117.27 1pfq h MET 503 Ca -0.06 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1pfq h MET 503 Cb 1.45 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1pfq h MET 503 CO 0.15 0.29 0.00 -0.07 1.06 0.00 0.00 176.91 178.34 1pfq h LEU 504 N 0.45 0.00 -0.59 1.22 3.38 -0.48 -2.26 115.31 117.03 1pfq h LEU 504 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1pfq h LEU 504 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1pfq h LEU 504 CO -0.12 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.41 1pfq n GLN 505 N -2.72 0.17 -0.49 1.13 1.13 -0.62 -2.06 117.38 113.92 1pfq n GLN 505 Ca 0.01 0.39 0.08 0.00 -1.94 0.00 0.00 57.00 55.55 1pfq n GLN 505 Cb 0.27 -1.82 0.28 0.00 0.11 0.00 0.00 30.24 29.08 1pfq n GLN 505 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1pfq n ASN 506 N -2.13 4.13 -4.19 1.08 3.02 -0.85 -4.94 115.26 111.38 1pfq n ASN 506 Ca 0.02 -2.65 -0.26 0.00 -0.03 0.00 0.00 54.58 51.66 1pfq n ASN 506 Cb 0.22 -0.50 -0.16 0.00 -0.61 0.00 0.00 39.78 38.74 1pfq n ASN 506 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pfq s VAL 507 N -2.18 1.53 -1.10 2.41 1.01 -0.87 -3.63 120.40 117.56 1pfq s VAL 507 Ca 0.42 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 1pfq s VAL 507 Cb 0.30 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1pfq s VAL 507 CO 0.15 0.43 1.87 -1.10 0.00 0.00 0.00 175.10 176.45 1pfq s GLN 508 N -0.37 2.82 0.29 2.72 -0.21 0.49 -4.96 119.66 120.44 1pfq s GLN 508 Ca 0.05 -1.03 -0.22 0.00 0.02 0.00 0.00 55.36 54.19 1pfq s GLN 508 Cb -0.08 -5.24 -0.09 0.00 1.00 0.00 0.00 33.01 28.59 1pfq s GLN 508 CO -0.00 -3.41 0.83 -1.64 -2.12 0.00 0.00 175.29 168.95 1pfq s MET 509 N 6.18 4.36 0.89 2.91 -1.94 -1.26 -4.24 119.30 126.20 1pfq s MET 509 Ca 0.65 1.06 -0.12 0.00 -1.71 0.00 0.00 55.69 55.57 1pfq s MET 509 Cb -0.02 -2.75 0.13 0.00 2.01 0.00 0.00 34.83 34.20 1pfq s MET 509 CO 0.06 0.29 1.13 -2.14 -0.01 0.00 0.00 175.02 174.36 1pfq s PRO 510 N -2.19 1.29 0.27 2.03 0.02 -1.26 -4.25 135.00 130.90 1pfq s PRO 510 Ca 0.48 0.34 0.09 0.00 0.02 0.00 0.00 61.00 61.94 1pfq s PRO 510 Cb -0.16 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 1pfq s PRO 510 CO 0.21 -2.10 0.00 -1.54 -0.33 0.00 0.00 177.00 173.24 1pfq s SER 511 N -4.02 4.56 -0.16 2.53 1.04 0.07 -4.92 113.70 112.80 1pfq s SER 511 Ca 0.63 -0.65 -0.00 0.00 0.48 0.00 0.00 55.95 56.41 1pfq s SER 511 Cb -0.15 -0.84 -0.00 0.00 0.10 0.00 0.00 66.02 65.13 1pfq s SER 511 CO 0.53 -0.01 -0.14 -0.75 0.98 0.00 0.00 173.24 173.85 1pfq s LYS 512 N -3.68 3.25 -0.16 4.02 2.20 -1.26 0.34 119.74 124.46 1pfq s LYS 512 Ca 0.32 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 1pfq s LYS 512 Cb -0.06 -2.66 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 1pfq s LYS 512 CO 0.20 0.02 -0.11 0.21 -0.36 0.00 0.00 175.35 175.31 1pfq s LYS 513 N 0.82 3.37 -0.13 4.03 2.47 -0.07 -4.98 119.74 125.25 1pfq s LYS 513 Ca -0.05 -0.67 0.03 0.00 -1.56 0.00 0.00 55.97 53.72 1pfq s LYS 513 Cb -0.15 -2.74 0.01 0.00 -1.46 0.00 0.00 37.83 33.49 1pfq s LYS 513 CO 0.00 0.08 -0.22 -1.17 0.16 0.00 0.00 175.35 174.21 1pfq s LEU 514 N 0.70 2.15 0.00 5.43 2.96 -1.26 -0.59 118.68 128.07 1pfq s LEU 514 Ca -0.05 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.19 1pfq s LEU 514 Cb -0.15 -1.45 0.04 0.00 0.50 0.00 0.00 46.19 45.12 1pfq s LEU 514 CO 0.02 0.10 0.54 -0.67 -1.32 0.00 0.00 176.35 175.02 1pfq n ASP 515 N 3.95 -1.57 -4.21 3.68 -0.08 -0.68 -5.02 116.55 112.61 1pfq n ASP 515 Ca -0.20 -2.21 -0.13 0.00 -1.51 0.00 0.00 54.79 50.74 1pfq n ASP 515 Cb 0.52 2.65 -0.10 0.00 2.34 0.00 0.00 41.12 46.52 1pfq n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1pfq s PHE 516 N -3.89 1.12 0.27 -0.67 -0.71 -1.26 -0.61 117.98 112.23 1pfq s PHE 516 Ca 0.13 -0.78 0.11 0.00 -1.04 0.00 0.00 56.93 55.36 1pfq s PHE 516 Cb -0.03 -0.60 -0.05 0.00 -1.21 0.00 0.00 43.02 41.13 1pfq s PHE 516 CO 0.10 0.00 -0.16 0.42 -1.34 0.00 0.00 175.22 174.24 1pfq s ILE 517 N -3.24 2.66 -0.17 -4.49 1.01 0.43 -4.92 121.20 112.47 1pfq s ILE 517 Ca 0.13 -2.30 -0.02 0.00 0.00 0.00 0.00 60.65 58.47 1pfq s ILE 517 Cb 0.02 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1pfq s ILE 517 CO -0.01 -0.38 -0.09 0.27 0.00 0.00 0.00 174.94 174.73 1pfq s ILE 518 N -2.44 3.20 -0.26 2.92 -4.36 -1.26 0.15 121.20 119.15 1pfq s ILE 518 Ca 0.30 -0.58 0.03 0.00 -0.26 0.00 0.00 60.65 60.14 1pfq s ILE 518 Cb -0.05 -2.40 0.06 0.00 1.25 0.00 0.00 42.46 41.32 1pfq s ILE 518 CO 0.16 0.48 -0.10 -0.76 0.24 0.00 0.00 174.94 174.96 1pfq s LEU 519 N 0.84 3.49 0.00 0.37 1.43 0.43 -4.95 118.68 120.29 1pfq s LEU 519 Ca -0.03 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 1pfq s LEU 519 Cb -0.15 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1pfq s LEU 519 CO 0.01 -0.20 0.00 0.59 0.23 0.00 0.00 176.35 176.98 1pfq n ASN 520 N 4.43 0.00 -0.11 2.29 3.02 -1.26 -3.21 115.26 120.42 1pfq n ASN 520 Ca -0.13 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.56 1pfq n ASN 520 Cb 0.42 0.00 0.78 0.00 -0.61 0.00 0.00 39.78 40.37 1pfq n ASN 520 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1pfq n GLU 521 N 13.18 1.15 -4.41 3.52 0.28 -1.26 -4.89 120.64 128.20 1pfq n GLU 521 Ca 0.00 -0.22 -0.21 0.00 -0.16 0.00 0.00 57.16 56.58 1pfq n GLU 521 Cb 0.00 -1.45 -0.14 0.00 1.43 0.00 0.00 31.44 31.28 1pfq n GLU 521 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1pfq s THR 522 N -1.99 1.18 0.05 3.84 2.01 -1.20 -5.14 115.64 114.40 1pfq s THR 522 Ca 0.42 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1pfq s THR 522 Cb 0.20 -1.06 -0.06 0.00 0.01 0.00 0.00 72.50 71.59 1pfq s THR 522 CO 0.33 0.05 0.42 -1.59 -0.69 0.00 0.00 174.62 173.14 1pfq s LYS 523 N -1.08 3.85 -0.04 4.92 -2.85 -1.26 -0.43 119.74 122.84 1pfq s LYS 523 Ca 0.03 0.31 0.03 0.00 -1.00 0.00 0.00 55.97 55.33 1pfq s LYS 523 Cb -0.08 -3.09 0.01 0.00 -2.06 0.00 0.00 37.83 32.61 1pfq s LYS 523 CO 0.01 0.61 -0.12 -0.06 0.10 0.00 0.00 175.35 175.90 1pfq s PHE 524 N -1.26 1.30 0.14 1.78 0.40 0.40 -4.95 117.98 115.78 1pfq s PHE 524 Ca 0.29 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1pfq s PHE 524 Cb -0.15 -0.93 -0.06 0.00 0.51 0.00 0.00 43.02 42.39 1pfq s PHE 524 CO 0.16 -0.18 0.38 -1.58 0.70 0.00 0.00 175.22 174.69 1pfq s TRP 525 N 0.36 3.48 0.10 0.36 0.52 -1.26 -0.43 118.94 122.08 1pfq s TRP 525 Ca -0.08 0.57 -0.06 0.00 0.02 0.00 0.00 56.10 56.55 1pfq s TRP 525 Cb -0.12 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.17 1pfq s TRP 525 CO 0.02 0.44 0.16 1.52 0.02 0.00 0.00 176.95 179.11 1pfq s TYR 526 N -1.63 0.36 0.14 -1.98 -0.85 0.22 -1.12 117.35 112.48 1pfq s TYR 526 Ca 0.40 -0.79 0.09 0.00 -0.52 0.00 0.00 57.07 56.25 1pfq s TYR 526 Cb -0.12 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 1pfq s TYR 526 CO 0.24 -0.55 -0.21 1.14 -1.52 0.00 0.00 175.55 174.65 1pfq s GLN 527 N -3.92 1.27 -0.08 -3.49 -2.07 -0.44 -1.69 119.66 109.23 1pfq s GLN 527 Ca 0.10 -1.33 0.03 0.00 -1.82 0.00 0.00 55.36 52.34 1pfq s GLN 527 Cb 0.05 -1.48 0.01 0.00 -1.09 0.00 0.00 33.01 30.50 1pfq s GLN 527 CO -0.07 0.33 -0.16 -1.64 -1.32 0.00 0.00 175.29 172.43 1pfq s MET 528 N -2.38 2.14 -0.29 9.60 -1.94 0.25 -0.88 119.30 125.80 1pfq s MET 528 Ca 0.13 -0.56 -0.29 0.00 -1.71 0.00 0.00 55.69 53.25 1pfq s MET 528 Cb -0.08 -1.71 0.01 0.00 2.01 0.00 0.00 34.83 35.06 1pfq s MET 528 CO 0.06 0.07 1.16 0.42 -0.01 0.00 0.00 175.02 176.72 1pfq s ILE 529 N 0.58 4.40 -0.16 2.53 -1.09 0.26 -0.89 121.20 126.82 1pfq s ILE 529 Ca -0.16 1.62 -0.06 0.00 -2.23 0.00 0.00 60.65 59.83 1pfq s ILE 529 Cb -0.16 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 1pfq s ILE 529 CO 0.05 -0.41 0.04 -0.76 -1.23 0.00 0.00 174.94 172.63 1pfq s LEU 530 N 3.78 3.68 0.51 2.97 1.43 0.15 -2.09 118.68 129.12 1pfq s LEU 530 Ca 0.49 0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 53.42 1pfq s LEU 530 Cb -0.15 -1.91 -0.07 0.00 0.03 0.00 0.00 46.19 44.09 1pfq s LEU 530 CO 0.16 0.20 1.27 -2.65 0.23 0.00 0.00 176.35 175.56 1pfq n PRO 531 N 3.34 1.66 -2.07 1.29 -0.02 -1.26 -0.75 135.00 137.19 1pfq n PRO 531 Ca -0.17 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.53 1pfq n PRO 531 Cb 0.52 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1pfq n PRO 531 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1pfq s PRO 532 N -2.62 3.87 -0.22 0.52 0.04 -1.26 -3.38 135.00 131.95 1pfq s PRO 532 Ca 0.68 2.09 -0.01 0.00 0.04 0.00 0.00 61.00 63.80 1pfq s PRO 532 Cb -0.45 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1pfq s PRO 532 CO 0.52 -0.55 0.19 0.72 0.04 0.00 0.00 177.00 177.92 1pfq n HIS 533 N -0.05 -0.47 -2.60 0.56 8.25 -1.26 -4.97 115.22 114.68 1pfq n HIS 533 Ca 0.05 0.16 -0.43 0.00 -0.26 0.00 0.00 57.72 57.24 1pfq n HIS 533 Cb 0.44 -1.66 -0.02 0.00 1.12 0.00 0.00 29.99 29.88 1pfq n HIS 533 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1pfq s PHE 534 N -3.04 2.82 -0.27 4.41 2.19 -1.22 -4.99 117.98 117.88 1pfq s PHE 534 Ca 0.09 0.72 -0.16 0.00 0.33 0.00 0.00 56.93 57.92 1pfq s PHE 534 Cb -0.04 -4.42 -0.03 0.00 -1.31 0.00 0.00 43.02 37.21 1pfq s PHE 534 CO 0.12 -1.26 0.41 0.34 1.83 0.00 0.00 175.22 176.66 1pfq s ASP 535 N 2.44 6.30 0.00 6.13 -1.08 -1.26 -4.95 116.67 124.25 1pfq s ASP 535 Ca 0.48 0.35 0.30 0.00 -0.52 0.00 0.00 52.55 53.16 1pfq s ASP 535 Cb -0.07 -2.23 1.67 0.00 -1.46 0.00 0.00 42.92 40.83 1pfq s ASP 535 CO 0.31 -0.21 2.10 1.17 0.52 0.00 0.00 175.17 179.06 1pfq n LYS 536 N 5.37 0.71 -0.10 4.34 4.81 -1.26 -2.71 118.16 129.32 1pfq n LYS 536 Ca -0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.26 1pfq n LYS 536 Cb 0.50 -1.50 -0.12 0.00 0.02 0.00 0.00 35.03 33.93 1pfq n LYS 536 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1pfq n SER 537 N -1.13 1.33 -4.59 3.14 7.64 -1.26 -3.13 113.62 115.61 1pfq n SER 537 Ca 0.19 -0.05 -0.29 0.00 1.01 0.00 0.00 58.87 59.73 1pfq n SER 537 Cb 0.17 0.41 0.21 0.00 -1.01 0.00 0.00 64.21 63.99 1pfq n SER 537 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1pfq s LYS 538 N -2.43 -0.12 -0.33 1.43 -0.14 -1.10 -4.46 119.74 112.60 1pfq s LYS 538 Ca -0.17 0.82 -0.03 0.00 -1.36 0.00 0.00 55.97 55.23 1pfq s LYS 538 Cb 0.06 -1.65 0.05 0.00 -1.68 0.00 0.00 37.83 34.62 1pfq s LYS 538 CO 0.63 -3.18 0.06 0.15 -0.76 0.00 0.00 175.35 172.26 1pfq s LYS 539 N -4.67 2.44 -0.10 1.68 1.02 -1.26 -3.24 119.74 115.61 1pfq s LYS 539 Ca 0.67 -1.31 -0.05 0.00 0.02 0.00 0.00 55.97 55.29 1pfq s LYS 539 Cb -0.22 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1pfq s LYS 539 CO 0.61 -0.70 0.12 0.71 -0.92 0.00 0.00 175.35 175.18 1pfq s TYR 540 N 1.29 3.51 0.53 3.18 2.02 0.15 -4.64 117.35 123.38 1pfq s TYR 540 Ca -0.02 0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 56.92 1pfq s TYR 540 Cb -0.20 -1.89 -0.06 0.00 -0.40 0.00 0.00 41.96 39.41 1pfq s TYR 540 CO -0.00 0.68 1.16 -1.25 -1.57 0.00 0.00 175.55 174.56 1pfq s PRO 541 N -1.16 3.41 -0.12 -1.71 0.04 -1.26 0.95 135.00 135.15 1pfq s PRO 541 Ca 0.17 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1pfq s PRO 541 Cb -0.12 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1pfq s PRO 541 CO 0.06 -0.82 -0.12 -1.17 0.04 0.00 0.00 177.00 174.99 1pfq s LEU 542 N -3.62 1.50 -0.28 -3.56 0.20 -0.40 -1.79 118.68 110.72 1pfq s LEU 542 Ca 0.71 -0.40 -0.13 0.00 0.69 0.00 0.00 54.13 55.00 1pfq s LEU 542 Cb -0.26 -1.02 -0.04 0.00 -0.43 0.00 0.00 46.19 44.44 1pfq s LEU 542 CO 0.30 -0.06 0.28 -0.22 -0.29 0.00 0.00 176.35 176.36 1pfq s LEU 543 N 1.45 4.07 -0.55 -0.68 0.20 0.03 0.68 118.68 123.89 1pfq s LEU 543 Ca 0.02 0.09 -0.24 0.00 0.69 0.00 0.00 54.13 54.69 1pfq s LEU 543 Cb -0.13 -2.26 0.04 0.00 -0.43 0.00 0.00 46.19 43.41 1pfq s LEU 543 CO -0.08 -0.13 0.92 -0.22 -0.29 0.00 0.00 176.35 176.55 1pfq s LEU 544 N 1.90 4.16 -0.27 -0.68 2.96 0.21 -1.76 118.68 125.21 1pfq s LEU 544 Ca 0.11 -0.39 -0.27 0.00 -0.22 0.00 0.00 54.13 53.36 1pfq s LEU 544 Cb -0.16 -2.80 0.01 0.00 0.50 0.00 0.00 46.19 43.73 1pfq s LEU 544 CO 0.11 -1.20 0.95 -0.62 -1.32 0.00 0.00 176.35 174.26 1pfq s ASP 545 N 2.83 6.90 0.01 3.68 3.68 -0.24 -1.03 116.67 132.52 1pfq s ASP 545 Ca 0.29 1.06 0.05 0.00 2.13 0.00 0.00 52.55 56.08 1pfq s ASP 545 Cb -0.13 -2.49 -0.02 0.00 -1.45 0.00 0.00 42.92 38.83 1pfq s ASP 545 CO 0.19 -0.69 -0.16 0.54 0.13 0.00 0.00 175.17 175.18 1pfq s VAL 546 N 3.20 1.30 0.00 1.11 0.11 0.04 -4.37 120.40 121.80 1pfq s VAL 546 Ca 0.40 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 1pfq s VAL 546 Cb -0.14 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1pfq s VAL 546 CO 0.10 0.23 0.00 0.00 -3.33 0.00 0.00 175.10 172.10 1pfq n TYR 547 N 2.30 0.00 -1.86 1.54 4.19 -1.26 -4.08 117.16 117.99 1pfq n TYR 547 Ca -0.16 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 60.93 1pfq n TYR 547 Cb 0.54 0.08 -0.03 0.00 0.49 0.00 0.00 39.34 40.43 1pfq n TYR 547 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1pfq n ALA 548 N -1.78 -0.29 -1.38 2.98 0.00 -1.26 -3.52 120.51 115.26 1pfq n ALA 548 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 1pfq n ALA 548 Cb 0.00 -1.48 0.07 0.00 0.00 0.00 0.00 19.45 18.04 1pfq n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pfq s GLY 549 N -2.62 1.68 0.49 0.00 0.00 -1.26 -4.76 107.32 100.85 1pfq s GLY 549 Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 44.72 44.68 1pfq s GLY 549 CO 0.00 0.53 1.42 2.56 0.00 0.00 0.00 173.10 177.61 1pfq s PRO 550 N -4.94 3.47 0.00 2.90 0.04 -1.26 -2.36 135.00 132.85 1pfq s PRO 550 Ca 0.60 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.03 1pfq s PRO 550 Cb -0.16 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1pfq s PRO 550 CO 0.55 -0.98 0.00 0.00 0.04 0.00 0.00 177.00 176.62 1pfq s SER 552 N -2.10 5.43 -0.17 0.00 1.04 -0.99 -3.84 113.70 113.07 1pfq s SER 552 Ca 0.00 -0.31 -0.07 0.00 0.48 0.00 0.00 55.95 56.05 1pfq s SER 552 Cb 0.00 -0.63 0.08 0.00 0.10 0.00 0.00 66.02 65.57 1pfq s SER 552 CO 0.00 -0.98 0.37 -1.58 0.98 0.00 0.00 173.24 172.04 1pfq s GLN 553 N -4.54 0.29 0.00 4.02 0.74 -1.26 -0.99 119.66 117.92 1pfq s GLN 553 Ca 0.57 0.90 0.01 0.00 0.05 0.00 0.00 55.36 56.89 1pfq s GLN 553 Cb -0.10 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1pfq s GLN 553 CO 0.36 -0.24 0.33 1.17 -0.55 0.00 0.00 175.29 176.35 1pfq n LYS 554 N 5.13 2.22 -3.85 1.67 3.00 -1.26 -4.89 118.16 120.18 1pfq n LYS 554 Ca -0.11 -0.33 -0.36 0.00 -0.00 0.00 0.00 58.31 57.51 1pfq n LYS 554 Cb 0.51 -0.82 -0.13 0.00 0.00 0.00 0.00 35.03 34.58 1pfq n LYS 554 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pfq s ALA 555 N -0.48 2.90 0.00 3.14 0.00 -1.26 -4.77 121.76 121.29 1pfq s ALA 555 Ca 0.01 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1pfq s ALA 555 Cb 0.01 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1pfq s ALA 555 CO 0.02 -1.18 0.00 -0.40 0.00 0.00 0.00 175.76 174.20 1pfq n ASP 556 N 4.72 0.00 -1.02 0.00 5.68 -1.26 -4.40 116.55 120.27 1pfq n ASP 556 Ca -0.14 -0.79 0.09 0.00 -0.50 0.00 0.00 54.79 53.46 1pfq n ASP 556 Cb 0.45 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.66 1pfq n ASP 556 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1pfq n THR 557 N 0.00 0.88 -2.80 2.12 -1.04 -0.94 -4.97 114.28 107.53 1pfq n THR 557 Ca 0.00 -0.94 -0.39 0.00 -2.04 0.00 0.00 64.05 60.68 1pfq n THR 557 Cb 0.00 0.61 -0.06 0.00 -1.82 0.00 0.00 70.33 69.06 1pfq n THR 557 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pfq s VAL 558 N -1.06 4.15 -0.20 12.58 1.01 -1.26 -1.72 120.40 133.89 1pfq s VAL 558 Ca 0.36 1.97 -0.25 0.00 0.00 0.00 0.00 61.98 64.06 1pfq s VAL 558 Cb 0.19 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1pfq s VAL 558 CO 0.26 0.44 0.84 0.12 0.00 0.00 0.00 175.10 176.76 1pfq s PHE 559 N -1.26 3.38 -0.02 5.22 2.19 -0.15 -4.90 117.98 122.45 1pfq s PHE 559 Ca 0.42 1.23 0.04 0.00 0.33 0.00 0.00 56.93 58.94 1pfq s PHE 559 Cb -0.24 -3.04 -0.01 0.00 -1.31 0.00 0.00 43.02 38.42 1pfq s PHE 559 CO 0.29 -0.31 -0.13 1.03 1.83 0.00 0.00 175.22 177.93 1pfq s ARG 560 N 2.46 1.13 -0.38 10.12 0.52 -1.26 -4.92 118.95 126.62 1pfq s ARG 560 Ca 0.37 -0.46 -0.08 0.00 -0.52 0.00 0.00 55.73 55.04 1pfq s ARG 560 Cb -0.16 -1.07 0.05 0.00 0.52 0.00 0.00 34.95 34.29 1pfq s ARG 560 CO 0.10 0.26 0.18 -0.51 0.02 0.00 0.00 175.30 175.35 1pfq s LEU 561 N -0.21 4.72 0.00 2.53 1.43 -1.26 -4.89 118.68 121.00 1pfq s LEU 561 Ca 0.03 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 1pfq s LEU 561 Cb -0.06 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1pfq s LEU 561 CO -0.00 -0.42 0.00 -0.46 0.23 0.00 0.00 176.35 175.70 1pfq n ASN 562 N 4.89 0.00 -0.30 2.29 0.23 -1.26 -5.01 115.26 116.10 1pfq n ASN 562 Ca -0.11 -0.80 -0.00 0.00 -0.53 0.00 0.00 54.58 53.14 1pfq n ASN 562 Cb 0.44 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.27 1pfq n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1pfq h TRP 563 N 0.80 0.94 -0.37 -2.53 7.01 -1.97 -1.31 115.95 118.52 1pfq h TRP 563 Ca 0.00 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.06 1pfq h TRP 563 Cb 0.00 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.74 1pfq h TRP 563 CO 0.00 0.49 0.25 0.00 -2.79 0.00 0.00 178.44 176.39 1pfq h ALA 564 N 1.38 1.87 -0.70 2.65 0.00 -1.98 -0.54 119.26 121.94 1pfq h ALA 564 Ca 0.35 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1pfq h ALA 564 Cb 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1pfq h ALA 564 CO -0.16 0.09 0.24 1.15 0.00 0.00 0.00 179.25 180.57 1pfq h THR 565 N 0.38 1.25 -0.25 0.00 2.02 -1.58 -0.99 112.91 113.75 1pfq h THR 565 Ca 0.15 -0.84 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 1pfq h THR 565 Cb 0.12 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1pfq h THR 565 CO -0.03 0.33 -0.35 0.22 0.37 0.00 0.00 175.52 176.06 1pfq h TYR 566 N 1.01 0.82 -0.36 3.16 5.03 -1.15 -0.74 116.97 124.74 1pfq h TYR 566 Ca 0.23 -0.27 0.02 0.00 2.58 0.00 0.00 58.73 61.28 1pfq h TYR 566 Cb 0.26 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 1pfq h TYR 566 CO 0.02 1.03 0.20 -0.07 -1.32 0.00 0.00 178.16 178.02 1pfq h LEU 567 N 0.39 0.31 0.07 2.82 3.38 -0.89 0.14 115.31 121.53 1pfq h LEU 567 Ca 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1pfq h LEU 567 Cb 0.93 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1pfq h LEU 567 CO 0.08 0.23 -0.03 0.00 0.09 0.00 0.00 178.44 178.81 1pfq h ALA 568 N 1.17 -0.09 -0.25 1.53 0.00 -1.17 -1.42 119.26 119.03 1pfq h ALA 568 Ca 0.15 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1pfq h ALA 568 Cb 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pfq h ALA 568 CO -0.08 -0.38 -0.40 1.03 0.00 0.00 0.00 179.25 179.42 1pfq h SER 569 N -0.44 0.79 0.04 0.00 0.87 -0.95 -2.69 113.55 111.18 1pfq h SER 569 Ca -0.01 -0.52 -0.38 0.00 -1.23 0.00 0.00 61.79 59.65 1pfq h SER 569 Cb 0.38 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 1pfq h SER 569 CO 0.02 1.16 -2.24 0.41 -0.53 0.00 0.00 176.83 175.64 1pfq n THR 570 N -4.19 1.59 0.93 2.23 -1.04 0.47 -4.56 114.28 109.71 1pfq n THR 570 Ca -0.05 -0.53 0.10 0.00 -2.04 0.00 0.00 64.05 61.53 1pfq n THR 570 Cb 0.54 -1.63 -0.04 0.00 -1.82 0.00 0.00 70.33 67.38 1pfq n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pfq n GLU 571 N -3.56 1.03 -3.24 -2.82 -0.58 -0.73 -4.98 120.64 105.77 1pfq n GLU 571 Ca -0.42 -0.62 -0.16 0.00 -0.42 0.00 0.00 57.16 55.54 1pfq n GLU 571 Cb 0.97 -1.43 0.06 0.00 -0.57 0.00 0.00 31.44 30.47 1pfq n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1pfq n ASN 572 N -0.54 -4.62 -4.54 1.62 5.03 -0.62 -4.97 115.26 106.62 1pfq n ASN 572 Ca 0.07 -0.39 -0.34 0.00 0.87 0.00 0.00 54.58 54.79 1pfq n ASN 572 Cb 0.39 -3.73 -0.12 0.00 -1.02 0.00 0.00 39.78 35.31 1pfq n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pfq s ILE 573 N -3.23 3.86 -0.07 2.41 1.01 -0.89 -4.54 121.20 119.74 1pfq s ILE 573 Ca 0.35 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 1pfq s ILE 573 Cb -0.15 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1pfq s ILE 573 CO 0.52 0.54 1.06 -0.63 0.00 0.00 0.00 174.94 176.42 1pfq s ILE 574 N -0.12 4.64 -0.30 2.92 1.01 -0.74 -3.29 121.20 125.32 1pfq s ILE 574 Ca 0.02 1.92 -0.05 0.00 0.00 0.00 0.00 60.65 62.54 1pfq s ILE 574 Cb -0.13 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.14 1pfq s ILE 574 CO 0.03 0.03 0.05 -0.69 0.00 0.00 0.00 174.94 174.35 1pfq s VAL 575 N 1.90 3.56 0.07 2.92 1.01 -0.89 -0.79 120.40 128.19 1pfq s VAL 575 Ca 0.51 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1pfq s VAL 575 Cb -0.21 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1pfq s VAL 575 CO 0.21 -0.01 -0.05 0.00 0.00 0.00 0.00 175.10 175.25 1pfq s ALA 576 N 1.40 3.11 0.13 5.51 0.00 -0.72 0.90 121.76 132.08 1pfq s ALA 576 Ca -0.00 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.87 1pfq s ALA 576 Cb -0.18 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1pfq s ALA 576 CO 0.01 0.66 -0.12 -1.12 0.00 0.00 0.00 175.76 175.19 1pfq s SER 577 N -2.05 1.83 -0.02 0.00 0.01 -0.06 -1.07 113.70 112.33 1pfq s SER 577 Ca 0.22 -0.90 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 1pfq s SER 577 Cb -0.11 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.11 1pfq s SER 577 CO 0.14 -0.24 0.04 0.12 0.41 0.00 0.00 173.24 173.71 1pfq s PHE 578 N -2.69 -0.01 -0.50 2.43 5.36 -1.26 -1.33 117.98 119.98 1pfq s PHE 578 Ca 0.12 0.16 -0.13 0.00 -0.96 0.00 0.00 56.93 56.12 1pfq s PHE 578 Cb -0.01 -0.17 0.12 0.00 -0.34 0.00 0.00 43.02 42.62 1pfq s PHE 578 CO 0.02 -0.08 0.42 -0.51 -1.46 0.00 0.00 175.22 173.60 1pfq s ASP 579 N 0.88 5.95 0.00 6.13 1.01 -0.28 -4.86 116.67 125.50 1pfq s ASP 579 Ca -0.07 -1.84 0.00 0.00 0.71 0.00 0.00 52.55 51.35 1pfq s ASP 579 Cb -0.10 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1pfq s ASP 579 CO -0.03 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.19 1pfq n GLY 580 N 5.08 1.75 3.76 0.21 0.00 -1.26 -4.04 105.19 110.70 1pfq n GLY 580 Ca -0.11 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 1pfq n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pfq s ARG 581 N 3.01 3.75 -0.96 1.61 0.52 -1.26 -0.66 118.95 124.95 1pfq s ARG 581 Ca 0.00 2.19 -0.04 0.00 -0.52 0.00 0.00 55.73 57.37 1pfq s ARG 581 Cb 0.00 -2.62 0.24 0.00 0.52 0.00 0.00 34.95 33.09 1pfq s ARG 581 CO 0.00 -0.69 0.89 0.41 0.02 0.00 0.00 175.30 175.93 1pfq n GLY 582 N 0.63 4.16 3.60 -3.53 0.00 -1.26 -3.55 105.19 105.25 1pfq n GLY 582 Ca 0.05 -2.60 -0.28 0.00 0.00 0.00 0.00 46.02 43.20 1pfq n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pfq s SER 583 N 0.20 1.86 0.10 1.61 1.04 0.17 -3.23 113.70 115.45 1pfq s SER 583 Ca 0.29 1.28 0.00 0.00 0.48 0.00 0.00 55.95 58.00 1pfq s SER 583 Cb -0.07 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1pfq s SER 583 CO -0.11 -3.62 0.00 0.61 0.98 0.00 0.00 173.24 171.10 1pfq n GLY 584 N -0.34 1.11 2.94 7.32 0.00 -0.16 -3.63 105.19 112.44 1pfq n GLY 584 Ca 0.04 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1pfq n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pfq n TYR 585 N -0.44 2.34 -1.81 1.61 4.01 -1.26 -4.75 117.16 116.86 1pfq n TYR 585 Ca 0.00 -2.65 0.05 0.00 -0.16 0.00 0.00 57.90 55.14 1pfq n TYR 585 Cb 0.00 -1.21 0.09 0.00 -0.31 0.00 0.00 39.34 37.91 1pfq n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1pfq n GLN 586 N 1.15 0.70 0.00 -0.72 6.02 -1.26 -4.39 117.38 118.87 1pfq n GLN 586 Ca 0.28 -2.20 0.00 0.00 -0.01 0.00 0.00 57.00 55.07 1pfq n GLN 586 Cb 0.33 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.70 1pfq n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pfq n GLY 587 N -0.49 1.44 0.20 1.08 0.00 -1.26 -4.56 105.19 101.60 1pfq n GLY 587 Ca 0.10 -1.84 0.06 0.00 0.00 0.00 0.00 46.02 44.33 1pfq n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pfq h ASP 588 N 0.00 0.00 -0.71 1.61 3.32 -0.39 -2.22 116.42 118.03 1pfq h ASP 588 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1pfq h ASP 588 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1pfq h ASP 588 CO 0.00 0.35 0.40 0.11 -1.72 0.00 0.00 179.24 178.39 1pfq h LYS 589 N 0.00 0.71 0.16 3.56 1.57 -1.85 0.91 116.57 121.62 1pfq h LYS 589 Ca -0.00 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 1pfq h LYS 589 Cb 0.78 -0.16 0.02 0.00 0.08 0.00 0.00 32.23 32.95 1pfq h LYS 589 CO 0.05 0.47 -1.01 0.82 -0.57 0.00 0.00 179.45 179.21 1pfq h ILE 590 N 0.74 1.41 -0.48 1.86 2.04 -1.75 -3.33 117.51 117.99 1pfq h ILE 590 Ca 0.32 -2.55 -0.12 0.00 1.00 0.00 0.00 64.86 63.52 1pfq h ILE 590 Cb 0.21 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 1pfq h ILE 590 CO -0.19 0.73 -0.17 -0.03 0.00 0.00 0.00 178.15 178.50 1pfq h MET 591 N -0.28 0.97 -0.01 2.37 4.05 -1.16 -3.07 114.93 117.80 1pfq h MET 591 Ca -0.18 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1pfq h MET 591 Cb 1.75 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.50 1pfq h MET 591 CO 0.16 1.06 -0.03 0.72 0.23 0.00 0.00 176.91 179.06 1pfq n HIS 592 N -4.17 0.00 0.29 1.39 8.25 0.29 -4.11 115.22 117.16 1pfq n HIS 592 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 1pfq n HIS 592 Cb 0.43 -0.03 0.89 0.00 1.12 0.00 0.00 29.99 32.40 1pfq n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pfq h ALA 593 N 4.13 1.32 -0.67 -1.41 0.00 -1.64 -0.09 119.26 120.90 1pfq h ALA 593 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pfq h ALA 593 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pfq h ALA 593 CO 0.00 0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.74 1pfq n ILE 594 N -3.60 1.57 -1.63 0.00 -5.35 -1.26 -4.92 119.36 104.17 1pfq n ILE 594 Ca -0.02 -1.14 -0.49 0.00 -0.27 0.00 0.00 62.75 60.83 1pfq n ILE 594 Cb 0.15 0.25 -0.05 0.00 -1.74 0.00 0.00 39.64 38.24 1pfq n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1pfq n ASN 595 N 1.28 2.38 0.00 7.28 4.05 -0.05 -0.67 115.26 129.53 1pfq n ASN 595 Ca 0.25 1.10 0.00 0.00 0.45 0.00 0.00 54.58 56.39 1pfq n ASN 595 Cb 0.80 -1.31 0.00 0.00 1.23 0.00 0.00 39.78 40.50 1pfq n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1pfq n ARG 596 N 2.91 -1.30 -2.56 1.20 1.74 0.32 -4.78 116.66 114.19 1pfq n ARG 596 Ca 0.17 0.33 -0.04 0.00 -0.77 0.00 0.00 57.85 57.54 1pfq n ARG 596 Cb 0.24 -4.70 0.05 0.00 -1.02 0.00 0.00 32.46 27.03 1pfq n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pfq n ARG 597 N -0.10 1.95 -1.55 5.56 5.12 0.16 -4.90 116.66 122.89 1pfq n ARG 597 Ca 0.00 -3.52 -0.42 0.00 -1.93 0.00 0.00 57.85 51.98 1pfq n ARG 597 Cb 0.33 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1pfq n ARG 597 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1pfq n LEU 598 N -0.55 1.51 0.00 0.55 4.77 -1.19 -2.73 117.00 119.36 1pfq n LEU 598 Ca 0.14 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 1pfq n LEU 598 Cb 0.85 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1pfq n LEU 598 CO 0.12 -1.93 0.00 0.61 -1.33 0.00 0.00 177.39 174.85 1pfq n GLY 599 N 1.40 0.46 0.00 -0.72 0.00 -1.26 -4.89 105.19 100.18 1pfq n GLY 599 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1pfq n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pfq n THR 600 N -3.08 0.00 0.06 2.61 -2.24 -1.10 -4.74 114.28 105.79 1pfq n THR 600 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1pfq n THR 600 Cb 0.10 -0.19 0.21 0.00 -2.10 0.00 0.00 70.33 68.34 1pfq n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1pfq h PHE 601 N 0.00 0.41 -0.31 4.78 0.04 -1.91 -0.05 116.94 119.90 1pfq h PHE 601 Ca 0.00 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 60.73 1pfq h PHE 601 Cb 0.00 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 1pfq h PHE 601 CO 0.00 0.66 -0.03 1.05 -0.60 0.00 0.00 178.31 179.39 1pfq h GLU 602 N 0.31 0.05 -0.32 1.51 4.11 -1.91 -0.51 114.58 117.81 1pfq h GLU 602 Ca 0.04 -0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.36 1pfq h GLU 602 Cb 0.75 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1pfq h GLU 602 CO 0.06 0.03 -0.20 0.28 0.07 0.00 0.00 179.01 179.25 1pfq h VAL 603 N 0.05 1.29 -0.66 -1.06 2.07 -1.65 -2.95 116.25 113.34 1pfq h VAL 603 Ca 0.15 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.40 1pfq h VAL 603 Cb 0.21 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1pfq h VAL 603 CO -0.28 0.43 0.35 -0.08 0.02 0.00 0.00 177.57 178.02 1pfq h GLU 604 N 0.47 0.63 0.00 1.57 4.81 -0.78 -2.90 114.58 118.39 1pfq h GLU 604 Ca 0.07 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1pfq h GLU 604 Cb 0.74 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1pfq h GLU 604 CO 0.06 0.42 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.80 1pfq h ASP 605 N 0.65 0.00 -0.34 1.04 3.45 -0.97 -1.37 116.42 118.87 1pfq h ASP 605 Ca 0.30 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.67 1pfq h ASP 605 Cb 0.22 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1pfq h ASP 605 CO -0.20 0.51 -0.15 1.56 -1.57 0.00 0.00 179.24 179.40 1pfq h GLN 606 N 0.00 0.70 0.04 3.56 1.08 -1.35 -0.51 115.11 118.63 1pfq h GLN 606 Ca -0.01 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1pfq h GLN 606 Cb 0.98 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1pfq h GLN 606 CO 0.07 0.90 -0.02 0.82 -0.95 0.00 0.00 178.83 179.64 1pfq h ILE 607 N 0.48 1.01 -0.68 2.54 2.04 -1.31 -1.75 117.51 119.85 1pfq h ILE 607 Ca 0.08 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1pfq h ILE 607 Cb 0.68 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 1pfq h ILE 607 CO 0.05 0.04 0.36 -0.08 0.00 0.00 0.00 178.15 178.52 1pfq h GLU 608 N -0.12 0.63 -0.23 2.37 4.57 -1.23 -0.75 114.58 119.81 1pfq h GLU 608 Ca -0.01 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1pfq h GLU 608 Cb 0.11 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 1pfq h GLU 608 CO 0.01 0.42 -0.07 0.00 -1.18 0.00 0.00 179.01 178.19 1pfq h ALA 609 N 1.37 0.14 -0.75 2.92 0.00 -0.87 -0.57 119.26 121.51 1pfq h ALA 609 Ca 0.31 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1pfq h ALA 609 Cb 0.25 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1pfq h ALA 609 CO -0.21 -0.48 0.50 0.00 0.00 0.00 0.00 179.25 179.05 1pfq h ALA 610 N 1.21 1.52 -0.47 0.00 0.00 -0.56 0.34 119.26 121.31 1pfq h ALA 610 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1pfq h ALA 610 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1pfq h ALA 610 CO -0.24 0.42 0.21 0.00 0.00 0.00 0.00 179.25 179.63 1pfq h ARG 611 N 0.95 0.69 0.00 0.00 3.08 0.06 0.40 114.38 119.56 1pfq h ARG 611 Ca 0.29 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 1pfq h ARG 611 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1pfq h ARG 611 CO -0.08 0.61 -0.61 0.37 -1.07 0.00 0.00 179.97 179.19 1pfq h GLN 612 N 0.62 0.00 -0.24 0.04 4.15 -0.37 -1.34 115.11 117.97 1pfq h GLN 612 Ca 0.16 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 1pfq h GLN 612 Cb 0.16 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1pfq h GLN 612 CO -0.02 0.61 -0.26 0.74 -1.93 0.00 0.00 178.83 177.98 1pfq h PHE 613 N 0.00 0.50 -0.57 3.99 0.05 -0.71 -3.30 116.94 116.90 1pfq h PHE 613 Ca -0.01 -0.11 0.07 0.00 3.82 0.00 0.00 57.97 61.75 1pfq h PHE 613 Cb 1.21 -0.12 -0.06 0.00 2.00 0.00 0.00 35.95 38.98 1pfq h PHE 613 CO 0.00 0.67 0.26 0.77 -0.18 0.00 0.00 178.31 179.83 1pfq h SER 614 N 0.40 0.34 0.00 2.17 0.02 0.98 -2.32 113.55 115.13 1pfq h SER 614 Ca 0.06 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1pfq h SER 614 Cb 0.66 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1pfq h SER 614 CO 0.05 0.22 0.00 2.29 -1.14 0.00 0.00 176.83 178.25 1pfq n LYS 615 N -4.92 0.99 -2.49 3.45 2.85 -1.13 -4.71 118.16 112.20 1pfq n LYS 615 Ca 0.07 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.95 1pfq n LYS 615 Cb 0.20 -1.16 -0.04 0.00 -0.65 0.00 0.00 35.03 33.38 1pfq n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1pfq s MET 616 N -2.00 4.26 0.16 -1.58 -1.94 -0.88 -4.94 119.30 112.38 1pfq s MET 616 Ca 0.15 1.62 0.23 0.00 -1.71 0.00 0.00 55.69 55.98 1pfq s MET 616 Cb 0.07 -2.71 0.89 0.00 2.01 0.00 0.00 34.83 35.09 1pfq s MET 616 CO 0.12 -0.09 1.69 0.41 -0.01 0.00 0.00 175.02 177.14 1pfq n GLY 617 N 0.59 -1.33 1.28 -0.03 0.00 -1.26 -2.66 105.19 101.79 1pfq n GLY 617 Ca 0.03 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1pfq n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pfq n PHE 618 N -1.99 0.94 -4.95 1.61 1.16 -1.18 -4.17 117.46 108.88 1pfq n PHE 618 Ca 0.04 -0.51 -0.28 0.00 -1.87 0.00 0.00 57.45 54.83 1pfq n PHE 618 Cb 0.27 -0.01 -0.16 0.00 -1.61 0.00 0.00 39.48 37.96 1pfq n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1pfq s VAL 619 N -1.04 1.60 -0.40 1.97 1.01 -1.09 0.29 120.40 122.75 1pfq s VAL 619 Ca 0.46 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 1pfq s VAL 619 Cb 0.24 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1pfq s VAL 619 CO 0.31 0.46 0.50 -0.62 0.00 0.00 0.00 175.10 175.74 1pfq s ASP 620 N 0.09 6.25 0.44 3.32 -1.08 0.27 -4.66 116.67 121.29 1pfq s ASP 620 Ca -0.06 -0.43 0.28 0.00 -0.52 0.00 0.00 52.55 51.82 1pfq s ASP 620 Cb -0.13 -2.25 0.89 0.00 -1.46 0.00 0.00 42.92 39.96 1pfq s ASP 620 CO 0.03 -0.59 1.79 -0.55 0.52 0.00 0.00 175.17 176.38 1pfq h ASN 621 N 8.69 0.00 0.87 -0.34 7.08 -1.87 -1.52 115.58 128.48 1pfq h ASN 621 Ca -0.27 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.95 1pfq h ASN 621 Cb 1.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.35 1pfq h ASN 621 CO 0.81 0.00 0.00 0.29 -2.08 0.00 0.00 177.43 176.45 1pfq n LYS 622 N -2.90 0.18 -3.16 4.14 4.76 -1.26 -4.00 118.16 115.91 1pfq n LYS 622 Ca 0.03 0.34 -0.23 0.00 -2.87 0.00 0.00 58.31 55.58 1pfq n LYS 622 Cb 0.39 -1.80 -0.05 0.00 -1.84 0.00 0.00 35.03 31.74 1pfq n LYS 622 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pfq n ARG 623 N -2.12 1.68 -4.31 1.97 1.74 -0.57 -4.79 116.66 110.25 1pfq n ARG 623 Ca 0.03 -3.88 -0.34 0.00 -0.77 0.00 0.00 57.85 52.89 1pfq n ARG 623 Cb 0.27 -1.80 -0.12 0.00 -1.02 0.00 0.00 32.46 29.79 1pfq n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pfq s ILE 624 N -2.63 3.87 0.37 0.55 1.01 -1.24 -1.28 121.20 121.85 1pfq s ILE 624 Ca 0.41 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.77 1pfq s ILE 624 Cb 0.26 -2.71 -0.07 0.00 0.01 0.00 0.00 42.46 39.95 1pfq s ILE 624 CO -0.09 0.48 -0.01 0.00 0.00 0.00 0.00 174.94 175.31 1pfq s ALA 625 N 0.56 2.91 -0.08 9.38 0.00 0.21 -1.37 121.76 133.38 1pfq s ALA 625 Ca -0.03 -2.18 -0.09 0.00 0.00 0.00 0.00 51.96 49.66 1pfq s ALA 625 Cb -0.14 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1pfq s ALA 625 CO 0.03 -0.10 0.24 -1.50 0.00 0.00 0.00 175.76 174.43 1pfq s ILE 626 N -2.81 0.01 0.07 0.00 2.07 -0.99 0.67 121.20 120.24 1pfq s ILE 626 Ca 0.34 -0.11 -0.13 0.00 -1.41 0.00 0.00 60.65 59.34 1pfq s ILE 626 Cb 0.07 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.31 1pfq s ILE 626 CO 0.17 -0.06 0.29 -1.66 -1.91 0.00 0.00 174.94 171.77 1pfq s TRP 627 N -0.14 -0.06 -0.00 3.50 1.48 -0.19 -1.46 118.94 122.07 1pfq s TRP 627 Ca -0.03 -0.19 -0.30 0.00 -1.06 0.00 0.00 56.10 54.52 1pfq s TRP 627 Cb -0.03 0.09 0.11 0.00 -1.16 0.00 0.00 33.47 32.49 1pfq s TRP 627 CO 0.01 -0.55 1.24 0.20 -4.06 0.00 0.00 176.95 173.78 1pfq s GLY 628 N -2.42 -0.38 -0.05 3.67 0.00 -0.97 -0.78 107.32 106.39 1pfq s GLY 628 Ca -0.01 0.67 0.04 0.00 0.00 0.00 0.00 44.72 45.41 1pfq s GLY 628 CO -0.07 0.13 -0.15 0.86 0.00 0.00 0.00 173.10 173.86 1pfq s TRP 629 N -2.55 1.59 0.00 1.90 -0.00 -1.26 -1.60 118.94 117.03 1pfq s TRP 629 Ca 0.14 -0.48 0.00 0.00 -0.00 0.00 0.00 56.10 55.75 1pfq s TRP 629 Cb 0.04 -1.09 0.00 0.00 -0.00 0.00 0.00 33.47 32.41 1pfq s TRP 629 CO -0.03 -0.19 0.00 0.45 -0.00 0.00 0.00 176.95 177.18 1pfq n SER 630 N 3.31 0.00 0.14 5.86 2.88 0.00 -1.06 113.62 124.75 1pfq n SER 630 Ca -0.19 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.43 1pfq n SER 630 Cb 0.53 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.55 1pfq n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1pfq h TYR 631 N 0.00 0.19 -0.16 0.66 3.20 -1.88 -1.43 116.97 117.56 1pfq h TYR 631 Ca 0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 1pfq h TYR 631 Cb 0.00 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1pfq h TYR 631 CO 0.00 0.12 -0.34 0.78 -1.64 0.00 0.00 178.16 177.08 1pfq h GLY 632 N 0.20 0.34 1.30 1.82 0.00 -1.14 -2.22 103.07 103.37 1pfq h GLY 632 Ca 0.08 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1pfq h GLY 632 CO -0.02 0.27 -0.21 -1.33 0.00 0.00 0.00 176.54 175.26 1pfq h GLY 633 N 1.10 0.88 0.93 4.60 0.00 -1.10 -0.84 103.07 108.64 1pfq h GLY 633 Ca 0.03 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1pfq h GLY 633 CO 0.06 0.68 -0.00 -1.82 0.00 0.00 0.00 176.54 175.45 1pfq h TYR 634 N 0.71 -0.01 0.07 5.60 3.20 -1.24 -0.91 116.97 124.39 1pfq h TYR 634 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1pfq h TYR 634 Cb 0.73 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1pfq h TYR 634 CO 0.04 0.07 -0.07 0.28 -1.64 0.00 0.00 178.16 176.84 1pfq h VAL 635 N -0.08 0.83 -0.76 1.81 2.07 -1.34 0.67 116.25 119.45 1pfq h VAL 635 Ca -0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 1pfq h VAL 635 Cb 0.08 0.83 -0.13 0.00 -1.52 0.00 0.00 31.29 30.55 1pfq h VAL 635 CO 0.00 0.00 0.04 0.74 0.02 0.00 0.00 177.57 178.37 1pfq h THR 636 N -0.16 0.36 -0.25 2.57 2.02 -1.10 0.23 112.91 116.57 1pfq h THR 636 Ca 0.00 -0.04 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 1pfq h THR 636 Cb 0.16 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1pfq h THR 636 CO -0.02 0.02 -0.37 0.28 0.37 0.00 0.00 175.52 175.80 1pfq h SER 637 N 0.13 0.77 0.44 4.18 0.02 -0.51 -0.70 113.55 117.87 1pfq h SER 637 Ca 0.42 -0.51 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 1pfq h SER 637 Cb 0.75 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1pfq h SER 637 CO -0.64 1.13 -0.36 0.24 -1.14 0.00 0.00 176.83 176.06 1pfq h MET 638 N 0.43 0.00 -0.06 3.45 2.86 -0.29 -1.48 114.93 119.83 1pfq h MET 638 Ca 0.03 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1pfq h MET 638 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1pfq h MET 638 CO 0.09 0.36 -0.22 0.28 1.06 0.00 0.00 176.91 178.47 1pfq h VAL 639 N 0.00 1.44 -0.01 -2.22 2.07 -0.36 -3.26 116.25 113.90 1pfq h VAL 639 Ca -0.00 -1.63 -0.09 0.00 0.82 0.00 0.00 66.70 65.80 1pfq h VAL 639 Cb 0.67 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1pfq h VAL 639 CO 0.05 0.46 -0.43 -0.07 0.02 0.00 0.00 177.57 177.60 1pfq h LEU 640 N -0.25 0.03 -2.46 2.57 3.38 -0.96 -2.38 115.31 115.25 1pfq h LEU 640 Ca -0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1pfq h LEU 640 Cb 0.86 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1pfq h LEU 640 CO 0.05 0.46 0.09 0.61 0.09 0.00 0.00 178.44 179.73 1pfq n GLY 641 N -0.29 2.50 0.11 0.83 0.00 -0.57 -4.35 105.19 103.42 1pfq n GLY 641 Ca -0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1pfq n GLY 641 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pfq n SER 642 N 0.15 0.98 0.00 1.61 2.88 -0.89 -4.71 113.62 113.63 1pfq n SER 642 Ca 0.18 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1pfq n SER 642 Cb 0.82 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1pfq n SER 642 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pfq n GLY 643 N 1.83 0.72 0.18 0.46 0.00 -1.26 -4.98 105.19 102.14 1pfq n GLY 643 Ca -0.30 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 1pfq n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pfq h SER 644 N 0.00 0.13 0.00 1.61 4.64 -1.90 -3.47 113.55 114.57 1pfq h SER 644 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1pfq h SER 644 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1pfq h SER 644 CO 0.00 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1pfq n GLY 645 N -0.17 1.02 0.15 -0.77 0.00 -1.26 -4.90 105.19 99.25 1pfq n GLY 645 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1pfq n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pfq h VAL 646 N 0.00 1.04 -3.54 1.61 2.07 -1.94 -3.46 116.25 112.04 1pfq h VAL 646 Ca 0.00 -2.56 -0.64 0.00 0.82 0.00 0.00 66.70 64.32 1pfq h VAL 646 Cb 0.00 2.85 -0.21 0.00 -1.52 0.00 0.00 31.29 32.42 1pfq h VAL 646 CO 0.00 0.84 -0.61 -0.36 0.02 0.00 0.00 177.57 177.46 1pfq s PHE 647 N -2.58 3.12 0.11 1.57 0.08 -1.26 -4.53 117.98 114.48 1pfq s PHE 647 Ca -0.14 -0.27 -0.14 0.00 0.12 0.00 0.00 56.93 56.50 1pfq s PHE 647 Cb 0.05 -2.18 -0.09 0.00 -0.57 0.00 0.00 43.02 40.23 1pfq s PHE 647 CO 0.88 -0.20 1.41 -0.22 -0.10 0.00 0.00 175.22 176.99 1pfq h LYS 648 N 7.72 0.76 -3.61 0.44 3.64 -1.53 -3.45 116.57 120.54 1pfq h LYS 648 Ca -0.37 -0.44 -0.07 0.00 -1.27 0.00 0.00 60.65 58.50 1pfq h LYS 648 Cb 1.18 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.95 1pfq h LYS 648 CO 0.61 1.06 -0.07 0.00 -2.27 0.00 0.00 179.45 178.78 1pfq s GLY 650 N -3.04 -0.17 -0.13 0.00 0.00 -0.39 -2.33 107.32 101.25 1pfq s GLY 650 Ca 0.22 2.51 0.01 0.00 0.00 0.00 0.00 44.72 47.46 1pfq s GLY 650 CO 0.10 1.58 -0.16 -0.42 0.00 0.00 0.00 173.10 174.21 1pfq s ILE 651 N -0.21 1.63 -0.26 0.90 1.01 -0.53 -1.12 121.20 122.62 1pfq s ILE 651 Ca 0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1pfq s ILE 651 Cb -0.04 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1pfq s ILE 651 CO -0.04 0.47 0.01 0.00 0.00 0.00 0.00 174.94 175.38 1pfq s ALA 652 N 1.18 2.93 -0.28 9.38 0.00 -0.36 -2.28 121.76 132.34 1pfq s ALA 652 Ca -0.01 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 1pfq s ALA 652 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 1pfq s ALA 652 CO -0.06 -0.67 0.13 0.08 0.00 0.00 0.00 175.76 175.23 1pfq s VAL 653 N 1.48 4.64 -1.26 0.00 1.01 -0.63 -1.17 120.40 124.48 1pfq s VAL 653 Ca 0.04 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 1pfq s VAL 653 Cb -0.16 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1pfq s VAL 653 CO -0.00 0.23 0.61 0.00 0.00 0.00 0.00 175.10 175.94 1pfq n ALA 654 N 4.98 -2.36 -1.77 5.51 0.00 0.15 -0.82 120.51 126.19 1pfq n ALA 654 Ca -0.15 -0.32 -0.37 0.00 0.00 0.00 0.00 53.44 52.60 1pfq n ALA 654 Cb 0.51 -2.84 -0.01 0.00 0.00 0.00 0.00 19.45 17.10 1pfq n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pfq s PRO 655 N -6.51 3.76 0.36 0.00 0.04 -1.26 -3.05 135.00 128.34 1pfq s PRO 655 Ca 0.30 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 1pfq s PRO 655 Cb -0.13 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 1pfq s PRO 655 CO 0.90 -0.54 1.18 0.08 0.04 0.00 0.00 177.00 178.66 1pfq s VAL 656 N -1.60 3.15 0.00 -0.36 1.01 -1.23 -4.51 120.40 116.87 1pfq s VAL 656 Ca 0.64 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1pfq s VAL 656 Cb -0.27 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1pfq s VAL 656 CO 0.33 0.16 0.00 -1.54 0.00 0.00 0.00 175.10 174.04 1pfq n SER 657 N 0.44 4.83 -3.65 3.32 3.41 -1.26 -4.11 113.62 116.59 1pfq n SER 657 Ca 0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.58 1pfq n SER 657 Cb 0.45 0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 65.14 1pfq n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1pfq s ARG 658 N -1.94 0.60 0.45 4.33 3.52 -1.26 -0.71 118.95 123.93 1pfq s ARG 658 Ca 0.00 1.25 0.24 0.00 -0.13 0.00 0.00 55.73 57.09 1pfq s ARG 658 Cb 0.00 0.41 0.99 0.00 -1.56 0.00 0.00 34.95 34.79 1pfq s ARG 658 CO 0.00 -0.18 1.86 -1.49 -0.81 0.00 0.00 175.30 174.68 1pfq h TRP 659 N 7.48 0.00 0.00 5.12 4.06 -1.87 -0.17 115.95 130.57 1pfq h TRP 659 Ca -0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.70 1pfq h TRP 659 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1pfq h TRP 659 CO 0.13 0.23 0.03 0.93 -3.56 0.00 0.00 178.44 176.19 1pfq h GLU 660 N 0.00 0.00 0.00 0.49 3.07 -1.90 -1.90 114.58 114.34 1pfq h GLU 660 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pfq h GLU 660 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1pfq h GLU 660 CO 0.03 0.00 -0.62 1.88 -1.40 0.00 0.00 179.01 178.90 1pfq h TYR 661 N 0.00 0.00 -1.99 4.33 0.99 -1.39 -3.22 116.97 115.69 1pfq h TYR 661 Ca 0.00 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.29 1pfq h TYR 661 Cb 0.06 0.00 0.04 0.00 1.00 0.00 0.00 36.73 37.83 1pfq h TYR 661 CO 0.00 0.00 -0.09 -0.47 -0.00 0.00 0.00 178.16 177.60 1pfq s TYR 662 N -3.27 2.58 0.59 4.88 6.04 -0.72 -4.77 117.35 122.68 1pfq s TYR 662 Ca 0.03 -0.22 -0.16 0.00 0.04 0.00 0.00 57.07 56.76 1pfq s TYR 662 Cb 0.09 -2.62 -0.04 0.00 -1.04 0.00 0.00 41.96 38.36 1pfq s TYR 662 CO 0.74 -0.85 1.06 0.16 -1.54 0.00 0.00 175.55 175.11 1pfq s ASP 663 N -4.46 5.80 0.16 4.32 3.84 -1.26 0.22 116.67 125.29 1pfq s ASP 663 Ca 0.58 1.82 -0.15 0.00 -0.00 0.00 0.00 52.55 54.80 1pfq s ASP 663 Cb -0.09 -2.53 0.06 0.00 -1.38 0.00 0.00 42.92 38.98 1pfq s ASP 663 CO 0.37 -1.16 1.78 0.77 -0.00 0.00 0.00 175.17 176.94 1pfq h SER 664 N 0.47 0.29 0.47 2.11 4.64 -1.10 -2.10 113.55 118.32 1pfq h SER 664 Ca -0.47 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1pfq h SER 664 Cb 1.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1pfq h SER 664 CO 0.57 0.21 -0.22 0.58 -0.87 0.00 0.00 176.83 177.10 1pfq h VAL 665 N 0.41 0.43 0.38 0.95 2.07 -1.93 -1.26 116.25 117.30 1pfq h VAL 665 Ca 0.17 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1pfq h VAL 665 Cb 0.08 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1pfq h VAL 665 CO -0.12 0.06 -0.24 0.22 0.02 0.00 0.00 177.57 177.52 1pfq h TYR 666 N -0.93 -0.62 -0.08 1.57 3.20 -1.94 -3.02 116.97 115.15 1pfq h TYR 666 Ca -0.06 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1pfq h TYR 666 Cb 0.58 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 1pfq h TYR 666 CO 0.01 -0.37 0.03 1.15 -1.64 0.00 0.00 178.16 177.34 1pfq h THR 667 N -0.59 1.16 0.00 1.81 2.02 -1.39 -2.88 112.91 113.03 1pfq h THR 667 Ca -0.04 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1pfq h THR 667 Cb 0.49 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1pfq h THR 667 CO 0.04 0.13 -0.09 -0.33 0.37 0.00 0.00 175.52 175.65 1pfq h GLU 668 N -0.05 0.00 -0.81 6.66 5.08 -1.32 -0.12 114.58 124.02 1pfq h GLU 668 Ca 0.03 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1pfq h GLU 668 Cb 0.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1pfq h GLU 668 CO -0.00 0.09 0.46 -0.09 -1.00 0.00 0.00 179.01 178.47 1pfq h ARG 669 N 0.00 0.75 0.00 2.33 2.43 -1.37 -1.83 114.38 116.69 1pfq h ARG 669 Ca -0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1pfq h ARG 669 Cb 0.64 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1pfq h ARG 669 CO 0.01 0.49 -1.82 0.66 -1.51 0.00 0.00 179.97 177.81 1pfq n TYR 670 N -4.76 0.00 0.02 2.20 4.02 -0.92 -4.64 117.16 113.08 1pfq n TYR 670 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1pfq n TYR 670 Cb 0.28 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 1pfq n TYR 670 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1pfq n MET 671 N -2.19 1.25 0.00 -0.72 2.81 -0.10 0.12 117.12 118.29 1pfq n MET 671 Ca -0.08 -0.38 0.00 0.00 -1.81 0.00 0.00 57.70 55.43 1pfq n MET 671 Cb 0.56 -0.87 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 1pfq n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pfq n GLY 672 N 0.30 1.60 3.68 3.03 0.00 -0.69 -4.68 105.19 108.44 1pfq n GLY 672 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1pfq n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfq s LEU 673 N 0.00 3.52 -1.49 0.99 1.43 -1.26 -4.26 118.68 117.61 1pfq s LEU 673 Ca 0.00 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1pfq s LEU 673 Cb 0.00 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1pfq s LEU 673 CO 0.00 0.29 2.58 -0.81 0.23 0.00 0.00 176.35 178.63 1pfq n PRO 674 N 1.45 3.18 -4.19 1.29 -0.04 -1.26 -1.81 135.00 133.62 1pfq n PRO 674 Ca -0.15 -2.32 -0.14 0.00 -0.04 0.00 0.00 63.50 60.86 1pfq n PRO 674 Cb 0.53 -2.99 -0.10 0.00 -0.04 0.00 0.00 33.50 30.89 1pfq n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1pfq s THR 675 N 2.77 0.95 0.33 0.52 -4.23 -1.26 -4.71 115.64 110.02 1pfq s THR 675 Ca 0.58 -1.80 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 1pfq s THR 675 Cb 0.16 -1.54 0.30 0.00 1.34 0.00 0.00 72.50 72.76 1pfq s THR 675 CO -0.06 -0.67 1.89 -0.65 -0.54 0.00 0.00 174.62 174.59 1pfq h PRO 676 N 3.25 0.80 0.00 3.99 0.11 -1.96 -1.20 132.00 136.98 1pfq h PRO 676 Ca -0.37 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1pfq h PRO 676 Cb 1.18 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1pfq h PRO 676 CO 0.58 0.53 -0.10 0.93 -0.21 0.00 0.00 178.00 179.72 1pfq h GLU 677 N 0.82 0.00 0.00 1.05 5.08 -1.96 -3.43 114.58 116.14 1pfq h GLU 677 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1pfq h GLU 677 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1pfq h GLU 677 CO -0.18 0.10 0.00 -3.47 -1.00 0.00 0.00 179.01 174.46 1pfq n ASP 678 N -3.17 0.00 -0.38 1.42 4.64 -0.54 -5.04 116.55 113.49 1pfq n ASP 678 Ca 0.02 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.48 1pfq n ASP 678 Cb 0.45 0.00 0.07 0.00 -1.04 0.00 0.00 41.12 40.60 1pfq n ASP 678 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1pfq n ASN 679 N 0.00 1.18 -0.22 1.67 5.15 -0.75 -4.80 115.26 117.49 1pfq n ASN 679 Ca 0.00 -2.58 0.06 0.00 -0.60 0.00 0.00 54.58 51.46 1pfq n ASN 679 Cb 0.00 -0.32 0.32 0.00 -0.53 0.00 0.00 39.78 39.24 1pfq n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1pfq h LEU 680 N 0.11 0.74 -0.69 1.20 5.85 -1.38 -1.87 115.31 119.27 1pfq h LEU 680 Ca -0.01 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1pfq h LEU 680 Cb 1.23 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 42.00 1pfq h LEU 680 CO 0.01 0.47 0.11 0.44 -0.34 0.00 0.00 178.44 179.13 1pfq h ASP 681 N 0.84 -0.09 1.22 1.25 3.32 -1.87 -1.60 116.42 119.49 1pfq h ASP 681 Ca 0.34 0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.41 1pfq h ASP 681 Cb 0.26 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1pfq h ASP 681 CO -0.12 -0.06 -0.81 -0.74 -1.72 0.00 0.00 179.24 175.79 1pfq h HIS 682 N 0.21 0.00 -0.83 4.55 2.76 -1.72 -2.51 115.15 117.61 1pfq h HIS 682 Ca 0.38 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.67 1pfq h HIS 682 Cb 0.64 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.51 1pfq h HIS 682 CO -0.30 0.57 0.45 1.88 -1.30 0.00 0.00 177.93 179.22 1pfq h TYR 683 N 0.00 0.80 0.00 5.26 0.05 -0.95 -2.46 116.97 119.67 1pfq h TYR 683 Ca -0.05 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1pfq h TYR 683 Cb 1.48 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 1pfq h TYR 683 CO 0.00 0.26 -0.21 0.00 -1.05 0.00 0.00 178.16 177.16 1pfq h ARG 684 N 0.70 0.00 -0.01 4.88 2.47 -1.12 -3.21 114.38 118.08 1pfq h ARG 684 Ca 0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 1pfq h ARG 684 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1pfq h ARG 684 CO -0.30 0.21 -0.22 -1.71 0.56 0.00 0.00 179.97 178.51 1pfq n ASN 685 N -3.15 0.94 -0.61 7.04 5.15 -0.96 -4.25 115.26 119.42 1pfq n ASN 685 Ca 0.03 -0.85 0.06 0.00 -0.60 0.00 0.00 54.58 53.22 1pfq n ASN 685 Cb 0.62 0.09 0.17 0.00 -0.53 0.00 0.00 39.78 40.13 1pfq n ASN 685 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1pfq n SER 686 N -0.68 1.70 -4.85 1.20 3.41 -1.03 -5.03 113.62 108.33 1pfq n SER 686 Ca 0.13 -3.52 -0.33 0.00 -0.26 0.00 0.00 58.87 54.89 1pfq n SER 686 Cb 0.34 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 1pfq n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1pfq s THR 687 N -2.75 4.78 0.27 6.66 -4.23 -1.26 -4.79 115.64 114.33 1pfq s THR 687 Ca 0.36 0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 61.63 1pfq s THR 687 Cb 0.35 -3.65 0.19 0.00 1.34 0.00 0.00 72.50 70.73 1pfq s THR 687 CO -0.06 -0.05 1.86 0.58 -0.54 0.00 0.00 174.62 176.40 1pfq h VAL 688 N 2.15 1.23 -0.28 2.29 2.07 -1.26 -3.14 116.25 119.30 1pfq h VAL 688 Ca -0.48 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1pfq h VAL 688 Cb 1.18 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1pfq h VAL 688 CO 0.67 0.28 0.14 0.24 0.02 0.00 0.00 177.57 178.91 1pfq h MET 689 N 0.97 0.38 0.00 1.57 2.86 -1.93 -0.90 114.93 117.88 1pfq h MET 689 Ca 0.23 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1pfq h MET 689 Cb 0.15 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1pfq h MET 689 CO -0.02 0.29 -0.10 0.66 1.06 0.00 0.00 176.91 178.80 1pfq h SER 690 N 0.38 0.00 -0.59 1.22 4.64 -1.92 -2.45 113.55 114.83 1pfq h SER 690 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1pfq h SER 690 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1pfq h SER 690 CO -0.01 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 176.59 1pfq n ARG 691 N -3.71 4.18 -0.16 4.77 1.74 -0.34 -4.66 116.66 118.49 1pfq n ARG 691 Ca -0.02 -2.88 -0.03 0.00 -0.77 0.00 0.00 57.85 54.15 1pfq n ARG 691 Cb 0.21 -2.06 0.06 0.00 -1.02 0.00 0.00 32.46 29.66 1pfq n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pfq h ALA 692 N 4.01 0.57 0.00 7.54 0.00 -1.50 -2.22 119.26 127.67 1pfq h ALA 692 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1pfq h ALA 692 Cb 1.66 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1pfq h ALA 692 CO 0.35 -0.27 -0.10 0.93 0.00 0.00 0.00 179.25 180.16 1pfq h GLU 693 N 0.29 0.00 0.00 0.00 5.08 -1.86 -1.83 114.58 116.27 1pfq h GLU 693 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1pfq h GLU 693 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1pfq h GLU 693 CO -0.28 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 177.92 1pfq n ASN 694 N -3.81 0.00 0.04 1.42 3.02 -0.83 -2.88 115.26 112.22 1pfq n ASN 694 Ca -0.02 0.43 0.11 0.00 -0.03 0.00 0.00 54.58 55.06 1pfq n ASN 694 Cb 0.20 -0.47 0.44 0.00 -0.61 0.00 0.00 39.78 39.34 1pfq n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1pfq n PHE 695 N -1.47 0.31 -0.36 3.10 3.01 -0.69 -3.29 117.46 118.06 1pfq n PHE 695 Ca 0.06 0.11 0.31 0.00 1.01 0.00 0.00 57.45 58.95 1pfq n PHE 695 Cb 0.27 -0.67 0.64 0.00 -0.01 0.00 0.00 39.48 39.71 1pfq n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1pfq h LYS 696 N 0.00 0.16 0.00 -1.08 1.57 -1.73 -1.82 116.57 113.68 1pfq h LYS 696 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1pfq h LYS 696 Cb 0.40 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1pfq h LYS 696 CO 0.00 0.11 -0.69 1.04 -0.57 0.00 0.00 179.45 179.33 1pfq n GLN 697 N -4.42 0.20 -4.51 3.15 1.13 -1.21 -4.92 117.38 106.80 1pfq n GLN 697 Ca 0.28 0.04 -0.25 0.00 -1.94 0.00 0.00 57.00 55.13 1pfq n GLN 697 Cb 1.17 -1.60 -0.10 0.00 0.11 0.00 0.00 30.24 29.81 1pfq n GLN 697 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1pfq s VAL 698 N -3.12 2.17 -0.27 5.09 -7.23 -0.69 -4.97 120.40 111.38 1pfq s VAL 698 Ca 0.07 -2.23 -0.14 0.00 -1.81 0.00 0.00 61.98 57.87 1pfq s VAL 698 Cb 0.15 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1pfq s VAL 698 CO 0.74 -0.26 0.34 -1.61 -0.31 0.00 0.00 175.10 173.99 1pfq s GLU 699 N -3.61 4.02 -0.13 4.82 8.01 -0.68 -4.99 118.70 126.13 1pfq s GLU 699 Ca 0.31 -0.01 0.03 0.00 0.01 0.00 0.00 54.97 55.31 1pfq s GLU 699 Cb 0.01 -3.65 0.01 0.00 -4.31 0.00 0.00 34.13 26.19 1pfq s GLU 699 CO 0.15 -0.24 -0.22 -0.47 0.01 0.00 0.00 175.26 174.49 1pfq s TYR 700 N 1.96 2.60 -0.21 1.61 6.04 -1.26 -1.26 117.35 126.82 1pfq s TYR 700 Ca 0.14 -1.23 -0.03 0.00 0.04 0.00 0.00 57.07 55.98 1pfq s TYR 700 Cb -0.16 -1.76 -0.01 0.00 -1.04 0.00 0.00 41.96 39.00 1pfq s TYR 700 CO 0.10 -0.54 -0.06 -1.17 -1.54 0.00 0.00 175.55 172.33 1pfq s LEU 701 N 0.67 2.84 -0.22 6.97 2.96 -0.28 -0.29 118.68 131.32 1pfq s LEU 701 Ca -0.11 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1pfq s LEU 701 Cb -0.16 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 1pfq s LEU 701 CO 0.02 -0.00 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.80 1pfq s LEU 702 N 1.37 3.02 -0.03 -0.68 2.96 -0.30 -1.22 118.68 123.79 1pfq s LEU 702 Ca 0.04 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1pfq s LEU 702 Cb -0.14 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 1pfq s LEU 702 CO -0.03 -0.00 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.19 1pfq s ILE 703 N 1.38 1.43 -0.27 6.68 1.01 -0.32 -1.04 121.20 130.08 1pfq s ILE 703 Ca 0.05 -0.74 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 1pfq s ILE 703 Cb -0.14 -1.22 0.07 0.00 0.01 0.00 0.00 42.46 41.18 1pfq s ILE 703 CO -0.01 0.41 0.68 -2.28 0.00 0.00 0.00 174.94 173.74 1pfq s HIS 704 N -0.12 -0.93 0.17 3.97 2.46 -0.87 0.33 115.29 120.30 1pfq s HIS 704 Ca -0.00 2.00 -0.30 0.00 0.47 0.00 0.00 55.06 57.23 1pfq s HIS 704 Cb -0.10 0.48 -0.07 0.00 -0.13 0.00 0.00 32.58 32.75 1pfq s HIS 704 CO 0.01 -0.46 1.02 0.20 -2.47 0.00 0.00 174.74 173.04 1pfq s GLY 705 N 1.14 2.97 0.36 1.59 0.00 -1.26 -1.99 107.32 110.13 1pfq s GLY 705 Ca -0.06 0.69 0.27 0.00 0.00 0.00 0.00 44.72 45.62 1pfq s GLY 705 CO -0.12 1.48 1.77 -0.91 0.00 0.00 0.00 173.10 175.33 1pfq h THR 706 N 3.70 0.00 -0.58 0.90 1.35 -1.31 -2.79 112.91 114.18 1pfq h THR 706 Ca -0.44 -0.56 -0.26 0.00 -0.55 0.00 0.00 66.41 64.60 1pfq h THR 706 Cb 1.21 1.49 -0.16 0.00 -1.73 0.00 0.00 68.15 68.97 1pfq h THR 706 CO 0.71 0.00 0.19 0.00 -0.25 0.00 0.00 175.52 176.17 1pfq n ALA 707 N -1.94 4.58 -2.07 6.62 0.00 -0.68 -4.74 120.51 122.28 1pfq n ALA 707 Ca 0.03 -2.88 -0.43 0.00 0.00 0.00 0.00 53.44 50.16 1pfq n ALA 707 Cb 0.38 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1pfq n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pfq s ASP 708 N -1.93 6.13 0.14 0.00 -1.08 -1.05 -4.25 116.67 114.63 1pfq s ASP 708 Ca 0.49 1.40 0.24 0.00 -0.52 0.00 0.00 52.55 54.16 1pfq s ASP 708 Cb 0.43 -2.53 0.30 0.00 -1.46 0.00 0.00 42.92 39.66 1pfq s ASP 708 CO 0.06 -1.50 1.29 -2.24 0.52 0.00 0.00 175.17 173.30 1pfq h ASP 709 N 11.80 0.00 0.00 -0.34 3.04 -1.92 -3.37 116.42 125.64 1pfq h ASP 709 Ca -0.33 -0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 1pfq h ASP 709 Cb 1.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 1pfq h ASP 709 CO 1.02 0.09 -0.06 -3.20 -2.04 0.00 0.00 179.24 175.06 1pfq n ASN 710 N -2.20 0.14 -4.38 4.15 2.85 -1.26 -4.73 115.26 109.83 1pfq n ASN 710 Ca 0.03 0.14 -0.45 0.00 -0.11 0.00 0.00 54.58 54.19 1pfq n ASN 710 Cb 0.45 -0.52 -0.07 0.00 1.24 0.00 0.00 39.78 40.88 1pfq n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1pfq s VAL 711 N -1.12 5.16 0.42 3.44 1.01 -1.26 -4.84 120.40 123.21 1pfq s VAL 711 Ca -0.02 -1.08 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 1pfq s VAL 711 Cb 0.00 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 1pfq s VAL 711 CO 0.03 -0.70 1.20 -1.00 0.00 0.00 0.00 175.10 174.62 1pfq s HIS 712 N 1.82 2.96 0.44 5.22 3.76 -1.26 -4.72 115.29 123.51 1pfq s HIS 712 Ca 0.06 1.52 0.25 0.00 -0.15 0.00 0.00 55.06 56.73 1pfq s HIS 712 Cb -0.25 -3.45 1.27 0.00 1.11 0.00 0.00 32.58 31.26 1pfq s HIS 712 CO 0.06 -1.54 1.77 0.35 -0.85 0.00 0.00 174.74 174.53 1pfq h PHE 713 N 2.50 0.45 -1.29 1.40 3.57 -1.79 0.37 116.94 122.16 1pfq h PHE 713 Ca -0.49 0.02 0.46 0.00 3.53 0.00 0.00 57.97 61.49 1pfq h PHE 713 Cb 1.24 -0.13 -0.15 0.00 2.79 0.00 0.00 35.95 39.71 1pfq h PHE 713 CO 0.54 0.02 0.81 0.94 -2.23 0.00 0.00 178.31 178.38 1pfq n GLN 714 N -4.50 -0.04 -0.09 1.11 7.27 -1.26 -1.42 117.38 118.44 1pfq n GLN 714 Ca 0.27 1.27 -0.11 0.00 0.07 0.00 0.00 57.00 58.49 1pfq n GLN 714 Cb 1.04 -2.45 -0.04 0.00 2.41 0.00 0.00 30.24 31.19 1pfq n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1pfq h GLN 715 N 0.00 0.51 0.00 3.69 4.20 -0.56 -1.54 115.11 121.40 1pfq h GLN 715 Ca 0.87 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 59.27 1pfq h GLN 715 Cb 2.70 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 30.42 1pfq h GLN 715 CO -0.53 0.70 -0.61 0.77 -0.67 0.00 0.00 178.83 178.49 1pfq h SER 716 N 0.27 0.00 0.06 1.46 0.02 -1.46 -2.75 113.55 111.15 1pfq h SER 716 Ca 0.07 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1pfq h SER 716 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1pfq h SER 716 CO 0.02 0.61 -0.17 0.00 -1.14 0.00 0.00 176.83 176.16 1pfq h ALA 717 N 1.39 1.47 0.09 3.77 0.00 -0.97 -0.53 119.26 124.48 1pfq h ALA 717 Ca -0.01 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.41 1pfq h ALA 717 Cb 1.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1pfq h ALA 717 CO 0.08 0.37 -1.23 1.96 0.00 0.00 0.00 179.25 180.44 1pfq h GLN 718 N 0.20 0.19 0.05 0.00 1.08 -1.21 -2.73 115.11 112.69 1pfq h GLN 718 Ca 0.04 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1pfq h GLN 718 Cb 0.43 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1pfq h GLN 718 CO 0.03 1.13 -0.06 0.82 -0.95 0.00 0.00 178.83 179.80 1pfq h ILE 719 N 0.05 0.85 -0.80 2.54 2.04 -1.18 -2.19 117.51 118.82 1pfq h ILE 719 Ca -0.12 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1pfq h ILE 719 Cb 1.93 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1pfq h ILE 719 CO 0.18 0.00 0.35 0.77 0.00 0.00 0.00 178.15 179.45 1pfq h SER 720 N -0.13 1.07 -0.72 1.72 4.64 -1.15 -1.71 113.55 117.26 1pfq h SER 720 Ca 0.01 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.12 1pfq h SER 720 Cb 0.14 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1pfq h SER 720 CO -0.03 0.93 0.22 0.50 -0.87 0.00 0.00 176.83 177.58 1pfq h LYS 721 N 1.15 1.13 -0.13 4.77 3.64 -1.40 -0.02 116.57 125.70 1pfq h LYS 721 Ca 0.27 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1pfq h LYS 721 Cb 0.17 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1pfq h LYS 721 CO -0.03 0.97 -0.38 0.00 -2.27 0.00 0.00 179.45 177.74 1pfq h ALA 722 N 1.11 1.12 -0.23 5.00 0.00 -0.93 0.05 119.26 125.38 1pfq h ALA 722 Ca 0.23 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1pfq h ALA 722 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pfq h ALA 722 CO -0.01 0.57 -0.54 -0.07 0.00 0.00 0.00 179.25 179.21 1pfq h LEU 723 N 0.23 0.87 -0.63 0.00 3.38 -1.02 -3.04 115.31 115.10 1pfq h LEU 723 Ca 0.02 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1pfq h LEU 723 Cb 0.78 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1pfq h LEU 723 CO 0.06 1.27 0.41 0.58 0.09 0.00 0.00 178.44 180.85 1pfq h VAL 724 N 0.50 1.17 0.00 1.22 2.07 -0.75 -1.39 116.25 119.07 1pfq h VAL 724 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1pfq h VAL 724 Cb 1.16 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1pfq h VAL 724 CO 0.12 0.17 0.00 0.47 0.02 0.00 0.00 177.57 178.35 1pfq n ASP 725 N -4.63 0.29 -0.42 0.57 8.00 -0.02 -1.72 116.55 118.62 1pfq n ASP 725 Ca 0.05 0.57 0.04 0.00 0.71 0.00 0.00 54.79 56.15 1pfq n ASP 725 Cb 0.03 -0.63 0.09 0.00 -0.02 0.00 0.00 41.12 40.59 1pfq n ASP 725 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1pfq n VAL 726 N -1.81 0.83 -3.15 2.53 0.31 -1.03 -4.99 118.33 111.02 1pfq n VAL 726 Ca 0.03 -0.92 -0.19 0.00 -0.01 0.00 0.00 64.34 63.26 1pfq n VAL 726 Cb 0.21 0.61 0.05 0.00 -0.91 0.00 0.00 33.84 33.80 1pfq n VAL 726 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pfq n GLY 727 N 0.24 -0.27 3.55 2.92 0.00 -0.70 -4.97 105.19 105.97 1pfq n GLY 727 Ca 0.07 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1pfq n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pfq s VAL 728 N -3.17 4.70 0.44 1.61 1.01 -0.56 -5.05 120.40 119.38 1pfq s VAL 728 Ca 0.37 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 1pfq s VAL 728 Cb -0.16 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 1pfq s VAL 728 CO 0.46 0.37 0.95 -0.62 0.00 0.00 0.00 175.10 176.27 1pfq s ASP 729 N 1.12 6.91 0.22 3.32 2.15 -1.26 -4.45 116.67 124.68 1pfq s ASP 729 Ca 0.05 1.68 -0.22 0.00 0.43 0.00 0.00 52.55 54.49 1pfq s ASP 729 Cb -0.14 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1pfq s ASP 729 CO 0.04 -0.38 0.87 0.72 -0.17 0.00 0.00 175.17 176.25 1pfq s PHE 730 N -2.22 -0.10 0.09 -5.34 -0.71 -1.26 -4.79 117.98 103.65 1pfq s PHE 730 Ca 0.62 -0.31 0.03 0.00 -1.04 0.00 0.00 56.93 56.23 1pfq s PHE 730 Cb -0.09 0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 42.37 1pfq s PHE 730 CO 0.15 -1.06 0.11 -0.65 -1.34 0.00 0.00 175.22 172.43 1pfq s GLN 731 N -3.27 2.99 0.05 1.99 -0.21 0.60 -5.01 119.66 116.79 1pfq s GLN 731 Ca 0.13 -0.67 -0.01 0.00 0.02 0.00 0.00 55.36 54.83 1pfq s GLN 731 Cb -0.03 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 1pfq s GLN 731 CO 0.05 0.56 -0.03 0.00 -2.12 0.00 0.00 175.29 173.75 1pfq s ALA 732 N -1.46 0.53 -0.23 6.09 0.00 -1.26 -1.16 121.76 124.27 1pfq s ALA 732 Ca 0.30 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 1pfq s ALA 732 Cb -0.12 0.26 0.09 0.00 0.00 0.00 0.00 23.12 23.35 1pfq s ALA 732 CO 0.23 -0.36 0.53 1.41 0.00 0.00 0.00 175.76 177.57 1pfq s MET 733 N -3.86 0.48 0.17 0.00 0.00 -0.20 -4.90 119.30 110.98 1pfq s MET 733 Ca 0.07 1.09 -0.01 0.00 0.00 0.00 0.00 55.69 56.85 1pfq s MET 733 Cb 0.07 0.29 -0.04 0.00 0.00 0.00 0.00 34.83 35.16 1pfq s MET 733 CO -0.10 -0.19 0.35 1.67 0.00 0.00 0.00 175.02 176.75 1pfq s TRP 734 N 2.10 3.49 -0.28 4.11 -2.14 -1.26 -2.05 118.94 122.90 1pfq s TRP 734 Ca -0.07 0.32 0.02 0.00 2.66 0.00 0.00 56.10 59.03 1pfq s TRP 734 Cb -0.09 -1.83 0.08 0.00 -3.10 0.00 0.00 33.47 28.53 1pfq s TRP 734 CO -0.16 0.44 -0.02 0.71 -2.66 0.00 0.00 176.95 175.26 1pfq s TYR 735 N -1.77 2.98 0.22 1.66 2.02 -0.84 -4.94 117.35 116.68 1pfq s TYR 735 Ca 0.38 -2.30 -0.30 0.00 -0.37 0.00 0.00 57.07 54.48 1pfq s TYR 735 Cb -0.11 -2.11 -0.09 0.00 -0.40 0.00 0.00 41.96 39.25 1pfq s TYR 735 CO 0.28 -0.87 1.32 0.95 -1.57 0.00 0.00 175.55 175.67 1pfq s THR 736 N 1.19 3.09 0.00 -0.71 -4.23 -1.26 -1.68 115.64 112.04 1pfq s THR 736 Ca 0.00 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 1pfq s THR 736 Cb -0.19 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.06 1pfq s THR 736 CO -0.08 0.15 0.00 0.47 -0.54 0.00 0.00 174.62 174.61 1pfq n ASP 737 N 2.38 -2.43 -4.83 3.99 8.00 -1.26 -4.85 116.55 117.54 1pfq n ASP 737 Ca 0.05 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.19 1pfq n ASP 737 Cb 0.42 -1.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.08 1pfq n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pfq s GLU 738 N -0.62 4.07 0.00 -1.24 0.41 -1.05 -4.70 118.70 115.56 1pfq s GLU 738 Ca 0.00 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 55.16 1pfq s GLU 738 Cb 0.00 -3.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1pfq s GLU 738 CO 0.00 0.53 0.00 -0.40 -0.49 0.00 0.00 175.26 174.90 1pfq n ASP 739 N 1.10 0.00 0.18 -0.19 3.85 -1.26 -1.69 116.55 118.54 1pfq n ASP 739 Ca -0.07 0.00 0.04 0.00 -0.71 0.00 0.00 54.79 54.05 1pfq n ASP 739 Cb 0.51 0.00 0.43 0.00 -1.35 0.00 0.00 41.12 40.72 1pfq n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 1pfq h HIS 740 N 0.00 0.07 -0.00 2.11 -0.00 -1.93 -1.38 115.15 114.03 1pfq h HIS 740 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1pfq h HIS 740 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1pfq h HIS 740 CO 0.00 0.28 -0.49 0.41 -0.00 0.00 0.00 177.93 178.14 1pfq n GLY 741 N -0.83 -1.17 4.11 5.26 0.00 -1.26 -4.96 105.19 106.34 1pfq n GLY 741 Ca -0.02 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1pfq n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pfq n ILE 742 N -1.40 -2.36 0.24 -0.61 5.41 -0.52 -4.83 119.36 115.29 1pfq n ILE 742 Ca 0.06 -0.55 0.06 0.00 1.00 0.00 0.00 62.75 63.32 1pfq n ILE 742 Cb 0.34 -2.03 0.09 0.00 -0.71 0.00 0.00 39.64 37.32 1pfq n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pfq n ALA 743 N -4.56 2.38 -1.71 -1.39 0.00 -1.26 -3.28 120.51 110.68 1pfq n ALA 743 Ca -0.27 -0.78 -0.39 0.00 0.00 0.00 0.00 53.44 51.99 1pfq n ALA 743 Cb 0.67 -0.40 0.03 0.00 0.00 0.00 0.00 19.45 19.74 1pfq n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pfq n SER 744 N 0.60 2.37 -0.17 0.00 3.41 -1.26 -4.74 113.62 113.83 1pfq n SER 744 Ca 0.08 1.01 -0.08 0.00 -0.26 0.00 0.00 58.87 59.62 1pfq n SER 744 Cb 0.33 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.73 1pfq n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1pfq h SER 745 N 1.59 -1.38 0.30 4.04 0.87 -2.00 0.44 113.55 117.41 1pfq h SER 745 Ca -0.49 0.23 -0.18 0.00 -1.23 0.00 0.00 61.79 60.12 1pfq h SER 745 Cb 1.31 0.63 -0.01 0.00 -0.44 0.00 0.00 62.40 63.89 1pfq h SER 745 CO 0.57 -0.34 -0.73 0.71 -0.53 0.00 0.00 176.83 176.51 1pfq h THR 746 N -0.26 1.39 -0.14 2.23 1.35 -1.97 -2.73 112.91 112.78 1pfq h THR 746 Ca 0.17 -2.17 -0.08 0.00 -0.55 0.00 0.00 66.41 63.78 1pfq h THR 746 Cb 0.57 2.13 -0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1pfq h THR 746 CO -0.63 0.65 -0.22 0.00 -0.25 0.00 0.00 175.52 175.06 1pfq h ALA 747 N 0.97 0.22 -0.61 6.62 0.00 -1.75 -0.90 119.26 123.80 1pfq h ALA 747 Ca -0.03 -0.37 0.13 0.00 0.00 0.00 0.00 54.91 54.63 1pfq h ALA 747 Cb 1.30 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 1pfq h ALA 747 CO 0.12 0.18 -0.09 1.25 0.00 0.00 0.00 179.25 180.71 1pfq h HIS 748 N 0.02 -0.21 -0.70 0.00 2.76 -0.90 0.19 115.15 116.29 1pfq h HIS 748 Ca 0.01 0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1pfq h HIS 748 Cb 0.79 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 1pfq h HIS 748 CO 0.10 -0.23 0.27 1.96 -1.30 0.00 0.00 177.93 178.72 1pfq h GLN 749 N 0.04 1.06 -0.21 5.26 4.20 -1.33 -2.93 115.11 121.20 1pfq h GLN 749 Ca 0.31 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1pfq h GLN 749 Cb 0.48 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1pfq h GLN 749 CO -0.59 0.89 -0.14 1.25 -0.67 0.00 0.00 178.83 179.57 1pfq h HIS 750 N 1.01 0.54 -0.69 2.96 2.76 0.16 -2.69 115.15 119.20 1pfq h HIS 750 Ca 0.23 -0.15 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 1pfq h HIS 750 Cb 0.23 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 1pfq h HIS 750 CO 0.02 0.77 0.13 0.97 -1.30 0.00 0.00 177.93 178.52 1pfq h ILE 751 N 0.15 1.26 -0.23 6.26 2.10 -0.66 -0.63 117.51 125.77 1pfq h ILE 751 Ca 0.04 -1.03 -0.19 0.00 1.08 0.00 0.00 64.86 64.77 1pfq h ILE 751 Cb 0.65 0.60 -0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1pfq h ILE 751 CO 0.04 0.39 -0.60 1.88 -1.08 0.00 0.00 178.15 178.78 1pfq h TYR 752 N 1.05 0.95 -0.14 2.19 -1.99 -1.55 -0.31 116.97 117.18 1pfq h TYR 752 Ca 0.21 -0.36 -0.12 0.00 2.00 0.00 0.00 58.73 60.46 1pfq h TYR 752 Cb 0.43 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 1pfq h TYR 752 CO 0.03 1.16 -0.45 1.79 -0.00 0.00 0.00 178.16 180.69 1pfq h THR 753 N 0.56 1.32 -0.26 -2.88 1.35 -1.30 -0.84 112.91 110.87 1pfq h THR 753 Ca -0.00 -1.64 -0.02 0.00 -0.55 0.00 0.00 66.41 64.20 1pfq h THR 753 Cb 1.19 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 1pfq h THR 753 CO 0.12 0.50 0.07 -0.74 -0.25 0.00 0.00 175.52 175.22 1pfq h HIS 754 N 0.28 0.42 -0.43 4.73 6.17 -0.95 -1.18 115.15 124.19 1pfq h HIS 754 Ca 0.02 -0.05 -0.06 0.00 0.71 0.00 0.00 60.37 61.00 1pfq h HIS 754 Cb 0.91 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.70 1pfq h HIS 754 CO 0.02 0.48 0.03 0.52 0.71 0.00 0.00 177.93 179.69 1pfq h MET 755 N 0.24 0.67 -0.54 5.26 2.07 -0.96 -2.21 114.93 119.47 1pfq h MET 755 Ca 0.08 -0.15 -0.07 0.00 -2.07 0.00 0.00 59.70 57.49 1pfq h MET 755 Cb 0.26 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 1pfq h MET 755 CO -0.00 0.67 0.06 0.77 1.07 0.00 0.00 176.91 179.48 1pfq h SER 756 N 0.64 0.88 -0.56 1.22 0.02 -0.86 -1.11 113.55 113.78 1pfq h SER 756 Ca 0.14 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1pfq h SER 756 Cb 0.36 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1pfq h SER 756 CO 0.01 0.93 0.37 0.45 -1.14 0.00 0.00 176.83 177.45 1pfq h HIS 757 N 0.79 0.70 -0.22 3.45 3.86 -1.00 -1.76 115.15 120.97 1pfq h HIS 757 Ca 0.16 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1pfq h HIS 757 Cb 0.45 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1pfq h HIS 757 CO 0.03 0.44 0.12 0.35 0.86 0.00 0.00 177.93 179.74 1pfq h PHE 758 N 0.76 0.30 -0.27 2.45 3.04 -1.09 -2.00 116.94 120.12 1pfq h PHE 758 Ca 0.20 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1pfq h PHE 758 Cb -0.09 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 1pfq h PHE 758 CO -0.04 0.26 0.09 0.82 -2.02 0.00 0.00 178.31 177.42 1pfq h ILE 759 N 0.25 1.19 -0.63 1.41 1.08 -1.13 -0.51 117.51 119.17 1pfq h ILE 759 Ca 0.08 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1pfq h ILE 759 Cb 0.06 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 1pfq h ILE 759 CO -0.01 0.20 0.41 0.11 -0.69 0.00 0.00 178.15 178.17 1pfq h LYS 760 N 0.28 0.83 -0.08 2.37 1.57 -1.26 0.14 116.57 120.42 1pfq h LYS 760 Ca 0.09 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1pfq h LYS 760 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1pfq h LYS 760 CO -0.00 0.56 -0.50 -0.56 -0.57 0.00 0.00 179.45 178.37 1pfq h GLN 761 N 0.85 0.21 -0.70 3.15 -0.00 -1.26 0.18 115.11 117.54 1pfq h GLN 761 Ca 0.23 -0.12 -0.00 0.00 -0.00 0.00 0.00 58.65 58.76 1pfq h GLN 761 Cb -0.09 0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.36 1pfq h GLN 761 CO -0.05 0.66 0.43 0.00 -0.00 0.00 0.00 178.83 179.87 1pfq n PHE 763 N -4.56 1.05 -4.08 0.00 0.99 0.41 -4.92 117.46 106.35 1pfq n PHE 763 Ca 0.06 -0.42 -0.27 0.00 -0.00 0.00 0.00 57.45 56.81 1pfq n PHE 763 Cb 0.05 -0.18 -0.05 0.00 -1.00 0.00 0.00 39.48 38.30 1pfq n PHE 763 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1pfq n SER 764 N 0.78 0.08 -0.08 4.37 7.64 -0.43 -4.89 113.62 121.08 1pfq n SER 764 Ca 0.19 -1.10 -0.09 0.00 1.01 0.00 0.00 58.87 58.88 1pfq n SER 764 Cb 0.66 -2.57 -0.04 0.00 -1.01 0.00 0.00 64.21 61.25 1pfq n SER 764 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pfq n LEU 765 N -4.46 1.84 -0.00 -3.43 4.77 0.49 -5.03 117.00 111.18 1pfq n LEU 765 Ca -0.31 0.55 0.16 0.00 -0.03 0.00 0.00 56.01 56.38 1pfq n LEU 765 Cb 0.69 -0.86 0.95 0.00 -2.33 0.00 0.00 43.42 41.86 1pfq n LEU 765 CO 0.79 -0.30 1.11 -2.65 -1.33 0.00 0.00 177.39 175.01