#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgg n ASN 34 N 0.00 2.80 0.05 -1.34 2.85 -1.26 -4.80 115.26 113.55 1pgg n ASN 34 Ca 0.00 0.30 0.20 0.00 -0.11 0.00 0.00 54.58 54.97 1pgg n ASN 34 Cb 0.00 -1.43 0.73 0.00 1.24 0.00 0.00 39.78 40.31 1pgg n ASN 34 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1pgg h PRO 35 N 13.85 0.00 0.00 1.20 0.13 -1.89 0.57 132.00 145.86 1pgg h PRO 35 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1pgg h PRO 35 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1pgg h PRO 35 CO 0.98 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.75 1pgg n TYR 38 N -3.45 0.00 -3.89 0.00 4.01 -0.61 -3.97 117.16 109.25 1pgg n TYR 38 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.47 1pgg n TYR 38 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.25 1pgg n TYR 38 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1pgg n TYR 39 N -0.95 -1.71 -0.18 -0.72 4.01 -0.00 -4.87 117.16 112.73 1pgg n TYR 39 Ca 0.19 0.74 -0.02 0.00 -0.16 0.00 0.00 57.90 58.64 1pgg n TYR 39 Cb 0.09 -3.83 0.08 0.00 -0.31 0.00 0.00 39.34 35.36 1pgg n TYR 39 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1pgg h PRO 40 N -1.85 0.45 -6.29 -0.72 0.13 -1.77 -3.43 132.00 118.53 1pgg h PRO 40 Ca -0.63 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 63.91 1pgg h PRO 40 Cb 1.37 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1pgg h PRO 40 CO 0.60 0.30 0.98 0.00 -0.23 0.00 0.00 178.00 179.65 1pgg s GLN 42 N 4.07 1.74 -1.69 0.00 -1.52 1.00 -4.32 119.66 118.94 1pgg s GLN 42 Ca 0.59 -0.27 -0.12 0.00 -1.95 0.00 0.00 55.36 53.61 1pgg s GLN 42 Cb -0.20 -2.05 0.11 0.00 -0.22 0.00 0.00 33.01 30.65 1pgg s GLN 42 CO 0.22 -1.62 0.36 0.72 -0.25 0.00 0.00 175.29 174.72 1pgg n HIS 43 N -3.21 -1.31 -1.00 0.91 8.25 -1.26 -0.96 115.22 116.64 1pgg n HIS 43 Ca 0.10 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 1pgg n HIS 43 Cb 0.60 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.18 1pgg n HIS 43 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1pgg n GLN 44 N -4.34 -0.40 -1.69 -0.41 6.02 -1.26 -4.78 117.38 110.51 1pgg n GLN 44 Ca -0.11 0.10 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1pgg n GLN 44 Cb 0.58 -3.40 0.06 0.00 1.02 0.00 0.00 30.24 28.50 1pgg n GLN 44 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1pgg s GLY 45 N -2.00 2.44 -0.23 1.08 0.00 -0.14 -4.94 107.32 103.53 1pgg s GLY 45 Ca 0.00 0.86 -0.10 0.00 0.00 0.00 0.00 44.72 45.48 1pgg s GLY 45 CO 0.00 1.25 0.14 -0.42 0.00 0.00 0.00 173.10 174.06 1pgg s ILE 46 N -1.92 5.17 -0.76 0.90 1.09 0.12 -4.73 121.20 121.07 1pgg s ILE 46 Ca 0.74 0.11 -0.27 0.00 -1.10 0.00 0.00 60.65 60.13 1pgg s ILE 46 Cb -0.28 -3.40 0.03 0.00 -1.06 0.00 0.00 42.46 37.75 1pgg s ILE 46 CO 0.40 0.36 1.34 0.00 -0.10 0.00 0.00 174.94 176.94 1pgg s VAL 48 N 5.92 5.44 0.43 0.00 1.01 0.19 -4.92 120.40 128.47 1pgg s VAL 48 Ca 0.38 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 1pgg s VAL 48 Cb -0.08 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 1pgg s VAL 48 CO 0.13 0.55 0.86 -0.60 0.00 0.00 0.00 175.10 176.04 1pgg s ARG 49 N -0.52 3.94 -0.09 2.72 6.06 -1.26 0.68 118.95 130.49 1pgg s ARG 49 Ca 0.13 0.76 -0.10 0.00 -2.50 0.00 0.00 55.73 54.02 1pgg s ARG 49 Cb -0.12 -2.28 0.03 0.00 0.06 0.00 0.00 34.95 32.63 1pgg s ARG 49 CO 0.03 -0.07 0.28 -0.06 -2.50 0.00 0.00 175.30 172.97 1pgg s PHE 50 N -2.35 -0.27 0.00 5.12 0.40 -0.99 -4.82 117.98 115.06 1pgg s PHE 50 Ca 0.56 0.64 0.00 0.00 -0.60 0.00 0.00 56.93 57.53 1pgg s PHE 50 Cb -0.10 0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.53 1pgg s PHE 50 CO 0.26 -0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.39 1pgg n GLY 51 N 2.59 0.90 0.08 4.36 0.00 -1.26 -1.40 105.19 110.46 1pgg n GLY 51 Ca -0.15 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 1pgg n GLY 51 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pgg h LEU 52 N 0.00 0.00 -0.33 0.99 3.38 -2.05 -3.41 115.31 113.90 1pgg h LEU 52 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pgg h LEU 52 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pgg h LEU 52 CO 0.00 1.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.63 1pgg n ASP 53 N -3.09 0.33 -4.75 -0.43 5.75 -1.25 -4.99 116.55 108.12 1pgg n ASP 53 Ca -0.15 -0.65 -0.23 0.00 -0.01 0.00 0.00 54.79 53.76 1pgg n ASP 53 Cb 1.04 0.43 0.09 0.00 -1.03 0.00 0.00 41.12 41.65 1pgg n ASP 53 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1pgg s ARG 54 N -0.43 1.87 0.02 0.11 0.52 -0.49 -4.84 118.95 115.70 1pgg s ARG 54 Ca 0.00 -1.07 -0.27 0.00 -0.52 0.00 0.00 55.73 53.86 1pgg s ARG 54 Cb 0.00 -2.37 0.09 0.00 0.52 0.00 0.00 34.95 33.19 1pgg s ARG 54 CO 0.00 -1.29 0.77 1.52 0.02 0.00 0.00 175.30 176.32 1pgg s TYR 55 N -3.05 -0.47 -0.02 -0.53 -0.85 -1.26 -2.36 117.35 108.80 1pgg s TYR 55 Ca 0.64 0.49 -0.02 0.00 -0.52 0.00 0.00 57.07 57.67 1pgg s TYR 55 Cb -0.06 0.51 0.01 0.00 0.38 0.00 0.00 41.96 42.79 1pgg s TYR 55 CO 0.43 -0.63 0.05 -0.65 -1.52 0.00 0.00 175.55 173.23 1pgg s GLN 56 N -2.67 0.05 -0.18 -3.49 -0.21 0.22 -4.87 119.66 108.51 1pgg s GLN 56 Ca -0.00 0.10 -0.14 0.00 0.02 0.00 0.00 55.36 55.33 1pgg s GLN 56 Cb -0.01 -0.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.95 1pgg s GLN 56 CO -0.05 -0.03 0.33 0.00 -2.12 0.00 0.00 175.29 173.41 1pgg s ASP 58 N 0.69 6.21 -0.24 0.00 -1.08 0.20 -4.77 116.67 117.69 1pgg s ASP 58 Ca 0.17 -1.07 0.07 0.00 -0.52 0.00 0.00 52.55 51.21 1pgg s ASP 58 Cb -0.14 -2.28 0.56 0.00 -1.46 0.00 0.00 42.92 39.60 1pgg s ASP 58 CO 0.05 -0.93 1.52 0.00 0.52 0.00 0.00 175.17 176.34 1pgg n THR 60 N 0.00 0.39 -3.47 0.00 -1.04 -1.26 -1.49 114.28 107.41 1pgg n THR 60 Ca 0.30 -0.07 -0.25 0.00 -2.04 0.00 0.00 64.05 61.98 1pgg n THR 60 Cb 1.11 -1.79 0.03 0.00 -1.82 0.00 0.00 70.33 67.87 1pgg n THR 60 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1pgg n ARG 61 N 5.59 -5.22 0.00 -2.82 1.74 -1.26 -4.85 116.66 109.85 1pgg n ARG 61 Ca 0.21 0.70 0.11 0.00 -0.77 0.00 0.00 57.85 58.09 1pgg n ARG 61 Cb 0.30 -5.56 -0.13 0.00 -1.02 0.00 0.00 32.46 26.04 1pgg n ARG 61 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1pgg n THR 62 N -4.51 0.05 -0.35 0.55 -2.24 -0.56 -4.96 114.28 102.26 1pgg n THR 62 Ca -0.02 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1pgg n THR 62 Cb 0.56 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1pgg n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pgg n GLY 63 N 1.33 0.73 3.14 3.38 0.00 -1.26 -5.00 105.19 107.51 1pgg n GLY 63 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1pgg n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pgg s TYR 64 N -2.46 0.81 0.43 1.61 1.51 -1.26 -2.35 117.35 115.65 1pgg s TYR 64 Ca 0.00 -0.84 0.03 0.00 -1.01 0.00 0.00 57.07 55.26 1pgg s TYR 64 Cb 0.00 -0.48 -0.02 0.00 -0.11 0.00 0.00 41.96 41.34 1pgg s TYR 64 CO 0.00 -0.15 0.09 -1.54 -1.11 0.00 0.00 175.55 172.84 1pgg s SER 65 N -2.72 3.10 0.00 2.29 1.04 0.18 -4.80 113.70 112.79 1pgg s SER 65 Ca 0.07 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.85 1pgg s SER 65 Cb 0.02 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1pgg s SER 65 CO -0.04 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1pgg n GLY 66 N -0.98 2.20 0.36 7.32 0.00 -1.26 -1.15 105.19 111.67 1pgg n GLY 66 Ca -0.09 -1.94 0.18 0.00 0.00 0.00 0.00 46.02 44.17 1pgg n GLY 66 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pgg h PRO 67 N 0.00 0.00 0.00 1.61 0.11 -1.99 -2.36 132.00 129.36 1pgg h PRO 67 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pgg h PRO 67 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1pgg h PRO 67 CO 0.00 0.00 -0.05 0.09 -0.21 0.00 0.00 178.00 177.83 1pgg n ASN 68 N -3.75 1.81 -3.42 -2.05 3.02 -1.26 -4.16 115.26 105.44 1pgg n ASN 68 Ca 0.04 -2.43 -0.19 0.00 -0.03 0.00 0.00 54.58 51.97 1pgg n ASN 68 Cb 0.45 -0.22 0.06 0.00 -0.61 0.00 0.00 39.78 39.46 1pgg n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pgg n THR 70 N -3.72 0.00 -3.16 0.00 -2.24 -0.73 -4.26 114.28 100.16 1pgg n THR 70 Ca -0.15 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 1pgg n THR 70 Cb 0.63 0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 69.42 1pgg n THR 70 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pgg s ILE 71 N -1.74 4.89 0.93 2.28 1.01 -0.30 -4.89 121.20 123.37 1pgg s ILE 71 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 1pgg s ILE 71 Cb 0.00 -4.16 0.15 0.00 0.01 0.00 0.00 42.46 38.46 1pgg s ILE 71 CO 0.00 -0.53 1.14 -2.16 0.00 0.00 0.00 174.94 173.39 1pgg s PRO 72 N 2.65 1.00 0.15 2.79 0.04 -1.26 0.52 135.00 140.89 1pgg s PRO 72 Ca 0.20 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1pgg s PRO 72 Cb -0.15 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1pgg s PRO 72 CO 0.17 -2.29 0.32 -1.21 0.04 0.00 0.00 177.00 174.04 1pgg s GLU 73 N -5.28 3.49 0.32 4.56 2.02 -0.99 -4.80 118.70 118.01 1pgg s GLU 73 Ca 0.64 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 55.31 1pgg s GLU 73 Cb -0.14 -2.92 0.89 0.00 0.10 0.00 0.00 34.13 32.05 1pgg s GLU 73 CO 0.54 0.49 1.71 0.97 0.02 0.00 0.00 175.26 178.99 1pgg h ILE 74 N 1.73 0.49 -0.04 -1.63 6.09 -1.98 0.18 117.51 122.36 1pgg h ILE 74 Ca -0.47 -0.18 -0.02 0.00 -1.37 0.00 0.00 64.86 62.82 1pgg h ILE 74 Cb 1.18 -0.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.40 1pgg h ILE 74 CO 0.70 0.09 -0.05 -0.50 -3.07 0.00 0.00 178.15 175.33 1pgg h TRP 75 N 0.52 0.13 -0.86 2.19 4.06 -1.97 -1.91 115.95 118.11 1pgg h TRP 75 Ca 0.64 -0.04 0.14 0.00 2.06 0.00 0.00 58.89 61.69 1pgg h TRP 75 Cb 1.26 -0.03 -0.09 0.00 -1.00 0.00 0.00 29.16 29.30 1pgg h TRP 75 CO -0.03 0.59 0.46 1.15 -3.56 0.00 0.00 178.44 177.05 1pgg h THR 76 N -0.37 0.77 0.28 1.49 2.02 -1.41 0.26 112.91 115.96 1pgg h THR 76 Ca 0.01 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1pgg h THR 76 Cb 0.57 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1pgg h THR 76 CO 0.01 0.12 -0.21 -0.25 0.37 0.00 0.00 175.52 175.57 1pgg h TRP 77 N 0.68 -0.54 0.70 3.16 7.01 -0.53 -1.85 115.95 124.57 1pgg h TRP 77 Ca 0.46 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.43 1pgg h TRP 77 Cb 0.60 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 1pgg h TRP 77 CO -0.08 -0.32 -0.45 -0.07 -2.79 0.00 0.00 178.44 174.73 1pgg h LEU 78 N -0.49 -1.15 -1.00 0.65 3.38 -0.29 0.24 115.31 116.65 1pgg h LEU 78 Ca -0.02 0.07 0.38 0.00 0.09 0.00 0.00 57.88 58.40 1pgg h LEU 78 Cb 0.43 0.34 -0.18 0.00 0.09 0.00 0.00 40.66 41.34 1pgg h LEU 78 CO -0.00 -0.69 0.45 -0.09 0.09 0.00 0.00 178.44 178.20 1pgg h ARG 79 N -1.09 0.05 0.09 1.13 2.43 -0.45 0.12 114.38 116.66 1pgg h ARG 79 Ca -0.09 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.78 1pgg h ARG 79 Cb 0.89 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1pgg h ARG 79 CO 0.08 0.03 -1.58 1.79 -1.51 0.00 0.00 179.97 178.78 1pgg h THR 80 N 0.05 0.87 0.00 0.20 1.35 -1.13 -3.19 112.91 111.06 1pgg h THR 80 Ca 0.79 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1pgg h THR 80 Cb 1.98 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.94 1pgg h THR 80 CO -0.77 0.69 0.00 0.71 -0.25 0.00 0.00 175.52 175.90 1pgg h THR 81 N -0.32 0.00 -0.26 6.82 1.35 0.62 -0.06 112.91 121.05 1pgg h THR 81 Ca -0.35 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1pgg h THR 81 Cb 1.76 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1pgg h THR 81 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 1pgg n LEU 82 N -2.56 2.90 -4.60 3.87 4.32 -0.13 -4.95 117.00 115.86 1pgg n LEU 82 Ca -0.02 -1.45 -0.43 0.00 -0.02 0.00 0.00 56.01 54.09 1pgg n LEU 82 Cb 0.05 -0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 41.67 1pgg n LEU 82 CO 0.14 0.62 0.98 -0.13 -1.22 0.00 0.00 177.39 177.78 1pgg s ARG 83 N -1.25 3.71 0.46 3.23 0.52 -0.04 -5.00 118.95 120.58 1pgg s ARG 83 Ca 0.27 0.52 -0.24 0.00 -0.52 0.00 0.00 55.73 55.76 1pgg s ARG 83 Cb 0.16 -3.90 -0.07 0.00 0.52 0.00 0.00 34.95 31.66 1pgg s ARG 83 CO 0.23 -1.34 1.26 -1.25 0.02 0.00 0.00 175.30 174.22 1pgg s PRO 84 N 4.31 3.68 0.74 3.54 0.04 -1.26 -4.94 135.00 141.12 1pgg s PRO 84 Ca 0.46 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.37 1pgg s PRO 84 Cb -0.08 -2.50 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 1pgg s PRO 84 CO 0.30 -0.68 0.80 -1.13 0.04 0.00 0.00 177.00 176.33 1pgg n SER 85 N -0.39 -0.20 0.18 6.66 3.41 -1.26 -4.68 113.62 117.34 1pgg n SER 85 Ca 0.07 0.62 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 1pgg n SER 85 Cb 0.46 -1.34 0.61 0.00 -0.26 0.00 0.00 64.21 63.67 1pgg n SER 85 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1pgg h PRO 86 N -0.42 0.00 0.07 4.33 0.11 -1.97 0.58 132.00 134.70 1pgg h PRO 86 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1pgg h PRO 86 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1pgg h PRO 86 CO 0.45 0.00 -0.72 0.77 -0.21 0.00 0.00 178.00 178.29 1pgg h SER 87 N 0.00 0.24 -0.82 -2.05 0.02 -1.98 -2.93 113.55 106.02 1pgg h SER 87 Ca 0.00 -0.89 -0.01 0.00 -0.84 0.00 0.00 61.79 60.04 1pgg h SER 87 Cb 0.30 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1pgg h SER 87 CO 0.00 1.32 0.47 0.15 -1.14 0.00 0.00 176.83 177.63 1pgg h PHE 88 N -0.65 1.11 -0.08 3.45 3.57 -0.25 -2.28 116.94 121.81 1pgg h PHE 88 Ca -0.15 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.29 1pgg h PHE 88 Cb 1.41 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1pgg h PHE 88 CO 0.20 0.76 -0.10 0.82 -2.23 0.00 0.00 178.31 177.76 1pgg h ILE 89 N 1.14 1.38 0.00 1.41 1.08 -1.02 -2.55 117.51 118.95 1pgg h ILE 89 Ca 0.29 -1.30 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1pgg h ILE 89 Cb 0.00 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 1pgg h ILE 89 CO -0.05 0.36 0.13 1.57 -0.69 0.00 0.00 178.15 179.48 1pgg n HIS 90 N -4.66 0.57 -0.00 1.37 -0.00 -1.02 -0.83 115.22 110.64 1pgg n HIS 90 Ca -0.07 0.30 -0.04 0.00 0.46 0.00 0.00 57.72 58.36 1pgg n HIS 90 Cb 0.33 -0.88 -0.03 0.00 -0.12 0.00 0.00 29.99 29.29 1pgg n HIS 90 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1pgg h PHE 91 N 0.00 -0.11 0.01 1.57 3.04 -1.01 -3.27 116.94 117.17 1pgg h PHE 91 Ca 0.00 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1pgg h PHE 91 Cb 0.27 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.76 1pgg h PHE 91 CO 0.00 0.11 -0.28 -0.07 -2.02 0.00 0.00 178.31 176.05 1pgg h LEU 92 N -1.01 -0.83 -1.30 0.59 4.07 -0.72 -2.28 115.31 113.84 1pgg h LEU 92 Ca -0.01 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1pgg h LEU 92 Cb 0.26 0.33 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1pgg h LEU 92 CO 0.02 -0.35 0.05 0.18 -1.08 0.00 0.00 178.44 177.26 1pgg n LEU 93 N -5.39 0.51 -0.76 1.67 4.77 -0.57 0.38 117.00 117.61 1pgg n LEU 93 Ca -0.05 0.72 0.07 0.00 -0.03 0.00 0.00 56.01 56.72 1pgg n LEU 93 Cb 0.30 -0.77 0.21 0.00 -2.33 0.00 0.00 43.42 40.83 1pgg n LEU 93 CO 0.21 -0.89 0.67 0.35 -1.33 0.00 0.00 177.39 176.40 1pgg n THR 94 N -2.20 1.68 -4.09 -5.08 -2.24 -0.89 -0.58 114.28 100.88 1pgg n THR 94 Ca -0.01 -1.46 -0.08 0.00 -2.27 0.00 0.00 64.05 60.22 1pgg n THR 94 Cb 0.08 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 1pgg n THR 94 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1pgg s HIS 95 N -1.96 0.55 -0.26 4.78 3.76 0.16 -4.90 115.29 117.42 1pgg s HIS 95 Ca 0.33 -0.97 -0.01 0.00 -0.15 0.00 0.00 55.06 54.25 1pgg s HIS 95 Cb 0.23 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.54 1pgg s HIS 95 CO 0.12 -0.32 0.14 0.41 -0.85 0.00 0.00 174.74 174.24 1pgg n GLY 96 N 0.29 0.55 0.21 -2.22 0.00 -1.26 -4.76 105.19 98.00 1pgg n GLY 96 Ca -0.15 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.43 1pgg n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pgg n ARG 97 N -1.30 -0.04 -0.05 1.61 3.00 -1.26 0.15 116.66 118.77 1pgg n ARG 97 Ca -0.01 0.90 -0.11 0.00 -0.00 0.00 0.00 57.85 58.63 1pgg n ARG 97 Cb 0.52 -1.53 -0.05 0.00 0.00 0.00 0.00 32.46 31.40 1pgg n ARG 97 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.63 177.74 1pgg h TRP 98 N 0.00 0.28 -0.68 -0.14 5.08 -2.00 0.16 115.95 118.66 1pgg h TRP 98 Ca 0.46 -0.03 -0.06 0.00 1.08 0.00 0.00 58.89 60.34 1pgg h TRP 98 Cb 1.12 -0.08 -0.03 0.00 -3.00 0.00 0.00 29.16 27.17 1pgg h TRP 98 CO -0.15 0.36 0.18 1.25 -1.28 0.00 0.00 178.44 178.80 1pgg h LEU 99 N 0.12 1.01 -0.47 0.11 5.85 0.10 -2.94 115.31 119.09 1pgg h LEU 99 Ca 0.06 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1pgg h LEU 99 Cb 0.21 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1pgg h LEU 99 CO -0.00 0.97 0.20 -0.50 -0.34 0.00 0.00 178.44 178.77 1pgg h TRP 100 N 1.00 0.71 -0.89 1.25 4.06 -0.84 -2.45 115.95 118.80 1pgg h TRP 100 Ca 0.21 -0.05 0.21 0.00 2.06 0.00 0.00 58.89 61.33 1pgg h TRP 100 Cb 0.34 -0.21 -0.12 0.00 -1.00 0.00 0.00 29.16 28.17 1pgg h TRP 100 CO 0.03 0.59 0.39 -0.44 -3.56 0.00 0.00 178.44 175.45 1pgg h ASP 101 N 0.62 0.34 0.63 -3.49 3.32 -0.52 0.68 116.42 118.00 1pgg h ASP 101 Ca 0.16 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1pgg h ASP 101 Cb 0.18 0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1pgg h ASP 101 CO -0.01 0.02 -0.30 0.15 -1.72 0.00 0.00 179.24 177.37 1pgg h PHE 102 N 0.42 -0.79 -0.41 4.55 3.57 -1.44 -2.84 116.94 120.00 1pgg h PHE 102 Ca 0.54 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.10 1pgg h PHE 102 Cb 1.01 0.26 -0.09 0.00 2.79 0.00 0.00 35.95 39.91 1pgg h PHE 102 CO -0.14 -0.45 -0.36 0.28 -2.23 0.00 0.00 178.31 175.41 1pgg h VAL 103 N -1.14 0.19 -0.93 1.41 2.07 -0.83 0.54 116.25 117.55 1pgg h VAL 103 Ca -0.09 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.70 1pgg h VAL 103 Cb 0.69 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1pgg h VAL 103 CO 0.14 0.00 0.89 0.78 0.02 0.00 0.00 177.57 179.40 1pgg h ASN 104 N -0.27 0.00 0.12 0.57 2.35 0.33 0.46 115.58 119.13 1pgg h ASN 104 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1pgg h ASN 104 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1pgg h ASN 104 CO -0.56 0.00 -0.84 0.00 -1.65 0.00 0.00 177.43 174.38 1pgg n ALA 105 N -2.45 4.39 -2.49 -0.83 0.00 0.18 -4.73 120.51 114.57 1pgg n ALA 105 Ca 0.20 -0.54 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 1pgg n ALA 105 Cb 1.19 -0.86 0.13 0.00 0.00 0.00 0.00 19.45 19.92 1pgg n ALA 105 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pgg n THR 106 N -1.39 0.00 0.21 0.00 -2.24 0.16 -4.97 114.28 106.05 1pgg n THR 106 Ca 0.05 -1.46 0.09 0.00 -2.27 0.00 0.00 64.05 60.46 1pgg n THR 106 Cb 0.34 -1.00 0.38 0.00 -2.10 0.00 0.00 70.33 67.95 1pgg n THR 106 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1pgg h PHE 107 N -0.81 0.00 -0.74 4.78 -0.00 -1.92 -3.20 116.94 115.05 1pgg h PHE 107 Ca -0.34 0.00 0.21 0.00 -0.00 0.00 0.00 57.97 57.84 1pgg h PHE 107 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.13 1pgg h PHE 107 CO 0.00 0.23 0.71 0.82 -0.00 0.00 0.00 178.31 180.08 1pgg h ILE 108 N 0.00 0.30 -0.62 0.88 2.04 -1.94 -0.89 117.51 117.29 1pgg h ILE 108 Ca -0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1pgg h ILE 108 Cb 0.85 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1pgg h ILE 108 CO 0.03 0.00 0.41 -0.09 0.00 0.00 0.00 178.15 178.51 1pgg h ARG 109 N 0.00 0.36 0.00 2.37 2.43 -1.66 0.21 114.38 118.10 1pgg h ARG 109 Ca 0.35 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1pgg h ARG 109 Cb 1.77 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 1pgg h ARG 109 CO -0.00 0.24 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.26 1pgg h ASP 110 N 0.38 -0.00 -0.45 -3.80 5.19 -1.44 -3.17 116.42 113.12 1pgg h ASP 110 Ca 0.29 -0.89 0.09 0.00 -0.62 0.00 0.00 57.03 55.90 1pgg h ASP 110 Cb 0.63 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.05 1pgg h ASP 110 CO -0.08 0.92 -0.08 0.74 -3.12 0.00 0.00 179.24 177.62 1pgg h THR 111 N -0.96 0.58 0.45 0.35 2.02 -0.98 0.93 112.91 115.29 1pgg h THR 111 Ca -0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1pgg h THR 111 Cb 0.89 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1pgg h THR 111 CO 0.00 0.01 -0.23 -0.07 0.37 0.00 0.00 175.52 175.60 1pgg h LEU 112 N 0.03 -0.55 -0.85 2.58 3.38 -0.82 -2.55 115.31 116.51 1pgg h LEU 112 Ca 0.22 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.41 1pgg h LEU 112 Cb 0.33 0.15 -0.16 0.00 0.09 0.00 0.00 40.66 41.07 1pgg h LEU 112 CO -0.44 -0.38 -0.10 0.80 0.09 0.00 0.00 178.44 178.41 1pgg n MET 113 N -3.72 -0.07 0.08 1.13 1.56 -0.90 0.13 117.12 115.33 1pgg n MET 113 Ca -0.08 1.31 -0.12 0.00 -0.27 0.00 0.00 57.70 58.54 1pgg n MET 113 Cb 0.25 -2.01 -0.05 0.00 2.15 0.00 0.00 33.22 33.55 1pgg n MET 113 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 1pgg h ARG 114 N 0.00 -0.40 -0.74 2.12 2.43 -0.70 0.31 114.38 117.41 1pgg h ARG 114 Ca 0.46 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.80 1pgg h ARG 114 Cb 0.84 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.38 1pgg h ARG 114 CO -0.84 -0.26 0.29 1.25 -1.51 0.00 0.00 179.97 178.89 1pgg h LEU 115 N -0.41 0.27 0.07 3.80 6.46 0.15 0.29 115.31 125.94 1pgg h LEU 115 Ca 0.05 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1pgg h LEU 115 Cb 0.47 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1pgg h LEU 115 CO -0.19 0.11 -0.03 0.58 -0.62 0.00 0.00 178.44 178.29 1pgg h VAL 116 N 0.44 0.95 0.39 1.05 2.07 -0.01 0.11 116.25 121.24 1pgg h VAL 116 Ca 0.40 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.84 1pgg h VAL 116 Cb 0.60 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1pgg h VAL 116 CO -0.39 0.02 -0.46 -0.07 0.02 0.00 0.00 177.57 176.68 1pgg h LEU 117 N -0.13 -1.30 0.31 2.57 4.07 0.25 0.26 115.31 121.35 1pgg h LEU 117 Ca -0.01 0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1pgg h LEU 117 Cb 0.10 0.44 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 1pgg h LEU 117 CO 0.02 -0.59 -0.51 0.71 -1.08 0.00 0.00 178.44 176.99 1pgg h THR 118 N -0.87 0.00 0.10 0.22 1.35 -0.43 -1.74 112.91 111.55 1pgg h THR 118 Ca -0.05 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.83 1pgg h THR 118 Cb 0.77 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.16 1pgg h THR 118 CO -0.10 0.00 -0.27 0.58 -0.25 0.00 0.00 175.52 175.49 1pgg h VAL 119 N -0.87 0.41 -0.42 6.82 2.07 -0.90 -2.18 116.25 121.17 1pgg h VAL 119 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1pgg h VAL 119 Cb 0.80 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1pgg h VAL 119 CO -0.17 0.00 -0.13 -0.09 0.02 0.00 0.00 177.57 177.21 1pgg h ARG 120 N -0.47 -0.03 -0.87 1.57 9.65 -0.32 -2.97 114.38 120.95 1pgg h ARG 120 Ca 0.03 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1pgg h ARG 120 Cb 0.50 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 1pgg h ARG 120 CO -0.16 -0.02 0.57 0.77 2.80 0.00 0.00 179.97 183.93 1pgg h SER 121 N -0.03 0.98 -1.02 -3.80 0.02 -0.83 -2.69 113.55 106.19 1pgg h SER 121 Ca 0.20 -0.02 0.30 0.00 -0.84 0.00 0.00 61.79 61.43 1pgg h SER 121 Cb 0.34 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1pgg h SER 121 CO -0.45 0.71 0.77 0.78 -1.14 0.00 0.00 176.83 177.49 1pgg h ASN 122 N 1.16 0.00 0.21 3.07 4.21 -1.24 0.11 115.58 123.10 1pgg h ASN 122 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 1pgg h ASN 122 Cb -0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.09 1pgg h ASN 122 CO -0.08 0.00 0.00 -0.07 -1.29 0.00 0.00 177.43 175.99 1pgg h LEU 123 N 0.00 0.00 -8.55 1.61 -0.00 -1.61 -3.41 115.31 103.35 1pgg h LEU 123 Ca 0.48 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.71 1pgg h LEU 123 Cb 2.01 0.00 -0.26 0.00 -0.00 0.00 0.00 40.66 42.41 1pgg h LEU 123 CO -0.01 0.00 -0.70 -0.63 -0.00 0.00 0.00 178.44 177.10 1pgg s ILE 124 N -3.97 3.55 0.32 1.22 -1.09 0.38 -5.03 121.20 116.58 1pgg s ILE 124 Ca -0.03 -0.45 -0.28 0.00 -2.23 0.00 0.00 60.65 57.66 1pgg s ILE 124 Cb 0.11 -2.59 -0.09 0.00 -1.58 0.00 0.00 42.46 38.31 1pgg s ILE 124 CO 0.41 0.44 1.13 -2.16 -1.23 0.00 0.00 174.94 173.53 1pgg s PRO 125 N 1.09 4.45 -0.24 2.79 0.04 -1.26 -5.02 135.00 136.84 1pgg s PRO 125 Ca 0.01 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1pgg s PRO 125 Cb -0.15 -3.01 0.07 0.00 0.04 0.00 0.00 34.50 31.46 1pgg s PRO 125 CO 0.00 0.03 0.60 -1.12 0.04 0.00 0.00 177.00 176.55 1pgg s SER 126 N -0.96 -0.80 0.90 6.66 0.01 -1.26 -3.65 113.70 114.60 1pgg s SER 126 Ca 0.49 1.31 -0.10 0.00 1.31 0.00 0.00 55.95 58.95 1pgg s SER 126 Cb -0.31 1.18 0.13 0.00 0.21 0.00 0.00 66.02 67.23 1pgg s SER 126 CO 0.40 -0.22 1.13 -2.16 0.41 0.00 0.00 173.24 172.80 1pgg s PRO 127 N 1.54 1.19 0.92 12.44 0.04 -1.26 -5.04 135.00 144.82 1pgg s PRO 127 Ca -0.10 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.26 1pgg s PRO 127 Cb -0.06 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.78 1pgg s PRO 127 CO -0.17 -2.48 0.60 -0.35 0.04 0.00 0.00 177.00 174.64 1pgg n PRO 128 N -4.12 -0.24 0.00 0.56 -0.04 -1.24 -5.05 135.00 124.86 1pgg n PRO 128 Ca 0.11 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1pgg n PRO 128 Cb 0.52 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1pgg n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1pgg n THR 129 N -3.60 0.00 -2.82 0.52 -2.24 -1.26 -4.82 114.28 100.05 1pgg n THR 129 Ca 0.08 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.66 1pgg n THR 129 Cb 0.53 -0.47 0.02 0.00 -2.10 0.00 0.00 70.33 68.31 1pgg n THR 129 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1pgg s TYR 130 N 0.00 2.95 0.32 4.78 2.02 -1.25 -4.54 117.35 121.62 1pgg s TYR 130 Ca 0.00 -0.03 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 1pgg s TYR 130 Cb 0.00 -2.55 -0.01 0.00 -0.40 0.00 0.00 41.96 39.00 1pgg s TYR 130 CO 0.00 -0.64 0.41 0.54 -1.57 0.00 0.00 175.55 174.29 1pgg s ASN 131 N -4.35 0.91 0.47 2.29 2.20 -0.66 -2.19 114.94 113.60 1pgg s ASN 131 Ca 0.54 -1.48 0.25 0.00 -0.94 0.00 0.00 52.86 51.23 1pgg s ASN 131 Cb -0.10 0.61 1.28 0.00 -2.00 0.00 0.00 41.25 41.04 1pgg s ASN 131 CO 0.37 -1.20 1.84 -0.29 -2.94 0.00 0.00 177.10 174.87 1pgg h ILE 132 N 2.17 0.56 0.00 0.54 6.09 -1.86 -2.13 117.51 122.88 1pgg h ILE 132 Ca -0.28 -0.08 -0.10 0.00 -1.37 0.00 0.00 64.86 63.03 1pgg h ILE 132 Cb 1.24 0.32 -0.02 0.00 0.47 0.00 0.00 36.82 38.83 1pgg h ILE 132 CO 0.39 0.04 -1.23 0.00 -3.07 0.00 0.00 178.15 174.28 1pgg h ALA 133 N 1.57 0.59 -3.27 0.18 0.00 -1.95 -3.46 119.26 112.91 1pgg h ALA 133 Ca 0.50 -0.49 -0.50 0.00 0.00 0.00 0.00 54.91 54.42 1pgg h ALA 133 Cb 1.58 0.16 -0.38 0.00 0.00 0.00 0.00 17.79 19.15 1pgg h ALA 133 CO -0.13 0.53 -0.78 -1.01 0.00 0.00 0.00 179.25 177.86 1pgg s HIS 134 N -3.11 1.17 -0.58 0.00 3.76 -0.80 -4.97 115.29 110.76 1pgg s HIS 134 Ca -0.02 -0.70 -0.02 0.00 -0.15 0.00 0.00 55.06 54.17 1pgg s HIS 134 Cb 0.09 -1.06 0.31 0.00 1.11 0.00 0.00 32.58 33.02 1pgg s HIS 134 CO 0.80 -0.51 2.15 -0.25 -0.85 0.00 0.00 174.74 176.08 1pgg n ASP 135 N 5.02 7.16 -3.45 1.40 8.00 -1.26 -1.65 116.55 131.76 1pgg n ASP 135 Ca -0.10 -3.52 -0.12 0.00 0.71 0.00 0.00 54.79 51.76 1pgg n ASP 135 Cb 0.48 -1.06 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 1pgg n ASP 135 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1pgg s TYR 136 N -3.02 -0.52 0.52 1.24 -0.85 -1.26 -4.98 117.35 108.48 1pgg s TYR 136 Ca 0.53 0.37 -0.21 0.00 -0.52 0.00 0.00 57.07 57.23 1pgg s TYR 136 Cb 0.41 0.51 -0.06 0.00 0.38 0.00 0.00 41.96 43.20 1pgg s TYR 136 CO -0.13 -0.81 1.19 0.42 -1.52 0.00 0.00 175.55 174.70 1pgg s ILE 137 N -3.48 2.90 -0.17 -3.49 1.09 -1.26 -4.54 121.20 112.25 1pgg s ILE 137 Ca -0.00 0.62 -0.30 0.00 -1.10 0.00 0.00 60.65 59.87 1pgg s ILE 137 Cb -0.01 -3.29 0.13 0.00 -1.06 0.00 0.00 42.46 38.23 1pgg s ILE 137 CO -0.10 -0.06 1.00 -0.94 -0.10 0.00 0.00 174.94 174.73 1pgg s SER 138 N -1.47 -0.38 0.25 3.58 1.04 -1.26 -5.01 113.70 110.46 1pgg s SER 138 Ca 0.70 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 57.52 1pgg s SER 138 Cb -0.29 0.34 0.36 0.00 0.10 0.00 0.00 66.02 66.53 1pgg s SER 138 CO 0.34 -0.33 1.86 -0.25 0.98 0.00 0.00 173.24 175.84 1pgg h TRP 139 N 2.68 1.04 -0.51 5.02 2.91 -1.98 -0.93 115.95 124.18 1pgg h TRP 139 Ca -0.19 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.82 1pgg h TRP 139 Cb 1.16 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 29.45 1pgg h TRP 139 CO 0.29 0.52 0.18 1.49 -1.03 0.00 0.00 178.44 179.89 1pgg h GLU 140 N 1.02 0.75 -0.12 2.65 4.57 -1.97 0.20 114.58 121.69 1pgg h GLU 140 Ca 0.40 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1pgg h GLU 140 Cb 0.19 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1pgg h GLU 140 CO -0.18 0.64 -0.02 1.03 -1.18 0.00 0.00 179.01 179.30 1pgg h SER 141 N 0.74 0.23 0.20 1.04 0.87 -1.55 0.52 113.55 115.61 1pgg h SER 141 Ca 0.17 -0.36 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1pgg h SER 141 Cb 0.19 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1pgg h SER 141 CO -0.01 0.53 -0.17 0.15 -0.53 0.00 0.00 176.83 176.80 1pgg h PHE 142 N -0.08 0.00 0.00 2.24 3.57 -0.67 -3.27 116.94 118.73 1pgg h PHE 142 Ca 0.03 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.36 1pgg h PHE 142 Cb 0.43 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1pgg h PHE 142 CO 0.05 0.17 -1.83 -1.13 -2.23 0.00 0.00 178.31 173.35 1pgg n SER 143 N -4.22 1.75 -4.55 0.41 3.41 0.66 -4.85 113.62 106.23 1pgg n SER 143 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 1pgg n SER 143 Cb 0.24 1.07 -0.03 0.00 -0.26 0.00 0.00 64.21 65.24 1pgg n SER 143 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1pgg s ASN 144 N -4.32 6.23 0.00 4.04 3.84 0.18 -4.85 114.94 120.06 1pgg s ASN 144 Ca -0.06 -0.67 0.21 0.00 0.21 0.00 0.00 52.86 52.55 1pgg s ASN 144 Cb 0.05 -2.56 1.25 0.00 -0.55 0.00 0.00 41.25 39.45 1pgg s ASN 144 CO 0.55 -1.76 1.67 0.52 -2.79 0.00 0.00 177.10 175.30 1pgg n VAL 145 N 6.46 0.00 0.44 -5.21 0.31 -1.26 -3.17 118.33 115.90 1pgg n VAL 145 Ca 0.09 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.54 1pgg n VAL 145 Cb 0.49 -0.54 0.35 0.00 -0.91 0.00 0.00 33.84 33.22 1pgg n VAL 145 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1pgg h SER 146 N 0.00 0.00 -3.60 4.52 0.02 -1.88 -3.44 113.55 109.17 1pgg h SER 146 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1pgg h SER 146 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1pgg h SER 146 CO 0.00 0.00 0.04 -0.31 -1.14 0.00 0.00 176.83 175.42 1pgg s TYR 147 N -3.20 3.46 0.34 3.45 1.51 -1.19 -0.33 117.35 121.39 1pgg s TYR 147 Ca 0.08 1.16 -0.12 0.00 -1.01 0.00 0.00 57.07 57.18 1pgg s TYR 147 Cb 0.09 -2.48 -0.08 0.00 -0.11 0.00 0.00 41.96 39.39 1pgg s TYR 147 CO 0.60 0.21 0.72 0.71 -1.11 0.00 0.00 175.55 176.68 1pgg s TYR 148 N -1.81 3.42 0.43 2.71 2.02 -0.07 -4.79 117.35 119.25 1pgg s TYR 148 Ca 0.49 1.09 0.02 0.00 -0.37 0.00 0.00 57.07 58.30 1pgg s TYR 148 Cb -0.12 -2.45 0.08 0.00 -0.40 0.00 0.00 41.96 39.07 1pgg s TYR 148 CO 0.19 0.04 0.59 -2.37 -1.57 0.00 0.00 175.55 172.44 1pgg n THR 149 N -0.70 0.00 -3.69 -0.71 5.66 -0.53 -4.30 114.28 110.01 1pgg n THR 149 Ca 0.03 -1.09 -0.14 0.00 -3.05 0.00 0.00 64.05 59.79 1pgg n THR 149 Cb 0.53 -0.93 -0.08 0.00 -1.55 0.00 0.00 70.33 68.30 1pgg n THR 149 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pgg s ARG 150 N -3.97 0.71 0.05 1.09 1.70 -0.93 0.33 118.95 117.93 1pgg s ARG 150 Ca 0.41 0.23 -0.12 0.00 -0.47 0.00 0.00 55.73 55.79 1pgg s ARG 150 Cb -0.03 0.33 -0.32 0.00 -0.57 0.00 0.00 34.95 34.36 1pgg s ARG 150 CO 0.27 -0.17 1.07 0.82 -1.08 0.00 0.00 175.30 176.21 1pgg h ILE 151 N 3.89 1.36 -4.47 4.99 1.08 -1.98 -3.32 117.51 119.05 1pgg h ILE 151 Ca -0.28 -2.80 -0.70 0.00 -0.39 0.00 0.00 64.86 60.69 1pgg h ILE 151 Cb 1.17 2.97 -0.28 0.00 -3.07 0.00 0.00 36.82 37.60 1pgg h ILE 151 CO 0.32 0.83 -0.86 -0.76 -0.69 0.00 0.00 178.15 176.99 1pgg s LEU 152 N -7.47 2.21 1.02 1.44 1.43 -1.26 -4.95 118.68 111.10 1pgg s LEU 152 Ca -0.07 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 1pgg s LEU 152 Cb 0.05 -1.39 0.20 0.00 0.03 0.00 0.00 46.19 45.08 1pgg s LEU 152 CO 0.92 0.33 1.08 -2.16 0.23 0.00 0.00 176.35 176.75 1pgg s PRO 153 N -0.65 0.23 0.99 1.29 0.04 -1.26 -4.85 135.00 130.79 1pgg s PRO 153 Ca 0.10 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 1pgg s PRO 153 Cb -0.10 -1.68 0.18 0.00 0.04 0.00 0.00 34.50 32.94 1pgg s PRO 153 CO -0.01 -2.99 1.11 -1.54 0.04 0.00 0.00 177.00 173.61 1pgg s SER 154 N -2.86 2.75 -0.38 6.66 1.04 -1.26 -4.57 113.70 115.08 1pgg s SER 154 Ca 0.66 1.04 -0.29 0.00 0.48 0.00 0.00 55.95 57.85 1pgg s SER 154 Cb -0.22 -1.64 0.02 0.00 0.10 0.00 0.00 66.02 64.28 1pgg s SER 154 CO 0.60 -3.03 1.14 -0.69 0.98 0.00 0.00 173.24 172.24 1pgg s VAL 155 N -3.09 4.33 0.10 5.02 1.01 -0.50 -4.93 120.40 122.33 1pgg s VAL 155 Ca 0.65 1.46 -0.33 0.00 0.00 0.00 0.00 61.98 63.76 1pgg s VAL 155 Cb -0.17 -4.45 -0.18 0.00 0.00 0.00 0.00 36.38 31.58 1pgg s VAL 155 CO 0.56 -0.69 0.78 -2.65 0.00 0.00 0.00 175.10 173.10 1pgg n PRO 156 N 7.34 0.00 0.00 2.72 -0.02 -1.26 -4.79 135.00 138.98 1pgg n PRO 156 Ca 0.13 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.65 1pgg n PRO 156 Cb 0.48 -1.22 0.24 0.00 -0.02 0.00 0.00 33.50 32.98 1pgg n PRO 156 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1pgg n ARG 157 N 1.22 0.13 -0.77 -0.52 1.74 -1.26 -2.82 116.66 114.38 1pgg n ARG 157 Ca 0.19 0.20 -0.03 0.00 -0.77 0.00 0.00 57.85 57.44 1pgg n ARG 157 Cb 0.16 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.32 1pgg n ARG 157 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1pgg n ASP 158 N -1.30 3.00 -4.90 0.55 5.75 -1.26 -5.01 116.55 113.37 1pgg n ASP 158 Ca 0.04 -3.57 -0.29 0.00 -0.01 0.00 0.00 54.79 50.96 1pgg n ASP 158 Cb 0.08 -0.64 -0.04 0.00 -1.03 0.00 0.00 41.12 39.49 1pgg n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pgg h PRO 160 N 1.95 -0.30 -6.19 0.00 0.11 -1.90 -3.43 132.00 122.24 1pgg h PRO 160 Ca -0.47 0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 1pgg h PRO 160 Cb 1.18 0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.26 1pgg h PRO 160 CO 0.67 -0.20 -0.67 0.95 -0.21 0.00 0.00 178.00 178.55 1pgg s THR 161 N -6.04 3.15 0.54 -1.15 -4.23 -0.67 -4.89 115.64 102.35 1pgg s THR 161 Ca -0.15 -2.03 0.33 0.00 -1.18 0.00 0.00 61.69 58.66 1pgg s THR 161 Cb 0.11 -2.72 0.50 0.00 1.34 0.00 0.00 72.50 71.73 1pgg s THR 161 CO 0.67 -0.36 1.86 -0.65 -0.54 0.00 0.00 174.62 175.60 1pgg h PRO 162 N 1.96 0.00 -0.59 3.99 0.11 -1.82 0.13 132.00 135.78 1pgg h PRO 162 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pgg h PRO 162 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1pgg h PRO 162 CO 0.61 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.07 1pgg n MET 163 N -4.21 3.36 0.00 1.05 2.81 -1.26 -4.88 117.12 113.99 1pgg n MET 163 Ca 0.20 -2.72 0.00 0.00 -1.81 0.00 0.00 57.70 53.37 1pgg n MET 163 Cb 1.03 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 1pgg n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pgg n GLY 164 N 1.00 1.33 0.04 3.03 0.00 0.47 -4.61 105.19 106.45 1pgg n GLY 164 Ca 0.23 -0.85 -0.00 0.00 0.00 0.00 0.00 46.02 45.40 1pgg n GLY 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pgg n THR 165 N 0.00 0.50 -3.73 2.61 -1.04 -1.26 -1.67 114.28 109.69 1pgg n THR 165 Ca 0.00 -0.45 -0.22 0.00 -2.04 0.00 0.00 64.05 61.33 1pgg n THR 165 Cb 0.00 -0.28 -0.04 0.00 -1.82 0.00 0.00 70.33 68.20 1pgg n THR 165 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1pgg s LYS 166 N -2.62 2.42 0.69 -2.82 1.02 -1.26 -4.72 119.74 112.44 1pgg s LYS 166 Ca -0.06 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.25 1pgg s LYS 166 Cb 0.06 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1pgg s LYS 166 CO 0.56 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 1pgg n GLY 167 N -1.52 -2.15 3.94 -3.33 0.00 -1.26 -4.53 105.19 96.34 1pgg n GLY 167 Ca 0.02 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.25 1pgg n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pgg s LYS 168 N -0.19 2.96 0.21 1.61 1.02 -1.22 -4.94 119.74 119.18 1pgg s LYS 168 Ca 0.00 -0.26 0.24 0.00 0.02 0.00 0.00 55.97 55.97 1pgg s LYS 168 Cb 0.00 -2.41 0.92 0.00 -0.52 0.00 0.00 37.83 35.82 1pgg s LYS 168 CO 0.00 -0.52 1.72 1.63 -0.92 0.00 0.00 175.35 177.26 1pgg n LYS 169 N -2.35 0.19 -4.90 1.68 4.76 -1.26 -4.36 118.16 111.91 1pgg n LYS 169 Ca 0.03 0.33 -0.26 0.00 -2.87 0.00 0.00 58.31 55.54 1pgg n LYS 169 Cb 0.58 -1.80 -0.15 0.00 -1.84 0.00 0.00 35.03 31.81 1pgg n LYS 169 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1pgg s GLN 170 N -3.21 1.52 0.12 1.97 2.00 -1.26 -4.64 119.66 116.15 1pgg s GLN 170 Ca 0.07 -0.68 0.02 0.00 -2.00 0.00 0.00 55.36 52.76 1pgg s GLN 170 Cb 0.11 -1.47 -0.04 0.00 0.80 0.00 0.00 33.01 32.41 1pgg s GLN 170 CO 0.45 0.40 0.25 -0.51 -0.50 0.00 0.00 175.29 175.38 1pgg s LEU 171 N -0.47 4.30 0.20 3.68 1.02 -1.26 -5.04 118.68 121.11 1pgg s LEU 171 Ca 0.07 0.18 -0.31 0.00 0.02 0.00 0.00 54.13 54.09 1pgg s LEU 171 Cb -0.07 -2.89 -0.15 0.00 0.02 0.00 0.00 46.19 43.09 1pgg s LEU 171 CO -0.01 0.09 1.07 -2.65 0.02 0.00 0.00 176.35 174.88 1pgg n PRO 172 N -0.23 1.08 -1.66 1.29 -0.02 -1.26 -4.81 135.00 129.39 1pgg n PRO 172 Ca -0.06 0.38 -0.46 0.00 -2.02 0.00 0.00 63.50 61.34 1pgg n PRO 172 Cb 0.53 -1.81 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 1pgg n PRO 172 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1pgg n ASP 173 N 1.81 3.63 -0.18 2.55 2.03 -1.26 -4.85 116.55 120.28 1pgg n ASP 173 Ca 0.14 0.85 -0.04 0.00 0.52 0.00 0.00 54.79 56.26 1pgg n ASP 173 Cb 0.26 -1.44 0.03 0.00 -0.72 0.00 0.00 41.12 39.25 1pgg n ASP 173 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pgg h ALA 174 N 10.42 0.14 -0.32 -1.67 0.00 -1.93 -0.42 119.26 125.47 1pgg h ALA 174 Ca -0.47 0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.69 1pgg h ALA 174 Cb 1.26 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 19.57 1pgg h ALA 174 CO 0.95 -0.57 -0.31 1.49 0.00 0.00 0.00 179.25 180.82 1pgg h GLU 175 N -0.11 -0.27 -0.22 0.00 4.57 -1.89 0.26 114.58 116.92 1pgg h GLU 175 Ca 0.24 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1pgg h GLU 175 Cb 0.50 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1pgg h GLU 175 CO -0.61 -0.18 0.09 0.35 -1.18 0.00 0.00 179.01 177.48 1pgg h PHE 176 N -0.28 0.33 -0.96 0.92 3.57 -1.78 -0.44 116.94 118.31 1pgg h PHE 176 Ca 0.15 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1pgg h PHE 176 Cb 0.52 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 1pgg h PHE 176 CO -0.48 0.36 0.63 1.25 -2.23 0.00 0.00 178.31 177.84 1pgg h LEU 177 N 0.21 1.04 -0.36 0.59 5.85 -0.89 -0.42 115.31 121.33 1pgg h LEU 177 Ca 0.07 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1pgg h LEU 177 Cb 0.17 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1pgg h LEU 177 CO -0.01 0.70 -0.09 0.28 -0.34 0.00 0.00 178.44 178.99 1pgg h SER 178 N 1.20 0.69 0.52 1.25 0.02 0.08 -1.81 113.55 115.50 1pgg h SER 178 Ca 0.39 -0.36 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1pgg h SER 178 Cb 0.04 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1pgg h SER 178 CO -0.13 0.90 -0.64 0.03 -1.14 0.00 0.00 176.83 175.85 1pgg h ARG 179 N 0.48 0.11 -0.01 3.45 3.08 -0.76 -1.17 114.38 119.56 1pgg h ARG 179 Ca 0.09 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1pgg h ARG 179 Cb 0.59 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.67 1pgg h ARG 179 CO 0.04 0.72 -0.51 0.00 -1.07 0.00 0.00 179.97 179.15 1pgg h ARG 180 N 0.08 0.36 -0.00 0.04 2.47 -1.04 -3.36 114.38 112.93 1pgg h ARG 180 Ca -0.01 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1pgg h ARG 180 Cb 1.15 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1pgg h ARG 180 CO 0.09 1.05 -0.12 1.19 0.56 0.00 0.00 179.97 182.74 1pgg n PHE 181 N -4.29 0.00 -0.00 3.04 3.01 -0.69 -4.78 117.46 113.75 1pgg n PHE 181 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1pgg n PHE 181 Cb 0.62 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.09 1pgg n PHE 181 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1pgg n LEU 182 N -0.61 0.00 -4.67 4.37 4.77 -0.56 0.27 117.00 120.57 1pgg n LEU 182 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1pgg n LEU 182 Cb 0.08 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1pgg n LEU 182 CO 0.06 0.00 1.56 -0.11 -1.33 0.00 0.00 177.39 177.57 1pgg n LEU 183 N -1.62 4.11 -4.66 2.23 0.00 -0.55 -1.07 117.00 115.43 1pgg n LEU 183 Ca -0.00 0.94 -0.42 0.00 0.00 0.00 0.00 56.01 56.52 1pgg n LEU 183 Cb 0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 43.42 41.98 1pgg n LEU 183 CO 0.00 0.19 1.38 -0.60 0.00 0.00 0.00 177.39 178.36 1pgg s ARG 184 N 3.79 4.18 -0.20 1.96 3.52 -0.18 -4.12 118.95 127.91 1pgg s ARG 184 Ca 0.86 2.21 -0.16 0.00 -0.13 0.00 0.00 55.73 58.52 1pgg s ARG 184 Cb -0.46 -3.99 -0.10 0.00 -1.56 0.00 0.00 34.95 28.84 1pgg s ARG 184 CO 0.41 -0.85 -0.18 0.54 -0.81 0.00 0.00 175.30 174.40 1pgg n ARG 185 N 7.15 0.53 -4.61 5.12 1.74 -1.15 -4.77 116.66 120.68 1pgg n ARG 185 Ca 0.17 0.39 -0.25 0.00 -0.77 0.00 0.00 57.85 57.40 1pgg n ARG 185 Cb 0.43 -1.59 -0.17 0.00 -1.02 0.00 0.00 32.46 30.12 1pgg n ARG 185 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1pgg s LYS 186 N -2.51 1.71 0.02 5.56 2.47 -1.26 -5.09 119.74 120.63 1pgg s LYS 186 Ca -0.28 -0.43 -0.31 0.00 -1.56 0.00 0.00 55.97 53.39 1pgg s LYS 186 Cb 0.07 -1.41 -0.10 0.00 -1.46 0.00 0.00 37.83 34.92 1pgg s LYS 186 CO 0.43 0.04 1.94 0.34 0.16 0.00 0.00 175.35 178.26 1pgg n PHE 187 N 3.75 2.49 -3.58 4.03 -0.00 -1.26 -4.88 117.46 118.01 1pgg n PHE 187 Ca -0.22 -0.28 -0.41 0.00 -0.00 0.00 0.00 57.45 56.54 1pgg n PHE 187 Cb 0.52 -2.77 -0.10 0.00 -0.00 0.00 0.00 39.48 37.13 1pgg n PHE 187 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1pgg s ILE 188 N 4.21 4.38 0.56 -2.13 1.01 -1.26 -5.07 121.20 122.89 1pgg s ILE 188 Ca 0.89 -1.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.08 1pgg s ILE 188 Cb -0.49 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 1pgg s ILE 188 CO 0.44 -0.47 1.08 -2.16 0.00 0.00 0.00 174.94 173.82 1pgg s PRO 189 N 1.47 3.41 0.02 2.79 0.04 -1.26 -0.60 135.00 140.85 1pgg s PRO 189 Ca 0.03 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1pgg s PRO 189 Cb -0.22 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 1pgg s PRO 189 CO 0.03 -0.76 1.55 0.34 0.04 0.00 0.00 177.00 178.20 1pgg s ASP 190 N -2.28 6.72 0.56 6.66 2.15 0.09 -3.99 116.67 126.58 1pgg s ASP 190 Ca 0.67 2.28 0.26 0.00 0.43 0.00 0.00 52.55 56.19 1pgg s ASP 190 Cb -0.18 -2.56 1.63 0.00 -0.30 0.00 0.00 42.92 41.51 1pgg s ASP 190 CO 0.30 -0.83 2.20 1.55 -0.17 0.00 0.00 175.17 178.22 1pgg h PRO 191 N 8.34 0.00 0.00 4.34 0.13 -1.82 -2.47 132.00 140.51 1pgg h PRO 191 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1pgg h PRO 191 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1pgg h PRO 191 CO 0.92 0.03 -0.05 1.96 -0.23 0.00 0.00 178.00 180.63 1pgg h GLN 192 N 0.00 0.00 0.00 0.86 4.20 -1.88 -3.47 115.11 114.82 1pgg h GLN 192 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pgg h GLN 192 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1pgg h GLN 192 CO 0.00 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.62 1pgg n GLY 193 N 0.12 0.63 3.57 3.46 0.00 -0.93 -4.94 105.19 107.10 1pgg n GLY 193 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 1pgg n GLY 193 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pgg n THR 194 N -1.30 1.92 -4.44 2.61 -1.04 -1.26 -0.62 114.28 110.15 1pgg n THR 194 Ca 0.00 -0.48 -0.31 0.00 -2.04 0.00 0.00 64.05 61.22 1pgg n THR 194 Cb 0.00 -0.89 -0.05 0.00 -1.82 0.00 0.00 70.33 67.57 1pgg n THR 194 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1pgg s ASN 195 N -0.56 4.32 0.43 8.00 2.20 -1.18 -1.45 114.94 126.70 1pgg s ASN 195 Ca 0.60 -1.51 0.30 0.00 -0.94 0.00 0.00 52.86 51.31 1pgg s ASN 195 Cb -0.73 0.51 1.25 0.00 -2.00 0.00 0.00 41.25 40.28 1pgg s ASN 195 CO 0.59 -0.96 1.89 -0.07 -2.94 0.00 0.00 177.10 175.61 1pgg h LEU 196 N 1.11 0.00 -0.62 3.54 3.38 -0.50 -2.35 115.31 119.88 1pgg h LEU 196 Ca -0.41 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1pgg h LEU 196 Cb 1.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1pgg h LEU 196 CO 0.68 0.00 0.27 -0.03 0.09 0.00 0.00 178.44 179.45 1pgg h MET 197 N 0.00 0.91 -0.13 1.13 4.05 -1.76 0.22 114.93 119.35 1pgg h MET 197 Ca 0.00 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.23 1pgg h MET 197 Cb 0.42 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1pgg h MET 197 CO 0.00 0.75 -0.07 0.35 0.23 0.00 0.00 176.91 178.17 1pgg h PHE 198 N 0.85 0.32 0.14 1.39 3.04 -1.68 -1.02 116.94 119.98 1pgg h PHE 198 Ca 0.21 -0.08 0.02 0.00 3.98 0.00 0.00 57.97 62.09 1pgg h PHE 198 Cb 0.16 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.55 1pgg h PHE 198 CO 0.01 0.62 -0.46 0.00 -2.02 0.00 0.00 178.31 176.45 1pgg h ALA 199 N 0.65 -0.85 -0.21 2.41 0.00 -1.11 0.33 119.26 120.49 1pgg h ALA 199 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pgg h ALA 199 Cb 0.54 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1pgg h ALA 199 CO 0.02 -1.05 0.02 0.74 0.00 0.00 0.00 179.25 178.98 1pgg h PHE 200 N -0.71 0.31 -0.11 0.00 0.04 -0.60 -0.85 116.94 115.02 1pgg h PHE 200 Ca 0.01 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1pgg h PHE 200 Cb 0.72 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1pgg h PHE 200 CO -0.39 0.31 0.06 0.35 -0.60 0.00 0.00 178.31 178.04 1pgg h PHE 201 N 0.30 0.14 -0.86 -0.55 3.04 0.19 0.26 116.94 119.47 1pgg h PHE 201 Ca 0.07 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.08 1pgg h PHE 201 Cb 0.18 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.58 1pgg h PHE 201 CO 0.00 0.16 0.53 0.00 -2.02 0.00 0.00 178.31 176.98 1pgg h ALA 202 N 0.97 1.17 -0.24 2.41 0.00 0.34 -1.60 119.26 122.32 1pgg h ALA 202 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pgg h ALA 202 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1pgg h ALA 202 CO -0.01 0.28 0.06 0.37 0.00 0.00 0.00 179.25 179.96 1pgg h GLN 203 N 0.97 0.38 0.49 0.00 4.15 -0.67 -1.86 115.11 118.57 1pgg h GLN 203 Ca 0.37 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.68 1pgg h GLN 203 Cb 0.16 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 1pgg h GLN 203 CO -0.17 0.48 -0.30 1.25 -1.93 0.00 0.00 178.83 178.16 1pgg h HIS 204 N 0.21 -0.81 -0.96 3.99 2.76 -0.42 -2.85 115.15 117.07 1pgg h HIS 204 Ca 0.08 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.43 1pgg h HIS 204 Cb 0.27 0.29 -0.11 0.00 1.55 0.00 0.00 27.41 29.40 1pgg h HIS 204 CO 0.01 -0.45 0.54 0.35 -1.30 0.00 0.00 177.93 177.08 1pgg h PHE 205 N -0.74 0.94 -0.09 5.26 3.57 -1.33 -2.17 116.94 122.38 1pgg h PHE 205 Ca -0.07 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 1pgg h PHE 205 Cb 0.59 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1pgg h PHE 205 CO -0.02 0.16 -0.50 1.79 -2.23 0.00 0.00 178.31 177.50 1pgg h THR 206 N 0.66 1.35 0.00 4.41 1.35 -1.31 -3.08 112.91 116.29 1pgg h THR 206 Ca 0.56 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1pgg h THR 206 Cb 0.92 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1pgg h THR 206 CO -0.41 0.52 0.00 1.41 -0.25 0.00 0.00 175.52 176.79 1pgg n HIS 207 N -3.95 0.00 0.17 4.73 8.25 -0.82 -1.09 115.22 122.51 1pgg n HIS 207 Ca -0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 1pgg n HIS 207 Cb 0.55 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 1pgg n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pgg n GLN 208 N -0.07 1.02 0.00 -0.41 10.64 -1.16 -4.54 117.38 122.86 1pgg n GLN 208 Ca 0.00 -0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 1pgg n GLN 208 Cb 0.20 -1.27 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 1pgg n GLN 208 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 1pgg n PHE 209 N -1.79 0.00 -3.87 2.61 1.16 -0.81 -4.62 117.46 110.14 1pgg n PHE 209 Ca -0.01 -0.25 -0.29 0.00 -1.87 0.00 0.00 57.45 55.03 1pgg n PHE 209 Cb 0.31 -0.02 -0.16 0.00 -1.61 0.00 0.00 39.48 38.00 1pgg n PHE 209 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1pgg s PHE 210 N -0.50 1.77 -0.48 2.97 0.08 -0.25 -4.79 117.98 116.78 1pgg s PHE 210 Ca 0.00 -1.26 0.06 0.00 0.12 0.00 0.00 56.93 55.85 1pgg s PHE 210 Cb 0.00 -1.33 0.25 0.00 -0.57 0.00 0.00 43.02 41.36 1pgg s PHE 210 CO 0.00 -0.67 0.92 1.17 -0.10 0.00 0.00 175.22 176.54 1pgg n LYS 211 N 4.85 0.76 -1.74 0.44 4.81 -1.26 -4.46 118.16 121.56 1pgg n LYS 211 Ca -0.11 -1.69 -0.42 0.00 -0.87 0.00 0.00 58.31 55.22 1pgg n LYS 211 Cb 0.46 -1.39 -0.03 0.00 0.02 0.00 0.00 35.03 34.09 1pgg n LYS 211 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1pgg s THR 212 N 0.65 2.31 -0.67 3.15 2.01 -1.26 -0.44 115.64 121.38 1pgg s THR 212 Ca 0.31 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.13 1pgg s THR 212 Cb 0.23 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1pgg s THR 212 CO -0.23 0.00 1.81 -0.55 -0.69 0.00 0.00 174.62 174.96 1pgg s SER 213 N 1.84 5.36 0.57 3.53 0.15 0.65 -4.81 113.70 120.99 1pgg s SER 213 Ca 0.77 0.08 0.27 0.00 0.70 0.00 0.00 55.95 57.77 1pgg s SER 213 Cb -0.47 -2.54 1.69 0.00 -1.71 0.00 0.00 66.02 62.99 1pgg s SER 213 CO 0.34 -2.36 2.23 1.23 1.20 0.00 0.00 173.24 175.87 1pgg h GLY 214 N 16.22 0.00 1.82 9.45 0.00 -1.87 0.55 103.07 129.23 1pgg h GLY 214 Ca -0.20 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 1pgg h GLY 214 CO 1.23 0.00 -0.76 0.07 0.00 0.00 0.00 176.54 177.08 1pgg h LYS 215 N 0.00 0.17 0.00 4.80 -0.00 -1.98 -3.29 116.57 116.28 1pgg h LYS 215 Ca -0.00 -0.16 -0.13 0.00 -0.00 0.00 0.00 60.65 60.36 1pgg h LYS 215 Cb 0.01 0.04 -0.02 0.00 -0.00 0.00 0.00 32.23 32.26 1pgg h LYS 215 CO 0.00 0.85 -1.50 -1.33 -0.00 0.00 0.00 179.45 177.47 1pgg n MET 216 N -3.73 0.63 0.00 0.07 2.81 -0.47 -5.09 117.12 111.34 1pgg n MET 216 Ca -0.03 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1pgg n MET 216 Cb 0.73 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1pgg n MET 216 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pgg n GLY 217 N 1.37 0.70 3.75 3.03 0.00 0.06 -4.90 105.19 109.20 1pgg n GLY 217 Ca -0.09 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.43 1pgg n GLY 217 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pgg s PRO 218 N -1.09 2.21 0.00 1.61 0.02 -1.26 -3.08 135.00 133.40 1pgg s PRO 218 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.31 1pgg s PRO 218 Cb 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1pgg s PRO 218 CO 0.00 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.38 1pgg n GLY 219 N -0.80 2.10 3.49 0.52 0.00 -1.26 -5.03 105.19 104.21 1pgg n GLY 219 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1pgg n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgg s PHE 220 N -2.32 2.79 0.14 1.61 0.08 -1.18 -0.90 117.98 118.20 1pgg s PHE 220 Ca 0.00 -0.18 0.10 0.00 0.12 0.00 0.00 56.93 56.97 1pgg s PHE 220 Cb 0.00 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1pgg s PHE 220 CO 0.00 0.17 -0.24 -0.08 -0.10 0.00 0.00 175.22 174.97 1pgg s THR 221 N -0.58 2.07 -0.69 0.64 -1.32 0.56 -0.26 115.64 116.05 1pgg s THR 221 Ca 0.08 -1.77 0.21 0.00 -1.21 0.00 0.00 61.69 59.00 1pgg s THR 221 Cb -0.11 -1.88 -0.26 0.00 -1.51 0.00 0.00 72.50 68.74 1pgg s THR 221 CO 0.01 -0.05 0.76 0.29 -2.21 0.00 0.00 174.62 173.43 1pgg n LYS 222 N 0.75 0.27 -1.86 7.08 5.02 0.42 -4.61 118.16 125.22 1pgg n LYS 222 Ca -0.17 -0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.66 1pgg n LYS 222 Cb 0.54 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.05 1pgg n LYS 222 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pgg n ALA 223 N -1.73 6.75 -1.86 7.82 0.00 -1.26 -4.95 120.51 125.29 1pgg n ALA 223 Ca 0.02 -3.97 -0.41 0.00 0.00 0.00 0.00 53.44 49.07 1pgg n ALA 223 Cb 0.40 -2.99 -0.02 0.00 0.00 0.00 0.00 19.45 16.84 1pgg n ALA 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pgg s LEU 224 N -1.10 4.38 0.00 0.00 1.43 -1.26 -1.47 118.68 120.66 1pgg s LEU 224 Ca 0.56 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 56.37 1pgg s LEU 224 Cb 0.17 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1pgg s LEU 224 CO -0.07 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.38 1pgg n GLY 225 N 2.21 4.35 4.17 -3.19 0.00 -1.26 -4.93 105.19 106.54 1pgg n GLY 225 Ca 0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1pgg n GLY 225 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pgg n HIS 226 N 0.00 -1.45 -3.65 1.61 8.25 -0.54 -4.78 115.22 114.67 1pgg n HIS 226 Ca 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1pgg n HIS 226 Cb 0.00 -3.16 0.00 0.00 1.12 0.00 0.00 29.99 27.95 1pgg n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pgg n GLY 227 N -2.17 -0.78 2.99 -1.41 0.00 -1.26 -4.28 105.19 98.28 1pgg n GLY 227 Ca -0.27 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1pgg n GLY 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pgg n VAL 228 N 5.82 2.72 1.14 1.61 0.31 -1.26 -4.46 118.33 124.20 1pgg n VAL 228 Ca 0.00 -2.44 0.12 0.00 -0.01 0.00 0.00 64.34 62.02 1pgg n VAL 228 Cb 0.00 -2.45 0.20 0.00 -0.91 0.00 0.00 33.84 30.68 1pgg n VAL 228 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1pgg n ASP 229 N 7.29 2.32 -2.31 4.52 5.75 -1.26 -4.94 116.55 127.93 1pgg n ASP 229 Ca 0.50 -1.71 -0.19 0.00 -0.01 0.00 0.00 54.79 53.38 1pgg n ASP 229 Cb 0.40 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1pgg n ASP 229 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pgg n LEU 230 N 0.67 -2.03 0.00 -2.12 4.32 -1.26 -4.87 117.00 111.71 1pgg n LEU 230 Ca 0.14 -0.07 0.09 0.00 -0.02 0.00 0.00 56.01 56.15 1pgg n LEU 230 Cb 0.50 -2.74 0.40 0.00 -1.62 0.00 0.00 43.42 39.95 1pgg n LEU 230 CO 0.19 -0.11 0.79 0.61 -1.22 0.00 0.00 177.39 177.65 1pgg n GLY 231 N -1.12 -1.12 0.03 -0.72 0.00 -1.26 -0.67 105.19 100.33 1pgg n GLY 231 Ca -0.20 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 45.90 1pgg n GLY 231 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1pgg n HIS 232 N -1.49 0.00 -0.10 1.61 1.44 -1.26 -1.18 115.22 114.23 1pgg n HIS 232 Ca 0.05 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.54 1pgg n HIS 232 Cb 0.21 -0.26 -0.08 0.00 0.12 0.00 0.00 29.99 29.98 1pgg n HIS 232 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1pgg n ILE 233 N -1.21 1.15 0.97 0.61 5.41 0.15 -3.42 119.36 123.02 1pgg n ILE 233 Ca 0.14 -0.32 0.11 0.00 1.00 0.00 0.00 62.75 63.69 1pgg n ILE 233 Cb 0.25 -1.70 0.14 0.00 -0.71 0.00 0.00 39.64 37.63 1pgg n ILE 233 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1pgg n TYR 234 N -3.81 0.03 0.00 1.39 4.01 -0.99 -4.46 117.16 113.32 1pgg n TYR 234 Ca -0.41 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 1pgg n TYR 234 Cb 0.81 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1pgg n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pgg n GLY 235 N 1.49 2.68 1.12 2.72 0.00 -0.33 -3.36 105.19 109.51 1pgg n GLY 235 Ca 0.05 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.33 1pgg n GLY 235 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pgg n ASP 236 N 0.00 3.24 -3.60 1.61 5.75 -1.24 -4.61 116.55 117.69 1pgg n ASP 236 Ca 0.00 -2.31 -0.10 0.00 -0.01 0.00 0.00 54.79 52.37 1pgg n ASP 236 Cb 0.00 -0.47 -0.06 0.00 -1.03 0.00 0.00 41.12 39.55 1pgg n ASP 236 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pgg s ASN 237 N -0.71 -0.42 0.21 -1.12 4.22 -1.26 -4.89 114.94 110.97 1pgg s ASN 237 Ca 0.32 0.65 -0.20 0.00 -2.14 0.00 0.00 52.86 51.48 1pgg s ASN 237 Cb 0.21 0.60 0.17 0.00 1.28 0.00 0.00 41.25 43.51 1pgg s ASN 237 CO 0.15 -0.26 1.55 0.25 -2.04 0.00 0.00 177.10 176.75 1pgg h LEU 238 N 3.39 -1.54 -0.62 3.54 6.46 -1.93 0.03 115.31 124.63 1pgg h LEU 238 Ca -0.24 0.31 0.12 0.00 -0.12 0.00 0.00 57.88 57.95 1pgg h LEU 238 Cb 1.17 0.78 -0.12 0.00 -0.73 0.00 0.00 40.66 41.75 1pgg h LEU 238 CO 0.21 -0.28 -0.23 -0.33 -0.62 0.00 0.00 178.44 177.19 1pgg h GLU 239 N -0.03 -0.07 -0.36 1.25 3.07 -1.98 -0.23 114.58 116.24 1pgg h GLU 239 Ca 0.30 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.06 1pgg h GLU 239 Cb 0.56 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1pgg h GLU 239 CO -0.94 -0.04 -0.19 -0.09 -1.40 0.00 0.00 179.01 176.34 1pgg h ARG 240 N -0.07 0.67 -0.24 2.33 2.43 -1.37 -2.17 114.38 115.97 1pgg h ARG 240 Ca 0.28 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1pgg h ARG 240 Cb 0.51 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1pgg h ARG 240 CO -0.67 0.82 0.08 0.37 -1.51 0.00 0.00 179.97 179.05 1pgg h GLN 241 N 0.60 0.38 0.00 0.20 4.15 -0.39 -2.12 115.11 117.93 1pgg h GLN 241 Ca 0.09 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1pgg h GLN 241 Cb 0.66 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 1pgg h GLN 241 CO 0.05 0.45 -0.00 1.88 -1.93 0.00 0.00 178.83 179.28 1pgg h TYR 242 N 0.23 0.00 0.14 3.99 -1.99 -0.59 0.20 116.97 118.95 1pgg h TYR 242 Ca 0.08 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.51 1pgg h TYR 242 Cb 0.23 0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.99 1pgg h TYR 242 CO 0.00 0.00 -1.26 0.37 -0.00 0.00 0.00 178.16 177.27 1pgg h GLN 243 N 0.00 0.60 0.00 4.88 5.75 -0.83 -3.26 115.11 122.25 1pgg h GLN 243 Ca -0.00 -0.84 0.00 0.00 -0.15 0.00 0.00 58.65 57.66 1pgg h GLN 243 Cb 0.00 0.28 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1pgg h GLN 243 CO 0.00 1.39 0.00 1.28 -2.65 0.00 0.00 178.83 178.85 1pgg n LEU 244 N -3.80 0.74 -4.80 -2.39 4.32 -0.14 -4.67 117.00 106.27 1pgg n LEU 244 Ca -0.14 0.57 -0.38 0.00 -0.02 0.00 0.00 56.01 56.04 1pgg n LEU 244 Cb 1.00 -0.34 -0.06 0.00 -1.62 0.00 0.00 43.42 42.39 1pgg n LEU 244 CO 0.58 -0.18 0.41 -0.13 -1.22 0.00 0.00 177.39 176.85 1pgg s ARG 245 N -3.10 4.39 0.22 3.23 0.52 -0.13 -1.04 118.95 123.04 1pgg s ARG 245 Ca 0.11 0.98 0.09 0.00 -0.52 0.00 0.00 55.73 56.38 1pgg s ARG 245 Cb 0.13 -3.16 0.16 0.00 0.52 0.00 0.00 34.95 32.60 1pgg s ARG 245 CO 0.58 0.54 1.50 1.25 0.02 0.00 0.00 175.30 179.19 1pgg h LEU 246 N 4.14 0.01 1.66 2.53 6.46 -1.28 -3.42 115.31 125.42 1pgg h LEU 246 Ca -0.48 -0.01 -0.32 0.00 -0.12 0.00 0.00 57.88 56.95 1pgg h LEU 246 Cb 1.20 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.14 1pgg h LEU 246 CO 0.65 0.76 -0.43 0.49 -0.62 0.00 0.00 178.44 179.29 1pgg n PHE 247 N -3.66 -1.04 -3.67 1.25 3.72 -1.24 -4.98 117.46 107.84 1pgg n PHE 247 Ca -0.01 0.15 -0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1pgg n PHE 247 Cb 0.72 -3.44 -0.12 0.00 -0.94 0.00 0.00 39.48 35.71 1pgg n PHE 247 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1pgg s LYS 248 N -5.03 0.23 -0.70 -1.08 2.20 -1.26 -4.89 119.74 109.20 1pgg s LYS 248 Ca 0.09 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 1pgg s LYS 248 Cb -0.04 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1pgg s LYS 248 CO 0.11 -0.24 0.00 -0.25 -0.36 0.00 0.00 175.35 174.60 1pgg n ASP 249 N 5.07 -5.25 0.00 1.43 9.92 -1.26 -0.72 116.55 125.75 1pgg n ASP 249 Ca -0.12 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1pgg n ASP 249 Cb 0.51 -3.63 0.00 0.00 -0.64 0.00 0.00 41.12 37.35 1pgg n ASP 249 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pgg n GLY 250 N 0.46 0.87 3.77 0.44 0.00 -1.26 -4.69 105.19 104.78 1pgg n GLY 250 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1pgg n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pgg s LYS 251 N -0.24 3.19 -0.01 1.61 3.01 0.10 -4.22 119.74 123.17 1pgg s LYS 251 Ca 0.00 1.56 -0.11 0.00 -1.01 0.00 0.00 55.97 56.41 1pgg s LYS 251 Cb 0.00 -1.99 -0.05 0.00 -1.01 0.00 0.00 37.83 34.78 1pgg s LYS 251 CO 0.00 -0.97 0.32 -1.17 0.51 0.00 0.00 175.35 174.04 1pgg s LEU 252 N -4.11 4.42 1.28 3.17 2.96 -1.26 -0.92 118.68 124.21 1pgg s LEU 252 Ca 0.71 0.75 -0.16 0.00 -0.22 0.00 0.00 54.13 55.22 1pgg s LEU 252 Cb -0.23 -2.55 0.33 0.00 0.50 0.00 0.00 46.19 44.24 1pgg s LEU 252 CO 0.31 0.31 0.98 -0.54 -1.32 0.00 0.00 176.35 176.09 1pgg s LYS 253 N -1.32 -1.80 0.00 1.98 1.02 -0.21 -4.58 119.74 114.83 1pgg s LYS 253 Ca 0.24 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.87 1pgg s LYS 253 Cb -0.15 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 1pgg s LYS 253 CO 0.12 -4.26 0.00 2.48 -0.92 0.00 0.00 175.35 172.78 1pgg n TYR 254 N -5.27 0.00 -3.93 3.18 0.18 -1.26 -4.42 117.16 105.64 1pgg n TYR 254 Ca 0.05 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.74 1pgg n TYR 254 Cb 0.56 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.43 1pgg n TYR 254 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1pgg s GLN 255 N -1.75 0.68 -0.16 -3.48 -2.07 0.69 -4.57 119.66 109.00 1pgg s GLN 255 Ca 0.00 -0.89 -0.04 0.00 -1.82 0.00 0.00 55.36 52.60 1pgg s GLN 255 Cb 0.00 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.15 1pgg s GLN 255 CO 0.00 -0.18 -0.02 -1.64 -1.32 0.00 0.00 175.29 172.14 1pgg s MET 256 N -3.22 3.73 -0.03 9.60 -1.94 -1.26 -0.13 119.30 126.05 1pgg s MET 256 Ca 0.00 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 1pgg s MET 256 Cb 0.02 -2.98 0.03 0.00 2.01 0.00 0.00 34.83 33.91 1pgg s MET 256 CO -0.07 0.23 0.01 -0.51 -0.01 0.00 0.00 175.02 174.66 1pgg s LEU 257 N 0.40 1.19 -1.42 -0.03 1.43 0.29 -4.79 118.68 115.76 1pgg s LEU 257 Ca -0.02 -0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1pgg s LEU 257 Cb -0.14 -0.18 0.02 0.00 0.03 0.00 0.00 46.19 45.92 1pgg s LEU 257 CO 0.02 -0.10 0.34 0.59 0.23 0.00 0.00 176.35 177.44 1pgg n ASN 258 N 4.08 -5.02 -0.17 2.29 3.02 -1.26 -0.11 115.26 118.10 1pgg n ASN 258 Ca -0.27 -0.16 -0.02 0.00 -0.03 0.00 0.00 54.58 54.10 1pgg n ASN 258 Cb 0.51 -4.14 -0.01 0.00 -0.61 0.00 0.00 39.78 35.53 1pgg n ASN 258 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pgg n GLY 259 N -1.20 0.45 3.41 7.41 0.00 -1.26 -4.99 105.19 109.01 1pgg n GLY 259 Ca -0.12 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1pgg n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pgg s GLU 260 N -1.36 1.49 -0.14 1.61 0.41 0.85 -5.08 118.70 116.47 1pgg s GLU 260 Ca 0.00 -1.37 -0.26 0.00 -0.41 0.00 0.00 54.97 52.93 1pgg s GLU 260 Cb 0.00 -1.92 -0.02 0.00 -1.78 0.00 0.00 34.13 30.41 1pgg s GLU 260 CO 0.00 0.44 0.84 0.08 -0.49 0.00 0.00 175.26 176.13 1pgg s VAL 261 N -1.24 4.89 0.06 2.63 1.01 -1.26 -0.54 120.40 125.95 1pgg s VAL 261 Ca 0.16 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1pgg s VAL 261 Cb -0.10 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1pgg s VAL 261 CO 0.08 0.05 -0.04 -0.31 0.00 0.00 0.00 175.10 174.88 1pgg s TYR 262 N 1.95 0.63 0.47 5.22 2.02 0.81 -4.94 117.35 123.51 1pgg s TYR 262 Ca 0.40 -0.96 -0.22 0.00 -0.37 0.00 0.00 57.07 55.92 1pgg s TYR 262 Cb -0.17 -0.42 -0.10 0.00 -0.40 0.00 0.00 41.96 40.87 1pgg s TYR 262 CO 0.14 -0.28 0.77 -2.30 -1.57 0.00 0.00 175.55 172.31 1pgg n PRO 263 N 0.21 0.89 -0.79 -1.71 -0.02 -1.26 -0.22 135.00 132.10 1pgg n PRO 263 Ca -0.14 0.33 -0.28 0.00 -2.02 0.00 0.00 63.50 61.38 1pgg n PRO 263 Cb 0.60 -1.83 0.23 0.00 -0.02 0.00 0.00 33.50 32.48 1pgg n PRO 263 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1pgg s PRO 264 N -2.00 -0.58 0.39 0.52 0.04 -1.26 -4.25 135.00 127.86 1pgg s PRO 264 Ca 0.66 0.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.28 1pgg s PRO 264 Cb -0.53 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1pgg s PRO 264 CO 0.55 -3.45 0.69 -1.54 0.04 0.00 0.00 177.00 173.30 1pgg s SER 265 N -2.92 6.39 0.62 6.66 1.04 -1.26 -0.95 113.70 123.26 1pgg s SER 265 Ca 0.67 0.86 0.41 0.00 0.48 0.00 0.00 55.95 58.38 1pgg s SER 265 Cb -0.22 -2.21 2.24 0.00 0.10 0.00 0.00 66.02 65.93 1pgg s SER 265 CO 0.62 -0.39 2.27 0.58 0.98 0.00 0.00 173.24 177.29 1pgg h VAL 266 N 0.83 0.00 -0.31 5.02 2.07 -1.21 -0.45 116.25 122.21 1pgg h VAL 266 Ca -0.48 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1pgg h VAL 266 Cb 1.20 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1pgg h VAL 266 CO 0.63 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.89 1pgg h GLU 267 N 0.00 0.72 -0.01 1.57 4.81 -1.85 -2.20 114.58 117.62 1pgg h GLU 267 Ca 0.00 -0.36 -0.20 0.00 -0.13 0.00 0.00 59.36 58.67 1pgg h GLU 267 Cb 0.01 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.41 1pgg h GLU 267 CO 0.00 0.98 -0.79 0.93 -0.73 0.00 0.00 179.01 179.39 1pgg h GLU 268 N 0.47 0.55 -2.88 1.92 4.39 -1.58 -3.38 114.58 114.06 1pgg h GLU 268 Ca 0.06 -0.58 -0.61 0.00 0.34 0.00 0.00 59.36 58.56 1pgg h GLU 268 Cb 0.82 0.16 -0.42 0.00 -0.10 0.00 0.00 28.75 29.22 1pgg h GLU 268 CO 0.07 1.20 -0.60 0.00 -1.16 0.00 0.00 179.01 178.51 1pgg n ALA 269 N -2.61 3.49 -1.03 3.43 0.00 -0.31 -5.01 120.51 118.47 1pgg n ALA 269 Ca -0.11 -4.48 -0.26 0.00 0.00 0.00 0.00 53.44 48.59 1pgg n ALA 269 Cb 0.76 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 19.12 1pgg n ALA 269 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pgg n PRO 270 N 1.81 0.04 -4.32 0.00 -0.04 -0.83 -4.44 135.00 127.22 1pgg n PRO 270 Ca 0.22 -1.19 -0.28 0.00 -0.04 0.00 0.00 63.50 62.21 1pgg n PRO 270 Cb 0.37 -2.96 -0.11 0.00 -0.04 0.00 0.00 33.50 30.77 1pgg n PRO 270 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pgg s VAL 271 N 10.94 2.86 -0.03 0.52 0.11 -1.26 -5.05 120.40 128.48 1pgg s VAL 271 Ca 0.66 -1.66 -0.30 0.00 -2.93 0.00 0.00 61.98 57.75 1pgg s VAL 271 Cb 0.05 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 1pgg s VAL 271 CO 0.24 -0.02 1.26 -0.22 -3.33 0.00 0.00 175.10 173.04 1pgg s LEU 272 N -2.49 4.29 0.12 2.54 1.98 -1.26 -4.96 118.68 118.91 1pgg s LEU 272 Ca 0.21 1.92 0.05 0.00 -2.89 0.00 0.00 54.13 53.42 1pgg s LEU 272 Cb -0.09 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.16 1pgg s LEU 272 CO 0.12 -0.62 -0.13 -0.04 -1.89 0.00 0.00 176.35 173.79 1pgg s MET 273 N 2.24 1.00 -0.66 1.98 -1.94 -1.26 -4.49 119.30 116.16 1pgg s MET 273 Ca 0.58 -1.26 -0.11 0.00 -1.71 0.00 0.00 55.69 53.19 1pgg s MET 273 Cb -0.27 -0.79 0.17 0.00 2.01 0.00 0.00 34.83 35.95 1pgg s MET 273 CO 0.24 0.14 0.56 -1.01 -0.01 0.00 0.00 175.02 174.94 1pgg s HIS 274 N -2.40 3.53 0.05 -0.03 3.76 -0.38 -5.03 115.29 114.80 1pgg s HIS 274 Ca 0.10 -1.99 0.09 0.00 -0.15 0.00 0.00 55.06 53.10 1pgg s HIS 274 Cb -0.03 -3.62 -0.03 0.00 1.11 0.00 0.00 32.58 30.01 1pgg s HIS 274 CO 0.02 -0.97 -0.24 0.71 -0.85 0.00 0.00 174.74 173.41 1pgg s TYR 275 N 0.63 2.12 0.54 1.40 2.02 -1.26 -4.61 117.35 118.19 1pgg s TYR 275 Ca 0.12 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.21 1pgg s TYR 275 Cb -0.19 -1.26 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 1pgg s TYR 275 CO -0.04 0.12 1.35 -0.35 -1.57 0.00 0.00 175.55 175.07 1pgg n PRO 276 N 1.76 1.72 -1.62 -1.71 -0.04 -1.26 -4.88 135.00 128.97 1pgg n PRO 276 Ca -0.17 0.63 -0.46 0.00 -0.04 0.00 0.00 63.50 63.46 1pgg n PRO 276 Cb 0.52 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 1pgg n PRO 276 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pgg n ARG 277 N -0.92 1.53 0.00 0.54 5.12 -1.26 -2.52 116.66 119.16 1pgg n ARG 277 Ca 0.10 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 1pgg n ARG 277 Cb 0.44 -2.08 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 1pgg n ARG 277 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pgg n GLY 278 N 1.90 0.74 3.68 -0.13 0.00 -1.26 -5.07 105.19 105.05 1pgg n GLY 278 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1pgg n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgg s ILE 279 N -2.00 5.35 0.49 -0.61 1.01 -1.05 -5.08 121.20 119.32 1pgg s ILE 279 Ca 0.00 0.28 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 1pgg s ILE 279 Cb 0.00 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.86 1pgg s ILE 279 CO 0.00 0.36 1.01 -2.16 0.00 0.00 0.00 174.94 174.15 1pgg s PRO 280 N 0.89 3.86 0.26 2.79 0.04 -1.26 -4.96 135.00 136.63 1pgg s PRO 280 Ca 0.10 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 1pgg s PRO 280 Cb -0.13 -2.11 0.57 0.00 0.04 0.00 0.00 34.50 32.87 1pgg s PRO 280 CO 0.03 -0.36 1.71 -1.35 0.04 0.00 0.00 177.00 177.07 1pgg h PRO 281 N 1.34 0.39 0.00 0.56 0.11 -1.97 0.36 132.00 132.80 1pgg h PRO 281 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1pgg h PRO 281 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pgg h PRO 281 CO 0.60 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 1pgg n GLN 282 N -5.04 0.17 0.00 1.05 0.00 -1.26 -0.84 117.38 111.46 1pgg n GLN 282 Ca 0.18 0.07 0.00 0.00 0.00 0.00 0.00 57.00 57.24 1pgg n GLN 282 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.26 1pgg n GLN 282 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1pgg n SER 283 N -1.09 1.20 -4.61 2.61 7.64 0.13 -4.97 113.62 114.53 1pgg n SER 283 Ca 0.04 -1.21 -0.34 0.00 1.01 0.00 0.00 58.87 58.37 1pgg n SER 283 Cb 0.03 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.12 1pgg n SER 283 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pgg s GLN 284 N -0.21 3.07 -0.19 1.43 -0.21 -0.02 -4.94 119.66 118.60 1pgg s GLN 284 Ca 0.00 -0.48 -0.11 0.00 0.02 0.00 0.00 55.36 54.80 1pgg s GLN 284 Cb 0.00 -2.76 -0.05 0.00 1.00 0.00 0.00 33.01 31.20 1pgg s GLN 284 CO 0.00 0.58 0.16 -1.64 -2.12 0.00 0.00 175.29 172.27 1pgg s MET 285 N -0.56 4.17 -0.06 2.91 -1.94 -1.26 -1.38 119.30 121.17 1pgg s MET 285 Ca 0.09 -0.16 -0.25 0.00 -1.71 0.00 0.00 55.69 53.66 1pgg s MET 285 Cb -0.12 -3.41 -0.03 0.00 2.01 0.00 0.00 34.83 33.28 1pgg s MET 285 CO 0.02 0.31 0.77 0.00 -0.01 0.00 0.00 175.02 176.11 1pgg s ALA 286 N 0.32 3.31 0.00 3.03 0.00 -0.13 -4.81 121.76 123.48 1pgg s ALA 286 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1pgg s ALA 286 Cb -0.11 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1pgg s ALA 286 CO -0.01 -0.17 0.00 1.33 0.00 0.00 0.00 175.76 176.91 1pgg n VAL 287 N 3.88 0.00 0.00 0.00 0.24 -1.26 -4.29 118.33 116.90 1pgg n VAL 287 Ca 0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1pgg n VAL 287 Cb 0.51 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 1pgg n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pgg n GLY 288 N 0.14 3.54 3.23 7.63 0.00 -1.26 -4.47 105.19 114.00 1pgg n GLY 288 Ca 0.00 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 1pgg n GLY 288 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pgg s GLN 289 N 0.00 2.51 0.47 1.61 -0.44 -1.22 -4.21 119.66 118.38 1pgg s GLN 289 Ca 0.00 -1.67 0.29 0.00 -2.50 0.00 0.00 55.36 51.48 1pgg s GLN 289 Cb 0.00 -3.88 1.37 0.00 -1.64 0.00 0.00 33.01 28.86 1pgg s GLN 289 CO 0.00 -1.12 1.76 0.93 0.50 0.00 0.00 175.29 177.36 1pgg h GLU 290 N 8.43 0.16 0.00 1.67 3.07 -1.94 -0.89 114.58 125.08 1pgg h GLU 290 Ca -0.22 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.59 1pgg h GLU 290 Cb 1.08 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1pgg h GLU 290 CO 0.83 0.11 -0.20 -0.24 -1.40 0.00 0.00 179.01 178.11 1pgg h VAL 291 N 0.17 0.38 0.00 3.13 3.04 -1.91 -0.99 116.25 120.06 1pgg h VAL 291 Ca 0.63 -1.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 1pgg h VAL 291 Cb 2.07 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 33.36 1pgg h VAL 291 CO -0.18 0.19 0.09 0.49 -1.01 0.00 0.00 177.57 177.16 1pgg n PHE 292 N -3.20 0.19 0.96 3.17 3.01 -0.34 -2.56 117.46 118.70 1pgg n PHE 292 Ca 0.02 0.10 0.10 0.00 1.01 0.00 0.00 57.45 58.68 1pgg n PHE 292 Cb 0.54 -0.58 0.52 0.00 -0.01 0.00 0.00 39.48 39.95 1pgg n PHE 292 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pgg n GLY 293 N -1.38 -1.02 2.64 1.37 0.00 -1.26 -3.68 105.19 101.86 1pgg n GLY 293 Ca -0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1pgg n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pgg n LEU 294 N -1.32 7.18 0.00 0.99 4.77 -1.06 -4.76 117.00 122.80 1pgg n LEU 294 Ca 0.09 -4.70 0.00 0.00 -0.03 0.00 0.00 56.01 51.37 1pgg n LEU 294 Cb 0.18 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1pgg n LEU 294 CO 0.17 1.74 0.00 0.18 -1.33 0.00 0.00 177.39 178.14 1pgg n LEU 295 N -0.66 0.00 -0.34 2.23 4.77 -1.19 -4.65 117.00 117.15 1pgg n LEU 295 Ca 0.55 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.72 1pgg n LEU 295 Cb 0.45 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.96 1pgg n LEU 295 CO 0.58 0.00 1.17 -0.65 -1.33 0.00 0.00 177.39 177.16 1pgg h PRO 296 N 0.00 0.50 -0.58 3.23 0.11 -1.85 0.40 132.00 133.81 1pgg h PRO 296 Ca 0.00 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.15 1pgg h PRO 296 Cb 0.00 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 30.94 1pgg h PRO 296 CO 0.00 0.33 0.26 0.78 -0.21 0.00 0.00 178.00 179.16 1pgg h GLY 297 N 0.51 0.83 0.85 -0.55 0.00 -1.96 0.57 103.07 103.32 1pgg h GLY 297 Ca 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.80 1pgg h GLY 297 CO -0.46 0.04 -0.24 1.41 0.00 0.00 0.00 176.54 177.30 1pgg h LEU 298 N 0.47 -0.56 -0.68 3.11 4.07 -1.23 -1.95 115.31 118.54 1pgg h LEU 298 Ca 0.28 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1pgg h LEU 298 Cb 0.28 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1pgg h LEU 298 CO -0.24 -0.29 0.00 0.80 -1.08 0.00 0.00 178.44 177.63 1pgg n MET 299 N -5.31 0.11 0.01 1.13 1.56 -0.83 -1.44 117.12 112.34 1pgg n MET 299 Ca -0.11 0.47 -0.10 0.00 -0.27 0.00 0.00 57.70 57.69 1pgg n MET 299 Cb 0.30 -1.77 -0.08 0.00 2.15 0.00 0.00 33.22 33.82 1pgg n MET 299 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1pgg h LEU 300 N 0.00 -0.10 -1.27 -0.89 7.12 0.85 -2.89 115.31 118.12 1pgg h LEU 300 Ca 0.00 -0.47 -0.05 0.00 0.13 0.00 0.00 57.88 57.49 1pgg h LEU 300 Cb 0.17 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 1pgg h LEU 300 CO 0.00 0.55 -0.03 1.88 -0.13 0.00 0.00 178.44 180.70 1pgg h TYR 301 N -0.89 0.47 -0.27 1.25 0.05 -0.82 -1.47 116.97 115.29 1pgg h TYR 301 Ca -0.01 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 1pgg h TYR 301 Cb 0.57 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 1pgg h TYR 301 CO 0.12 0.49 0.07 0.00 -1.05 0.00 0.00 178.16 177.79 1pgg h ALA 302 N 1.54 1.62 -0.14 3.88 0.00 -1.29 -1.89 119.26 122.99 1pgg h ALA 302 Ca 0.09 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1pgg h ALA 302 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pgg h ALA 302 CO 0.01 0.29 -0.42 1.15 0.00 0.00 0.00 179.25 180.28 1pgg h THR 303 N 0.38 1.36 -0.51 0.00 2.02 -1.07 -1.35 112.91 113.74 1pgg h THR 303 Ca 0.09 -1.71 0.02 0.00 0.77 0.00 0.00 66.41 65.58 1pgg h THR 303 Cb 0.15 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1pgg h THR 303 CO -0.00 0.52 0.31 0.40 0.37 0.00 0.00 175.52 177.12 1pgg h ILE 304 N 0.14 1.08 -0.28 3.11 2.04 -0.94 -0.81 117.51 121.86 1pgg h ILE 304 Ca -0.01 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 1pgg h ILE 304 Cb 1.04 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1pgg h ILE 304 CO 0.09 0.12 -0.27 -0.50 0.00 0.00 0.00 178.15 177.59 1pgg h TRP 305 N 0.63 0.80 -0.38 1.37 4.06 -1.33 -0.06 115.95 121.04 1pgg h TRP 305 Ca 0.20 -0.24 0.06 0.00 2.06 0.00 0.00 58.89 60.97 1pgg h TRP 305 Cb -0.02 -0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 27.92 1pgg h TRP 305 CO -0.06 0.97 0.06 1.25 -3.56 0.00 0.00 178.44 177.11 1pgg h LEU 306 N 0.40 -0.02 -0.17 -4.49 6.46 -1.01 0.18 115.31 116.66 1pgg h LEU 306 Ca 0.04 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1pgg h LEU 306 Cb 0.83 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.81 1pgg h LEU 306 CO 0.07 0.03 -0.18 0.03 -0.62 0.00 0.00 178.44 177.76 1pgg h ARG 307 N 0.18 -0.20 -0.97 1.25 3.08 -0.93 -2.20 114.38 114.59 1pgg h ARG 307 Ca 0.18 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.35 1pgg h ARG 307 Cb 0.23 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.24 1pgg h ARG 307 CO -0.25 -0.14 0.61 1.49 -1.07 0.00 0.00 179.97 180.61 1pgg h GLU 308 N -0.21 0.97 -0.22 0.04 4.57 0.28 -1.19 114.58 118.82 1pgg h GLU 308 Ca 0.11 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1pgg h GLU 308 Cb 0.38 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1pgg h GLU 308 CO -0.29 0.64 0.06 1.25 -1.18 0.00 0.00 179.01 179.49 1pgg h HIS 309 N 1.00 0.37 -0.03 0.92 2.76 -0.12 -1.88 115.15 118.16 1pgg h HIS 309 Ca 0.46 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.53 1pgg h HIS 309 Cb 0.39 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1pgg h HIS 309 CO -0.01 0.44 -0.26 -0.91 -1.30 0.00 0.00 177.93 175.89 1pgg h ASN 310 N 0.18 0.05 -0.42 3.26 4.21 -0.88 -2.06 115.58 119.92 1pgg h ASN 310 Ca 0.07 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.49 1pgg h ASN 310 Cb 0.26 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 1pgg h ASN 310 CO -0.00 0.31 -0.03 -0.09 -1.29 0.00 0.00 177.43 176.33 1pgg h ARG 311 N 0.05 0.77 -0.12 0.81 2.43 -0.91 -2.39 114.38 115.01 1pgg h ARG 311 Ca 0.01 -0.26 -0.12 0.00 -0.81 0.00 0.00 59.98 58.80 1pgg h ARG 311 Cb 0.49 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1pgg h ARG 311 CO 0.04 0.86 -0.44 0.28 -1.51 0.00 0.00 179.97 179.19 1pgg h VAL 312 N 0.60 1.32 -0.53 0.20 2.07 -1.11 -2.75 116.25 116.05 1pgg h VAL 312 Ca 0.12 -1.60 0.05 0.00 0.82 0.00 0.00 66.70 66.08 1pgg h VAL 312 Cb 0.53 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1pgg h VAL 312 CO 0.03 0.48 0.26 0.00 0.02 0.00 0.00 177.57 178.36 1pgg h ASP 314 N 0.51 0.12 -0.86 0.00 3.32 -1.20 -0.34 116.42 117.97 1pgg h ASP 314 Ca 0.24 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.44 1pgg h ASP 314 Cb 0.15 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1pgg h ASP 314 CO -0.17 0.09 0.56 -0.07 -1.72 0.00 0.00 179.24 177.93 1pgg h LEU 315 N 0.16 0.55 0.13 1.55 3.38 -1.10 -2.15 115.31 117.83 1pgg h LEU 315 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1pgg h LEU 315 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1pgg h LEU 315 CO -0.03 0.27 -0.06 -0.07 0.09 0.00 0.00 178.44 178.63 1pgg h LEU 316 N 0.57 -0.15 -0.93 1.67 4.07 0.07 -3.21 115.31 117.40 1pgg h LEU 316 Ca 0.43 -0.40 0.19 0.00 0.08 0.00 0.00 57.88 58.19 1pgg h LEU 316 Cb 0.83 0.04 -0.11 0.00 1.08 0.00 0.00 40.66 42.50 1pgg h LEU 316 CO -0.18 0.43 0.50 0.50 -1.08 0.00 0.00 178.44 178.61 1pgg h LYS 317 N -0.86 0.60 -0.91 1.13 1.63 -0.75 0.18 116.57 117.59 1pgg h LYS 317 Ca -0.02 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.81 1pgg h LYS 317 Cb 0.54 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.97 1pgg h LYS 317 CO 0.03 0.40 0.57 0.00 -3.45 0.00 0.00 179.45 177.00 1pgg h ALA 318 N 1.64 1.26 0.05 5.00 0.00 -1.49 -1.46 119.26 124.27 1pgg h ALA 318 Ca 0.54 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.21 1pgg h ALA 318 Cb 0.89 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1pgg h ALA 318 CO -0.42 0.32 -1.06 1.49 0.00 0.00 0.00 179.25 179.59 1pgg h GLU 319 N 1.03 0.23 -2.22 0.00 4.57 -0.78 -3.40 114.58 114.02 1pgg h GLU 319 Ca 0.40 -0.33 -0.59 0.00 -1.18 0.00 0.00 59.36 57.67 1pgg h GLU 319 Cb 0.19 0.11 -0.40 0.00 -0.16 0.00 0.00 28.75 28.49 1pgg h GLU 319 CO -0.18 1.09 -0.83 0.72 -1.18 0.00 0.00 179.01 178.63 1pgg n HIS 320 N -3.58 1.58 0.15 0.92 8.25 0.24 -4.92 115.22 117.86 1pgg n HIS 320 Ca -0.06 -3.85 0.19 0.00 -0.26 0.00 0.00 57.72 53.74 1pgg n HIS 320 Cb 0.92 -0.40 0.79 0.00 1.12 0.00 0.00 29.99 32.41 1pgg n HIS 320 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1pgg h PRO 321 N 4.36 0.00 0.00 -0.41 0.13 -1.57 -0.43 132.00 134.07 1pgg h PRO 321 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1pgg h PRO 321 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1pgg h PRO 321 CO 0.63 0.00 -0.05 1.79 -0.23 0.00 0.00 178.00 180.15 1pgg h THR 322 N 0.00 0.10 -4.30 1.56 1.35 -1.91 -3.46 112.91 106.25 1pgg h THR 322 Ca 0.14 -0.76 -0.51 0.00 -0.55 0.00 0.00 66.41 64.73 1pgg h THR 322 Cb 0.76 1.69 0.12 0.00 -1.73 0.00 0.00 68.15 68.99 1pgg h THR 322 CO -0.00 0.04 0.33 0.26 -0.25 0.00 0.00 175.52 175.91 1pgg s TRP 323 N -3.54 2.67 0.10 4.73 0.52 -0.17 -5.07 118.94 118.18 1pgg s TRP 323 Ca 0.03 1.53 0.01 0.00 0.02 0.00 0.00 56.10 57.69 1pgg s TRP 323 Cb 0.08 -3.04 0.01 0.00 -1.15 0.00 0.00 33.47 29.38 1pgg s TRP 323 CO 0.59 -1.68 0.10 0.41 0.02 0.00 0.00 176.95 176.39 1pgg n GLY 324 N -1.22 2.53 0.09 0.98 0.00 -1.26 -4.94 105.19 101.36 1pgg n GLY 324 Ca 0.09 -2.17 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 1pgg n GLY 324 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1pgg h ASP 325 N 0.07 -0.22 -0.88 1.61 3.58 -1.92 -1.83 116.42 116.84 1pgg h ASP 325 Ca -0.06 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.49 1pgg h ASP 325 Cb 0.22 0.06 -0.11 0.00 1.72 0.00 0.00 39.33 41.23 1pgg h ASP 325 CO 0.08 -0.13 -0.52 -0.62 -2.88 0.00 0.00 179.24 175.17 1pgg n GLU 326 N -2.71 -0.39 -0.26 0.28 -0.58 -1.26 0.13 120.64 115.85 1pgg n GLU 326 Ca -0.03 1.34 -0.03 0.00 -0.42 0.00 0.00 57.16 58.02 1pgg n GLU 326 Cb 0.09 -1.96 0.15 0.00 -0.57 0.00 0.00 31.44 29.14 1pgg n GLU 326 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1pgg h GLN 327 N 0.00 1.10 -0.03 3.49 4.15 -1.96 0.80 115.11 122.66 1pgg h GLN 327 Ca 0.14 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pgg h GLN 327 Cb 0.36 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1pgg h GLN 327 CO -0.83 0.82 0.01 -0.07 -1.93 0.00 0.00 178.83 176.83 1pgg h LEU 328 N 1.09 0.03 0.19 -2.39 3.38 0.02 0.07 115.31 117.71 1pgg h LEU 328 Ca 0.27 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1pgg h LEU 328 Cb 0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1pgg h LEU 328 CO -0.04 0.15 -0.24 0.15 0.09 0.00 0.00 178.44 178.55 1pgg h PHE 329 N -0.08 -0.63 -0.18 1.13 3.57 0.10 0.32 116.94 121.16 1pgg h PHE 329 Ca 0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1pgg h PHE 329 Cb 0.12 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1pgg h PHE 329 CO -0.03 -0.34 0.07 1.96 -2.23 0.00 0.00 178.31 177.74 1pgg h GLN 330 N -0.48 0.16 -0.16 1.11 1.08 0.57 -1.65 115.11 115.74 1pgg h GLN 330 Ca 0.01 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1pgg h GLN 330 Cb 0.47 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1pgg h GLN 330 CO -0.09 0.11 -0.17 1.15 -0.95 0.00 0.00 178.83 178.88 1pgg h THR 331 N 0.17 1.20 -0.04 -0.54 2.02 -0.66 -2.22 112.91 112.84 1pgg h THR 331 Ca 0.08 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1pgg h THR 331 Cb 0.03 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1pgg h THR 331 CO -0.07 0.29 0.02 0.00 0.37 0.00 0.00 175.52 176.13 1pgg h ALA 332 N 1.58 0.05 -0.47 6.16 0.00 0.07 -2.30 119.26 124.36 1pgg h ALA 332 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1pgg h ALA 332 Cb 0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1pgg h ALA 332 CO 0.03 -0.40 0.31 -0.09 0.00 0.00 0.00 179.25 179.10 1pgg h ARG 333 N -0.03 0.48 -0.06 0.00 2.43 -0.86 -0.25 114.38 116.09 1pgg h ARG 333 Ca 0.01 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1pgg h ARG 333 Cb 0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1pgg h ARG 333 CO -0.00 0.32 -0.61 -0.07 -1.51 0.00 0.00 179.97 178.10 1pgg h LEU 334 N 0.50 0.25 -0.38 3.80 3.38 -1.13 -1.20 115.31 120.53 1pgg h LEU 334 Ca 0.19 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1pgg h LEU 334 Cb 0.14 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1pgg h LEU 334 CO -0.05 0.80 -0.28 0.40 0.09 0.00 0.00 178.44 179.40 1pgg h ILE 335 N 0.16 1.28 -0.37 1.22 2.04 -0.53 -1.90 117.51 119.41 1pgg h ILE 335 Ca -0.01 -1.44 -0.11 0.00 1.00 0.00 0.00 64.86 64.30 1pgg h ILE 335 Cb 1.12 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1pgg h ILE 335 CO 0.09 0.48 -0.21 -0.07 0.00 0.00 0.00 178.15 178.45 1pgg h LEU 336 N 0.67 0.71 -0.70 1.44 4.07 -1.12 0.11 115.31 120.48 1pgg h LEU 336 Ca 0.07 -0.24 0.01 0.00 0.08 0.00 0.00 57.88 57.79 1pgg h LEU 336 Cb 0.86 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.37 1pgg h LEU 336 CO 0.08 0.91 0.46 0.40 -1.08 0.00 0.00 178.44 179.21 1pgg h ILE 337 N 0.62 1.18 -0.36 1.22 2.04 -1.05 0.77 117.51 121.94 1pgg h ILE 337 Ca 0.09 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1pgg h ILE 337 Cb 0.69 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1pgg h ILE 337 CO 0.05 0.18 0.15 1.23 0.00 0.00 0.00 178.15 179.76 1pgg h GLY 338 N 0.96 0.58 0.66 5.37 0.00 -0.82 0.79 103.07 110.61 1pgg h GLY 338 Ca 0.26 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.30 1pgg h GLY 338 CO -0.05 0.29 -0.12 0.83 0.00 0.00 0.00 176.54 177.49 1pgg h GLU 339 N 0.44 -0.17 -0.05 4.80 5.08 -0.17 -1.16 114.58 123.35 1pgg h GLU 339 Ca 0.12 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1pgg h GLU 339 Cb 0.18 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1pgg h GLU 339 CO -0.01 -0.11 -0.23 1.15 -1.00 0.00 0.00 179.01 178.81 1pgg h THR 340 N -0.18 0.46 -1.00 1.13 2.02 -0.59 -1.30 112.91 113.45 1pgg h THR 340 Ca 0.06 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.34 1pgg h THR 340 Cb 0.25 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.04 1pgg h THR 340 CO -0.14 0.00 0.64 0.40 0.37 0.00 0.00 175.52 176.78 1pgg h ILE 341 N -0.33 0.96 0.79 3.11 2.04 -0.35 0.69 117.51 124.42 1pgg h ILE 341 Ca 0.07 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1pgg h ILE 341 Cb 0.44 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1pgg h ILE 341 CO -0.24 0.19 -0.38 0.50 0.00 0.00 0.00 178.15 178.22 1pgg h LYS 342 N 1.03 -1.02 -0.18 2.37 3.64 -0.44 -1.46 116.57 120.51 1pgg h LYS 342 Ca 0.48 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.98 1pgg h LYS 342 Cb 0.41 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 1pgg h LYS 342 CO -0.24 -0.68 -0.16 0.82 -2.27 0.00 0.00 179.45 176.93 1pgg h ILE 343 N -1.28 0.57 -1.00 2.00 2.04 -1.16 0.38 117.51 119.06 1pgg h ILE 343 Ca -0.11 0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.98 1pgg h ILE 343 Cb 0.81 0.57 -0.09 0.00 -0.74 0.00 0.00 36.82 37.36 1pgg h ILE 343 CO 0.18 0.00 0.63 0.58 0.00 0.00 0.00 178.15 179.54 1pgg h VAL 344 N -0.17 0.61 0.09 1.67 2.07 -0.87 -1.01 116.25 118.64 1pgg h VAL 344 Ca 0.11 -0.18 -0.32 0.00 0.82 0.00 0.00 66.70 67.14 1pgg h VAL 344 Cb 0.34 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1pgg h VAL 344 CO -0.29 0.09 -1.70 0.40 0.02 0.00 0.00 177.57 176.09 1pgg h ILE 345 N 0.51 0.77 0.00 4.57 1.08 -0.03 -1.30 117.51 123.11 1pgg h ILE 345 Ca 0.57 -2.30 0.00 0.00 -0.39 0.00 0.00 64.86 62.73 1pgg h ILE 345 Cb 1.24 2.45 0.00 0.00 -3.07 0.00 0.00 36.82 37.44 1pgg h ILE 345 CO -0.30 0.70 -0.71 -0.62 -0.69 0.00 0.00 178.15 176.53 1pgg n GLU 346 N -3.83 0.18 0.00 2.37 1.02 0.12 -3.81 120.64 116.69 1pgg n GLU 346 Ca -0.31 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1pgg n GLU 346 Cb 0.92 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1pgg n GLU 346 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pgg n GLU 347 N -1.83 0.00 0.10 3.49 1.02 -0.67 -4.42 120.64 118.34 1pgg n GLU 347 Ca 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 1pgg n GLU 347 Cb 0.40 -0.67 -0.08 0.00 -0.02 0.00 0.00 31.44 31.07 1pgg n GLU 347 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1pgg h TYR 348 N 0.00 -0.24 0.71 -0.32 5.03 -1.25 -2.74 116.97 118.17 1pgg h TYR 348 Ca 0.00 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1pgg h TYR 348 Cb 0.80 0.08 0.01 0.00 1.55 0.00 0.00 36.73 39.17 1pgg h TYR 348 CO 0.00 0.11 -0.34 0.28 -1.32 0.00 0.00 178.16 176.89 1pgg h VAL 349 N -0.64 0.00 -0.61 1.81 2.07 -1.33 -3.16 116.25 114.39 1pgg h VAL 349 Ca -0.03 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.40 1pgg h VAL 349 Cb 0.46 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 1pgg h VAL 349 CO 0.04 0.00 -0.21 1.67 0.02 0.00 0.00 177.57 179.09 1pgg n GLN 350 N -5.12 -0.12 0.21 1.57 -0.06 -1.25 0.32 117.38 112.93 1pgg n GLN 350 Ca -0.12 0.94 -0.15 0.00 -2.00 0.00 0.00 57.00 55.68 1pgg n GLN 350 Cb 0.38 -1.40 -0.07 0.00 -4.06 0.00 0.00 30.24 25.08 1pgg n GLN 350 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 1pgg h GLN 351 N 0.00 -0.61 0.04 3.69 5.75 -1.56 -2.08 115.11 120.33 1pgg h GLN 351 Ca 0.24 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.78 1pgg h GLN 351 Cb 0.39 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1pgg h GLN 351 CO -0.61 -0.41 -0.10 -0.07 -2.65 0.00 0.00 178.83 174.98 1pgg h LEU 352 N -0.64 -0.31 -0.86 -2.39 3.38 -0.10 -3.08 115.31 111.32 1pgg h LEU 352 Ca -0.02 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1pgg h LEU 352 Cb 0.57 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.31 1pgg h LEU 352 CO -0.04 -0.12 -0.51 0.77 0.09 0.00 0.00 178.44 178.64 1pgg h SER 353 N -0.16 -1.84 0.00 -0.43 4.64 -1.27 -3.46 113.55 111.03 1pgg h SER 353 Ca -0.00 0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1pgg h SER 353 Cb 0.15 0.84 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1pgg h SER 353 CO -0.05 -0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.24 1pgg n GLY 354 N -1.35 0.68 3.74 -0.77 0.00 -0.78 -5.02 105.19 101.69 1pgg n GLY 354 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1pgg n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pgg s TYR 355 N -2.14 2.30 -0.29 1.61 1.51 -1.26 -4.71 117.35 114.36 1pgg s TYR 355 Ca 0.00 1.63 0.23 0.00 -1.01 0.00 0.00 57.07 57.91 1pgg s TYR 355 Cb 0.00 -3.15 -0.02 0.00 -0.11 0.00 0.00 41.96 38.69 1pgg s TYR 355 CO 0.00 -2.10 0.98 1.19 -1.11 0.00 0.00 175.55 174.51 1pgg n PHE 356 N -3.66 0.70 -2.22 2.71 3.72 0.25 -4.89 117.46 114.08 1pgg n PHE 356 Ca 0.10 0.20 -0.43 0.00 -0.05 0.00 0.00 57.45 57.28 1pgg n PHE 356 Cb 0.53 -0.80 -0.02 0.00 -0.94 0.00 0.00 39.48 38.24 1pgg n PHE 356 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1pgg s LEU 357 N -4.95 4.16 -0.73 4.37 2.96 -1.26 -4.85 118.68 118.38 1pgg s LEU 357 Ca -0.01 1.84 -0.26 0.00 -0.22 0.00 0.00 54.13 55.48 1pgg s LEU 357 Cb 0.11 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.20 1pgg s LEU 357 CO 0.80 -0.93 2.10 -1.58 -1.32 0.00 0.00 176.35 175.42 1pgg s GLN 358 N 3.96 2.28 0.09 1.98 2.00 -1.26 -4.89 119.66 123.82 1pgg s GLN 358 Ca 0.64 0.42 -0.31 0.00 -2.00 0.00 0.00 55.36 54.11 1pgg s GLN 358 Cb -0.26 -4.74 -0.10 0.00 0.80 0.00 0.00 33.01 28.71 1pgg s GLN 358 CO 0.23 -3.42 1.88 1.28 -0.50 0.00 0.00 175.29 174.76 1pgg n LEU 359 N 15.01 4.06 -4.54 3.68 4.77 -1.26 -4.94 117.00 133.78 1pgg n LEU 359 Ca 0.36 0.96 -0.34 0.00 -0.03 0.00 0.00 56.01 56.96 1pgg n LEU 359 Cb 0.49 -1.53 -0.12 0.00 -2.33 0.00 0.00 43.42 39.93 1pgg n LEU 359 CO 0.64 0.18 -0.35 -0.75 -1.33 0.00 0.00 177.39 175.78 1pgg s LYS 360 N 3.25 3.49 -0.46 3.23 2.20 -1.26 -4.65 119.74 125.53 1pgg s LYS 360 Ca 0.84 -0.50 -0.18 0.00 -0.36 0.00 0.00 55.97 55.77 1pgg s LYS 360 Cb -0.48 -2.87 0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1pgg s LYS 360 CO 0.39 0.35 0.53 0.12 -0.36 0.00 0.00 175.35 176.39 1pgg s PHE 361 N 0.06 3.12 -0.24 4.03 5.36 -1.26 -4.97 117.98 124.07 1pgg s PHE 361 Ca 0.00 -0.45 -0.02 0.00 -0.96 0.00 0.00 56.93 55.50 1pgg s PHE 361 Cb -0.13 -3.23 0.13 0.00 -0.34 0.00 0.00 43.02 39.44 1pgg s PHE 361 CO 0.03 -0.86 0.32 0.34 -1.46 0.00 0.00 175.22 173.59 1pgg s ASP 362 N 2.24 0.80 0.64 6.13 2.15 -1.26 -5.00 116.67 122.37 1pgg s ASP 362 Ca 0.14 -0.12 0.37 0.00 0.43 0.00 0.00 52.55 53.37 1pgg s ASP 362 Cb -0.18 0.81 2.07 0.00 -0.30 0.00 0.00 42.92 45.32 1pgg s ASP 362 CO 0.13 -0.33 2.25 -0.65 -0.17 0.00 0.00 175.17 176.40 1pgg h PRO 363 N 8.23 0.00 0.00 4.34 0.11 -1.93 -2.33 132.00 140.42 1pgg h PRO 363 Ca -0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 1pgg h PRO 363 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pgg h PRO 363 CO 0.29 0.00 -0.11 0.93 -0.21 0.00 0.00 178.00 178.90 1pgg h GLU 364 N 0.00 0.00 0.00 1.05 5.08 -1.95 -2.89 114.58 115.87 1pgg h GLU 364 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pgg h GLU 364 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1pgg h GLU 364 CO -0.00 0.11 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.03 1pgg h LEU 365 N 0.00 0.00 0.00 1.33 3.38 -1.85 -1.45 115.31 116.73 1pgg h LEU 365 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pgg h LEU 365 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1pgg h LEU 365 CO 0.01 0.01 -0.91 0.18 0.09 0.00 0.00 178.44 177.83 1pgg n LEU 366 N -3.24 0.74 -0.02 1.67 4.77 -1.09 -4.38 117.00 115.44 1pgg n LEU 366 Ca -0.02 -0.25 0.19 0.00 -0.03 0.00 0.00 56.01 55.90 1pgg n LEU 366 Cb 0.13 -0.09 0.66 0.00 -2.33 0.00 0.00 43.42 41.79 1pgg n LEU 366 CO 0.23 0.16 1.19 -0.26 -1.33 0.00 0.00 177.39 177.38 1pgg h PHE 367 N 0.00 0.08 0.00 -1.77 0.04 -1.36 -0.27 116.94 113.67 1pgg h PHE 367 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1pgg h PHE 367 Cb 0.57 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1pgg h PHE 367 CO 0.00 0.03 -0.79 0.78 -0.60 0.00 0.00 178.31 177.73 1pgg h GLY 368 N 0.07 0.00 -1.03 -1.45 0.00 -1.77 -3.47 103.07 95.43 1pgg h GLY 368 Ca 0.26 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.12 1pgg h GLY 368 CO -0.02 0.00 0.26 0.00 0.00 0.00 0.00 176.54 176.78 1pgg s ALA 369 N -2.92 1.57 -0.48 3.60 0.00 -0.11 -4.99 121.76 118.42 1pgg s ALA 369 Ca 0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 1pgg s ALA 369 Cb 0.08 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 20.10 1pgg s ALA 369 CO 0.77 -2.34 0.54 -0.65 0.00 0.00 0.00 175.76 174.08 1pgg s GLN 370 N -5.00 3.09 0.03 0.00 -0.21 -1.26 -5.02 119.66 111.30 1pgg s GLN 370 Ca 0.63 -0.95 0.02 0.00 0.02 0.00 0.00 55.36 55.08 1pgg s GLN 370 Cb -0.17 -4.08 -0.02 0.00 1.00 0.00 0.00 33.01 29.74 1pgg s GLN 370 CO 0.56 -1.10 -0.06 0.12 -2.12 0.00 0.00 175.29 172.69 1pgg s PHE 371 N 2.32 0.55 -0.35 0.91 5.36 -1.26 -5.11 117.98 120.40 1pgg s PHE 371 Ca 0.12 -0.49 -0.08 0.00 -0.96 0.00 0.00 56.93 55.52 1pgg s PHE 371 Cb -0.20 -0.34 0.04 0.00 -0.34 0.00 0.00 43.02 42.19 1pgg s PHE 371 CO 0.11 -0.11 0.14 -0.65 -1.46 0.00 0.00 175.22 173.26 1pgg s GLN 372 N -1.50 2.65 -1.00 10.12 -1.52 -1.26 -5.00 119.66 122.15 1pgg s GLN 372 Ca -0.11 -1.19 -0.20 0.00 -1.95 0.00 0.00 55.36 51.91 1pgg s GLN 372 Cb -0.10 -3.55 -0.09 0.00 -0.22 0.00 0.00 33.01 29.05 1pgg s GLN 372 CO 0.00 -0.70 1.99 0.66 -0.25 0.00 0.00 175.29 176.99 1pgg n TYR 373 N 4.86 2.49 -3.66 0.91 4.01 -1.26 -4.76 117.16 119.75 1pgg n TYR 373 Ca -0.12 -2.12 -0.15 0.00 -0.16 0.00 0.00 57.90 55.36 1pgg n TYR 373 Cb 0.45 -2.04 -0.08 0.00 -0.31 0.00 0.00 39.34 37.35 1pgg n TYR 373 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1pgg s ARG 374 N 4.65 0.79 0.13 -0.72 3.52 -0.88 -4.60 118.95 121.84 1pgg s ARG 374 Ca 0.56 0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 56.37 1pgg s ARG 374 Cb 0.12 0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 33.85 1pgg s ARG 374 CO 0.07 -0.20 0.11 1.21 -0.81 0.00 0.00 175.30 175.67 1pgg s ASN 375 N -0.80 0.26 -0.27 -2.12 3.84 -1.26 -4.82 114.94 109.76 1pgg s ASN 375 Ca -0.09 -1.07 -0.07 0.00 0.21 0.00 0.00 52.86 51.85 1pgg s ASN 375 Cb -0.03 0.32 0.13 0.00 -0.55 0.00 0.00 41.25 41.13 1pgg s ASN 375 CO 0.05 -0.75 0.56 -0.60 -2.79 0.00 0.00 177.10 173.57 1pgg s ARG 376 N -4.00 0.50 -0.02 0.43 6.06 -1.26 -4.87 118.95 115.78 1pgg s ARG 376 Ca 0.19 1.17 -0.30 0.00 -2.50 0.00 0.00 55.73 54.30 1pgg s ARG 376 Cb 0.06 0.55 -0.07 0.00 0.06 0.00 0.00 34.95 35.55 1pgg s ARG 376 CO -0.01 -0.35 1.84 0.42 -2.50 0.00 0.00 175.30 174.70 1pgg s ILE 377 N 2.79 3.27 0.21 4.11 -1.09 -1.26 -4.68 121.20 124.55 1pgg s ILE 377 Ca 0.03 0.32 -0.18 0.00 -2.23 0.00 0.00 60.65 58.59 1pgg s ILE 377 Cb -0.13 -3.22 -0.08 0.00 -1.58 0.00 0.00 42.46 37.46 1pgg s ILE 377 CO -0.18 -0.04 0.68 0.00 -1.23 0.00 0.00 174.94 174.18 1pgg s ALA 378 N 4.44 3.45 0.27 9.38 0.00 -1.26 -1.45 121.76 136.58 1pgg s ALA 378 Ca 0.82 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 1pgg s ALA 378 Cb -0.38 -2.74 0.32 0.00 0.00 0.00 0.00 23.12 20.32 1pgg s ALA 378 CO 0.36 0.36 1.93 0.00 0.00 0.00 0.00 175.76 178.41 1pgg h MET 379 N 3.37 1.22 -0.93 0.00 -0.00 -0.41 0.29 114.93 118.48 1pgg h MET 379 Ca -0.48 -0.08 0.09 0.00 -0.00 0.00 0.00 59.70 59.22 1pgg h MET 379 Cb 1.19 -0.27 -0.07 0.00 -0.00 0.00 0.00 31.60 32.45 1pgg h MET 379 CO 0.65 0.82 0.60 0.93 -0.00 0.00 0.00 176.91 179.92 1pgg h GLU 380 N 1.26 0.96 -0.05 -0.10 3.07 -1.94 -0.46 114.58 117.32 1pgg h GLU 380 Ca 0.34 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 59.06 1pgg h GLU 380 Cb -0.12 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.56 1pgg h GLU 380 CO -0.07 0.63 -0.34 0.35 -1.40 0.00 0.00 179.01 178.18 1pgg h PHE 381 N 0.98 0.10 -0.04 4.33 3.57 -1.32 -0.53 116.94 124.03 1pgg h PHE 381 Ca 0.42 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.76 1pgg h PHE 381 Cb 0.32 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1pgg h PHE 381 CO -0.00 0.42 -0.62 -0.97 -2.23 0.00 0.00 178.31 174.91 1pgg h ASN 382 N 0.08 0.17 0.07 0.41 -0.73 -0.62 -2.72 115.58 112.23 1pgg h ASN 382 Ca 0.01 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.08 1pgg h ASN 382 Cb 0.64 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1pgg h ASN 382 CO 0.05 0.75 -0.03 1.56 -0.37 0.00 0.00 177.43 179.38 1pgg h GLN 383 N 0.11 -0.09 0.00 6.67 1.08 -1.05 -3.29 115.11 118.54 1pgg h GLN 383 Ca -0.01 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pgg h GLN 383 Cb 1.12 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1pgg h GLN 383 CO 0.09 -0.06 0.44 1.25 -0.95 0.00 0.00 178.83 179.60 1pgg h LEU 384 N -0.29 0.00 -2.00 1.46 6.46 -1.19 0.76 115.31 120.51 1pgg h LEU 384 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1pgg h LEU 384 Cb 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1pgg h LEU 384 CO 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 178.44 177.84 1pgg n TYR 385 N -2.07 0.11 -0.82 1.25 4.19 -1.03 -4.72 117.16 114.08 1pgg n TYR 385 Ca -0.01 -0.05 -0.16 0.00 3.31 0.00 0.00 57.90 60.98 1pgg n TYR 385 Cb 0.45 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 40.20 1pgg n TYR 385 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1pgg n HIS 386 N 1.36 0.69 -0.74 2.98 8.25 0.26 -4.84 115.22 123.18 1pgg n HIS 386 Ca 0.15 -1.60 -0.24 0.00 -0.26 0.00 0.00 57.72 55.77 1pgg n HIS 386 Cb 0.60 -1.55 -0.02 0.00 1.12 0.00 0.00 29.99 30.13 1pgg n HIS 386 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1pgg n TRP 387 N 3.15 1.32 0.32 4.41 8.01 -1.26 -4.71 117.44 128.68 1pgg n TRP 387 Ca 0.42 -1.81 0.15 0.00 -1.31 0.00 0.00 57.50 54.95 1pgg n TRP 387 Cb 0.48 -1.58 0.63 0.00 -2.01 0.00 0.00 31.31 28.82 1pgg n TRP 387 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1pgg h HIS 388 N 6.73 0.00 0.00 -5.99 3.86 -1.97 -2.93 115.15 114.84 1pgg h HIS 388 Ca 0.44 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.65 1pgg h HIS 388 Cb 0.23 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 1pgg h HIS 388 CO 1.85 0.00 -0.02 -1.35 0.86 0.00 0.00 177.93 179.27 1pgg h PRO 389 N 0.00 0.00 -0.78 2.45 0.11 -1.84 -2.88 132.00 129.05 1pgg h PRO 389 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.19 1pgg h PRO 389 Cb 0.44 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.49 1pgg h PRO 389 CO 0.00 0.02 0.45 -0.07 -0.21 0.00 0.00 178.00 178.19 1pgg h LEU 390 N 0.00 0.67 -9.60 2.35 3.38 -1.68 -3.37 115.31 107.06 1pgg h LEU 390 Ca -0.00 0.04 -0.59 0.00 0.09 0.00 0.00 57.88 57.42 1pgg h LEU 390 Cb 0.23 -0.10 0.10 0.00 0.09 0.00 0.00 40.66 40.98 1pgg h LEU 390 CO 0.00 0.41 0.45 0.23 0.09 0.00 0.00 178.44 179.62 1pgg n MET 391 N -4.73 1.85 -0.06 1.13 2.81 -1.09 -1.32 117.12 115.71 1pgg n MET 391 Ca 0.12 0.65 0.00 0.00 -1.81 0.00 0.00 57.70 56.66 1pgg n MET 391 Cb 0.22 -2.21 0.00 0.00 -0.71 0.00 0.00 33.22 30.52 1pgg n MET 391 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1pgg n PRO 392 N 1.23 0.23 -0.00 0.03 -0.04 -1.26 -4.61 135.00 130.58 1pgg n PRO 392 Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1pgg n PRO 392 Cb 0.33 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.65 1pgg n PRO 392 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1pgg h ASP 393 N 0.00 0.06 -5.17 3.54 3.32 -1.96 -3.46 116.42 112.76 1pgg h ASP 393 Ca 0.00 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1pgg h ASP 393 Cb 0.00 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 39.42 1pgg h ASP 393 CO 0.00 1.10 -0.15 -0.94 -1.72 0.00 0.00 179.24 177.54 1pgg s SER 394 N -6.30 -0.11 -0.31 6.45 1.04 -1.26 -4.68 113.70 108.54 1pgg s SER 394 Ca -0.06 -0.65 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 1pgg s SER 394 Cb 0.08 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.75 1pgg s SER 394 CO 0.82 -0.96 0.02 -0.36 0.98 0.00 0.00 173.24 173.74 1pgg s PHE 395 N -3.91 3.27 -0.30 5.02 0.08 0.10 -4.94 117.98 117.30 1pgg s PHE 395 Ca 0.12 -1.84 -0.21 0.00 0.12 0.00 0.00 56.93 55.12 1pgg s PHE 395 Cb 0.01 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1pgg s PHE 395 CO -0.03 -0.80 0.64 0.50 -0.10 0.00 0.00 175.22 175.44 1pgg s ARG 396 N 1.26 3.92 -0.67 0.44 3.52 -1.26 -0.17 118.95 126.00 1pgg s ARG 396 Ca -0.04 0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1pgg s ARG 396 Cb -0.20 -3.72 0.16 0.00 -1.56 0.00 0.00 34.95 29.63 1pgg s ARG 396 CO -0.01 -0.57 0.45 0.08 -0.81 0.00 0.00 175.30 174.45 1pgg s VAL 397 N 2.63 3.00 0.00 7.11 1.01 0.73 -4.72 120.40 130.16 1pgg s VAL 397 Ca 0.26 -3.90 0.00 0.00 0.00 0.00 0.00 61.98 58.34 1pgg s VAL 397 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1pgg s VAL 397 CO 0.12 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 174.88 1pgg n GLY 398 N 2.41 0.61 0.22 4.51 0.00 -1.26 -2.88 105.19 108.80 1pgg n GLY 398 Ca 0.15 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.61 1pgg n GLY 398 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pgg h PRO 399 N 0.00 0.00 -6.51 1.61 0.13 -2.02 -3.44 132.00 121.77 1pgg h PRO 399 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1pgg h PRO 399 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pgg h PRO 399 CO 0.00 0.18 0.48 -0.65 -0.23 0.00 0.00 178.00 177.78 1pgg s GLN 400 N -3.41 4.52 -0.29 0.86 -1.52 -1.14 -5.03 119.66 113.65 1pgg s GLN 400 Ca 0.03 1.65 0.01 0.00 -1.95 0.00 0.00 55.36 55.10 1pgg s GLN 400 Cb 0.08 -3.36 0.09 0.00 -0.22 0.00 0.00 33.01 29.60 1pgg s GLN 400 CO 0.65 -0.10 0.03 0.34 -0.25 0.00 0.00 175.29 175.96 1pgg s ASP 401 N 0.71 4.17 0.17 5.90 -1.08 -1.26 -0.19 116.67 125.08 1pgg s ASP 401 Ca 0.54 -1.62 -0.16 0.00 -0.52 0.00 0.00 52.55 50.79 1pgg s ASP 401 Cb -0.27 -1.19 -0.07 0.00 -1.46 0.00 0.00 42.92 39.93 1pgg s ASP 401 CO 0.30 -0.34 0.59 -0.31 0.52 0.00 0.00 175.17 175.93 1pgg s TYR 402 N 1.33 3.61 0.64 -5.34 2.02 0.76 -4.87 117.35 115.50 1pgg s TYR 402 Ca 0.05 1.14 -0.05 0.00 -0.37 0.00 0.00 57.07 57.84 1pgg s TYR 402 Cb -0.18 -2.43 0.04 0.00 -0.40 0.00 0.00 41.96 38.98 1pgg s TYR 402 CO -0.13 0.40 0.93 -1.54 -1.57 0.00 0.00 175.55 173.64 1pgg s SER 403 N -1.70 5.17 0.16 2.29 1.04 -1.26 0.03 113.70 119.42 1pgg s SER 403 Ca 0.39 0.46 -0.16 0.00 0.48 0.00 0.00 55.95 57.13 1pgg s SER 403 Cb -0.15 -1.28 0.06 0.00 0.10 0.00 0.00 66.02 64.75 1pgg s SER 403 CO 0.20 -1.33 1.78 1.88 0.98 0.00 0.00 173.24 176.74 1pgg h TYR 404 N -0.33 0.35 0.00 5.02 -1.99 -1.97 0.14 116.97 118.19 1pgg h TYR 404 Ca -0.44 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1pgg h TYR 404 Cb 1.29 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.92 1pgg h TYR 404 CO 0.39 0.18 0.00 1.05 -0.00 0.00 0.00 178.16 179.78 1pgg h GLU 405 N 0.39 0.00 0.00 4.88 9.09 -1.99 -0.38 114.58 126.57 1pgg h GLU 405 Ca 0.17 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.49 1pgg h GLU 405 Cb 0.08 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.17 1pgg h GLU 405 CO -0.12 0.00 -2.05 1.04 0.05 0.00 0.00 179.01 177.93 1pgg n GLN 406 N -2.43 0.66 -0.06 1.06 6.02 0.26 -4.65 117.38 118.25 1pgg n GLN 406 Ca -0.02 -0.14 -0.02 0.00 -0.01 0.00 0.00 57.00 56.81 1pgg n GLN 406 Cb 0.05 -1.53 -0.01 0.00 1.02 0.00 0.00 30.24 29.77 1pgg n GLN 406 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1pgg h PHE 407 N 0.00 0.00 -0.47 1.08 3.57 0.68 -3.41 116.94 118.38 1pgg h PHE 407 Ca -0.13 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.46 1pgg h PHE 407 Cb 1.30 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.95 1pgg h PHE 407 CO 0.00 0.02 -0.15 1.28 -2.23 0.00 0.00 178.31 177.24 1pgg n LEU 408 N -4.70 -0.23 -1.09 0.59 4.32 -0.37 -1.63 117.00 113.89 1pgg n LEU 408 Ca -0.04 0.81 0.01 0.00 -0.02 0.00 0.00 56.01 56.78 1pgg n LEU 408 Cb 0.13 -0.22 0.14 0.00 -1.62 0.00 0.00 43.42 41.85 1pgg n LEU 408 CO 0.05 -0.76 0.25 0.49 -1.22 0.00 0.00 177.39 176.21 1pgg n PHE 409 N -4.73 0.41 -1.96 -1.77 3.72 -1.26 -3.16 117.46 108.70 1pgg n PHE 409 Ca 0.06 -1.40 -0.24 0.00 -0.05 0.00 0.00 57.45 55.82 1pgg n PHE 409 Cb 0.21 -0.24 -0.06 0.00 -0.94 0.00 0.00 39.48 38.46 1pgg n PHE 409 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1pgg s ASN 410 N -3.03 4.87 0.45 4.37 3.84 -0.65 -4.82 114.94 119.97 1pgg s ASN 410 Ca 0.38 -0.65 0.31 0.00 0.21 0.00 0.00 52.86 53.11 1pgg s ASN 410 Cb 0.38 -2.56 1.52 0.00 -0.55 0.00 0.00 41.25 40.03 1pgg s ASN 410 CO -0.08 -3.02 1.93 0.71 -2.79 0.00 0.00 177.10 173.85 1pgg h THR 411 N 7.22 0.00 0.00 -5.21 1.35 -1.89 -3.24 112.91 111.14 1pgg h THR 411 Ca 0.09 -0.15 -0.07 0.00 -0.55 0.00 0.00 66.41 65.74 1pgg h THR 411 Cb 1.00 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1pgg h THR 411 CO 1.17 0.00 -1.84 -1.54 -0.25 0.00 0.00 175.52 173.06 1pgg n SER 412 N -2.63 1.16 -0.23 5.36 3.41 -1.26 -4.67 113.62 114.75 1pgg n SER 412 Ca -0.01 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1pgg n SER 412 Cb 0.14 1.56 0.45 0.00 -0.26 0.00 0.00 64.21 66.10 1pgg n SER 412 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1pgg h MET 413 N 0.00 0.52 -0.06 4.33 -1.53 -1.96 -1.00 114.93 115.24 1pgg h MET 413 Ca -0.10 -0.03 -0.06 0.00 -3.44 0.00 0.00 59.70 56.07 1pgg h MET 413 Cb 1.04 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.98 1pgg h MET 413 CO 0.01 0.35 -0.20 1.25 0.14 0.00 0.00 176.91 178.45 1pgg h LEU 414 N 0.54 0.27 -1.01 3.39 5.85 -1.83 -1.67 115.31 120.85 1pgg h LEU 414 Ca 0.42 -0.63 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1pgg h LEU 414 Cb 0.85 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1pgg h LEU 414 CO -0.17 0.85 -0.40 0.58 -0.34 0.00 0.00 178.44 178.97 1pgg h VAL 415 N -0.30 1.30 0.84 1.05 2.07 -1.79 0.63 116.25 120.06 1pgg h VAL 415 Ca -0.01 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 1pgg h VAL 415 Cb 0.83 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1pgg h VAL 415 CO 0.04 0.43 -0.40 0.44 0.02 0.00 0.00 177.57 178.10 1pgg h ASP 416 N 0.16 -0.95 0.79 0.57 3.32 -1.17 -3.33 116.42 115.81 1pgg h ASP 416 Ca 0.02 0.03 -0.25 0.00 0.02 0.00 0.00 57.03 56.85 1pgg h ASP 416 Cb 0.78 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1pgg h ASP 416 CO 0.06 -0.61 -1.19 1.88 -1.72 0.00 0.00 179.24 177.66 1pgg h TYR 417 N -1.28 0.19 -0.30 4.55 -1.99 -1.31 -3.51 116.97 113.32 1pgg h TYR 417 Ca -0.12 -0.14 0.01 0.00 2.00 0.00 0.00 58.73 60.49 1pgg h TYR 417 Cb 0.87 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 1pgg h TYR 417 CO -0.00 1.12 -0.09 0.41 -0.00 0.00 0.00 178.16 179.60 1pgg n GLY 418 N 1.46 -2.81 0.38 3.88 0.00 0.22 -4.17 105.19 104.15 1pgg n GLY 418 Ca -0.06 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1pgg n GLY 418 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pgg h VAL 419 N -0.04 0.00 -0.59 1.61 2.07 -1.95 -2.79 116.25 114.56 1pgg h VAL 419 Ca -0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1pgg h VAL 419 Cb 0.09 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.75 1pgg h VAL 419 CO 0.00 0.00 -0.25 -0.33 0.02 0.00 0.00 177.57 177.01 1pgg h GLU 420 N -0.17 -0.09 -0.11 1.57 3.07 -1.90 0.13 114.58 117.08 1pgg h GLU 420 Ca 0.10 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.01 1pgg h GLU 420 Cb 0.43 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 1pgg h GLU 420 CO -0.67 -0.06 -0.19 0.00 -1.40 0.00 0.00 179.01 176.68 1pgg h ALA 421 N 1.29 -0.15 -0.58 3.43 0.00 -1.66 -0.15 119.26 121.44 1pgg h ALA 421 Ca 0.26 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1pgg h ALA 421 Cb 0.52 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1pgg h ALA 421 CO -0.66 -0.65 0.04 -0.07 0.00 0.00 0.00 179.25 177.90 1pgg h LEU 422 N -0.25 0.96 -1.38 0.00 3.38 -1.31 -1.88 115.31 114.83 1pgg h LEU 422 Ca 0.09 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1pgg h LEU 422 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1pgg h LEU 422 CO -0.26 1.02 0.23 0.58 0.09 0.00 0.00 178.44 180.09 1pgg h VAL 423 N 0.88 1.16 -0.23 1.22 2.07 -0.00 0.01 116.25 121.36 1pgg h VAL 423 Ca 0.17 -0.44 -0.16 0.00 0.82 0.00 0.00 66.70 67.09 1pgg h VAL 423 Cb 0.50 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1pgg h VAL 423 CO 0.02 0.18 -0.49 -0.78 0.02 0.00 0.00 177.57 176.53 1pgg h ASP 424 N 0.65 0.82 0.74 0.57 1.82 -0.83 -2.04 116.42 118.16 1pgg h ASP 424 Ca 0.17 -0.55 -0.03 0.00 -0.39 0.00 0.00 57.03 56.22 1pgg h ASP 424 Cb 0.06 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.84 1pgg h ASP 424 CO -0.02 1.22 -0.38 0.00 -1.61 0.00 0.00 179.24 178.45 1pgg h ALA 425 N 0.62 -1.04 -0.05 -0.78 0.00 -0.48 -1.88 119.26 115.66 1pgg h ALA 425 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1pgg h ALA 425 Cb 1.09 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1pgg h ALA 425 CO 0.11 -1.09 -0.18 0.74 0.00 0.00 0.00 179.25 178.83 1pgg h PHE 426 N -1.03 0.07 0.00 0.00 0.04 -1.09 -0.81 116.94 114.12 1pgg h PHE 426 Ca -0.10 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1pgg h PHE 426 Cb 0.80 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1pgg h PHE 426 CO -0.04 0.25 0.00 0.77 -0.60 0.00 0.00 178.31 178.69 1pgg h SER 427 N 0.07 0.00 0.04 2.17 0.02 -1.07 -1.99 113.55 112.79 1pgg h SER 427 Ca 0.01 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.72 1pgg h SER 427 Cb 0.36 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 1pgg h SER 427 CO 0.02 0.00 -2.22 0.54 -1.14 0.00 0.00 176.83 174.03 1pgg n ARG 428 N -2.93 0.68 -3.08 3.45 1.74 -0.40 -3.93 116.66 112.19 1pgg n ARG 428 Ca 0.01 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.63 1pgg n ARG 428 Cb 0.31 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 1pgg n ARG 428 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pgg s GLN 429 N -2.83 4.06 0.56 5.56 0.74 -0.69 -4.66 119.66 122.41 1pgg s GLN 429 Ca -0.09 0.54 -0.21 0.00 0.05 0.00 0.00 55.36 55.65 1pgg s GLN 429 Cb 0.09 -3.67 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 1pgg s GLN 429 CO 0.85 -0.48 1.31 -1.25 -0.55 0.00 0.00 175.29 175.17 1pgg s PRO 430 N 2.60 3.06 0.17 1.67 0.04 -1.26 -1.44 135.00 139.83 1pgg s PRO 430 Ca 0.27 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.46 1pgg s PRO 430 Cb -0.15 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1pgg s PRO 430 CO 0.09 -1.21 0.23 0.00 0.04 0.00 0.00 177.00 176.15 1pgg s ALA 431 N -1.38 3.80 0.45 8.56 0.00 -0.53 -4.66 121.76 128.00 1pgg s ALA 431 Ca 0.74 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 1pgg s ALA 431 Cb -0.37 -1.60 -0.09 0.00 0.00 0.00 0.00 23.12 21.06 1pgg s ALA 431 CO 0.43 0.48 0.92 0.20 0.00 0.00 0.00 175.76 177.79 1pgg s GLY 432 N -3.29 2.19 0.50 0.00 0.00 -0.43 -0.73 107.32 105.55 1pgg s GLY 432 Ca 0.33 0.20 -0.21 0.00 0.00 0.00 0.00 44.72 45.04 1pgg s GLY 432 CO 0.26 0.46 0.77 -2.13 0.00 0.00 0.00 173.10 172.46 1pgg n ARG 433 N -1.09 0.86 -0.07 2.90 0.63 0.23 -4.18 116.66 115.94 1pgg n ARG 433 Ca 0.06 0.32 -0.17 0.00 -0.92 0.00 0.00 57.85 57.14 1pgg n ARG 433 Cb 0.54 -1.86 -0.13 0.00 0.45 0.00 0.00 32.46 31.45 1pgg n ARG 433 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1pgg n ILE 434 N -1.16 1.57 -2.92 5.15 5.41 0.11 -4.50 119.36 123.03 1pgg n ILE 434 Ca 0.11 -0.67 -0.20 0.00 1.00 0.00 0.00 62.75 62.99 1pgg n ILE 434 Cb 0.43 -1.31 0.02 0.00 -0.71 0.00 0.00 39.64 38.07 1pgg n ILE 434 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1pgg s GLY 435 N -5.93 1.77 0.00 7.39 0.00 0.11 -4.77 107.32 105.89 1pgg s GLY 435 Ca -0.24 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1pgg s GLY 435 CO 0.71 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 173.25 1pgg n GLY 436 N -2.07 2.80 0.00 0.20 0.00 -1.02 -4.87 105.19 100.23 1pgg n GLY 436 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1pgg n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pgg n GLY 437 N 0.00 2.71 4.25 -0.02 0.00 -1.08 -4.83 105.19 106.22 1pgg n GLY 437 Ca 0.00 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1pgg n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pgg n ARG 438 N 0.64 -0.98 -0.10 1.61 1.74 0.14 -4.86 116.66 114.84 1pgg n ARG 438 Ca 0.00 0.11 0.01 0.00 -0.77 0.00 0.00 57.85 57.20 1pgg n ARG 438 Cb 0.00 -3.46 0.01 0.00 -1.02 0.00 0.00 32.46 27.99 1pgg n ARG 438 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pgg n ASN 439 N -2.77 0.52 -4.61 0.55 5.15 -0.88 -2.91 115.26 110.32 1pgg n ASN 439 Ca -0.29 -1.52 -0.40 0.00 -0.60 0.00 0.00 54.58 51.77 1pgg n ASN 439 Cb 0.68 -0.07 -0.08 0.00 -0.53 0.00 0.00 39.78 39.78 1pgg n ASN 439 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pgg s ILE 440 N -0.37 5.09 0.28 -1.44 1.01 -0.23 -4.65 121.20 120.88 1pgg s ILE 440 Ca 0.02 0.74 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 1pgg s ILE 440 Cb 0.02 -3.81 -0.13 0.00 0.01 0.00 0.00 42.46 38.55 1pgg s ILE 440 CO 0.00 0.07 1.35 -0.67 0.00 0.00 0.00 174.94 175.69 1pgg n ASP 441 N 5.51 2.69 -0.32 3.58 -0.08 -1.26 -1.01 116.55 125.66 1pgg n ASP 441 Ca -0.05 1.17 0.24 0.00 -1.51 0.00 0.00 54.79 54.63 1pgg n ASP 441 Cb 0.50 -1.44 0.53 0.00 2.34 0.00 0.00 41.12 43.05 1pgg n ASP 441 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1pgg h HIS 442 N 3.52 0.58 -0.79 -0.67 2.07 -1.96 -1.55 115.15 116.36 1pgg h HIS 442 Ca -0.45 0.02 0.18 0.00 -2.85 0.00 0.00 60.37 57.26 1pgg h HIS 442 Cb 1.28 -0.17 -0.05 0.00 2.57 0.00 0.00 27.41 31.04 1pgg h HIS 442 CO 0.54 0.05 0.53 0.45 -3.07 0.00 0.00 177.93 176.43 1pgg h HIS 443 N 0.35 0.41 0.00 6.12 3.86 -1.99 -2.60 115.15 121.29 1pgg h HIS 443 Ca 0.59 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.81 1pgg h HIS 443 Cb 1.57 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.92 1pgg h HIS 443 CO -0.00 0.14 0.00 0.44 0.86 0.00 0.00 177.93 179.36 1pgg n ILE 444 N -4.46 0.97 0.31 2.45 -5.35 -0.63 -4.71 119.36 107.94 1pgg n ILE 444 Ca 0.16 -0.98 0.19 0.00 -0.27 0.00 0.00 62.75 61.84 1pgg n ILE 444 Cb 0.63 0.52 1.03 0.00 -1.74 0.00 0.00 39.64 40.07 1pgg n ILE 444 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1pgg h LEU 445 N 0.00 0.00 -1.04 7.28 5.85 -1.02 -1.00 115.31 125.38 1pgg h LEU 445 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1pgg h LEU 445 Cb 0.49 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1pgg h LEU 445 CO 0.00 0.00 -0.06 1.12 -0.34 0.00 0.00 178.44 179.16 1pgg h HIS 446 N 0.00 0.66 -0.75 1.25 2.07 -1.84 -2.69 115.15 113.84 1pgg h HIS 446 Ca 0.00 -0.09 0.06 0.00 -2.85 0.00 0.00 60.37 57.49 1pgg h HIS 446 Cb 0.19 -0.18 -0.06 0.00 2.57 0.00 0.00 27.41 29.93 1pgg h HIS 446 CO 0.00 0.67 0.44 0.28 -3.07 0.00 0.00 177.93 176.24 1pgg h VAL 447 N 0.58 0.99 -0.14 6.12 2.07 -1.55 0.11 116.25 124.42 1pgg h VAL 447 Ca 0.11 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1pgg h VAL 447 Cb 0.45 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1pgg h VAL 447 CO 0.02 0.15 -0.27 0.00 0.02 0.00 0.00 177.57 177.49 1pgg h ALA 448 N 1.38 1.28 0.03 1.67 0.00 -1.61 -0.02 119.26 121.98 1pgg h ALA 448 Ca 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pgg h ALA 448 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pgg h ALA 448 CO -0.18 0.49 -0.01 0.28 0.00 0.00 0.00 179.25 179.82 1pgg h VAL 449 N 0.24 1.08 -0.73 0.00 2.07 -0.70 -2.15 116.25 116.06 1pgg h VAL 449 Ca 0.04 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1pgg h VAL 449 Cb 0.61 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1pgg h VAL 449 CO 0.04 0.09 0.42 0.44 0.02 0.00 0.00 177.57 178.59 1pgg h ASP 450 N -0.19 0.65 -0.74 0.57 3.32 -0.48 -1.81 116.42 117.74 1pgg h ASP 450 Ca -0.00 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1pgg h ASP 450 Cb 0.17 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1pgg h ASP 450 CO 0.01 0.42 0.46 0.58 -1.72 0.00 0.00 179.24 178.99 1pgg h VAL 451 N 0.78 1.08 -0.63 -1.35 2.07 -0.76 0.26 116.25 117.69 1pgg h VAL 451 Ca 0.32 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1pgg h VAL 451 Cb 0.17 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1pgg h VAL 451 CO -0.17 0.16 0.02 0.40 0.02 0.00 0.00 177.57 178.00 1pgg h ILE 452 N 0.89 1.27 -0.44 4.57 2.04 -0.82 -1.50 117.51 123.51 1pgg h ILE 452 Ca 0.31 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 1pgg h ILE 452 Cb 0.06 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1pgg h ILE 452 CO -0.13 0.42 0.05 0.11 0.00 0.00 0.00 178.15 178.60 1pgg h LYS 453 N 1.00 0.75 -0.85 2.37 1.57 -0.41 -2.64 116.57 118.36 1pgg h LYS 453 Ca 0.18 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1pgg h LYS 453 Cb 0.54 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1pgg h LYS 453 CO 0.03 0.78 0.39 1.49 -0.57 0.00 0.00 179.45 181.57 1pgg h GLU 454 N 0.60 1.23 -0.80 3.15 4.81 -0.44 -1.33 114.58 121.80 1pgg h GLU 454 Ca 0.13 -0.19 0.15 0.00 -0.13 0.00 0.00 59.36 59.33 1pgg h GLU 454 Cb 0.41 -0.22 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 1pgg h GLU 454 CO 0.01 0.95 0.35 1.03 -0.73 0.00 0.00 179.01 180.63 1pgg h SER 455 N 1.21 0.36 0.05 1.04 0.87 -0.93 0.13 113.55 116.29 1pgg h SER 455 Ca 0.29 0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.80 1pgg h SER 455 Cb 0.14 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1pgg h SER 455 CO -0.03 0.13 -0.54 0.03 -0.53 0.00 0.00 176.83 175.88 1pgg h ARG 456 N 0.49 0.53 -0.40 2.24 3.08 -0.98 -0.94 114.38 118.41 1pgg h ARG 456 Ca 0.45 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1pgg h ARG 456 Cb 0.69 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1pgg h ARG 456 CO -0.41 0.94 0.13 0.28 -1.07 0.00 0.00 179.97 179.83 1pgg h VAL 457 N 0.41 1.22 0.00 2.04 2.07 -0.64 -0.93 116.25 120.41 1pgg h VAL 457 Ca 0.01 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1pgg h VAL 457 Cb 1.08 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1pgg h VAL 457 CO 0.10 0.25 0.00 0.18 0.02 0.00 0.00 177.57 178.12 1pgg n LEU 458 N -4.60 0.35 -3.92 2.57 4.32 0.32 -4.90 117.00 111.15 1pgg n LEU 458 Ca -0.00 0.61 -0.28 0.00 -0.02 0.00 0.00 56.01 56.32 1pgg n LEU 458 Cb 0.18 -0.58 0.01 0.00 -1.62 0.00 0.00 43.42 41.40 1pgg n LEU 458 CO 0.38 -0.52 -0.05 0.54 -1.22 0.00 0.00 177.39 176.52 1pgg n ARG 459 N -1.91 -4.41 -1.70 3.23 1.74 -0.36 -4.82 116.66 108.44 1pgg n ARG 459 Ca 0.02 0.52 -0.38 0.00 -0.77 0.00 0.00 57.85 57.24 1pgg n ARG 459 Cb 0.15 -5.10 0.06 0.00 -1.02 0.00 0.00 32.46 26.55 1pgg n ARG 459 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1pgg n LEU 460 N -4.46 5.25 -4.82 0.55 7.99 -0.94 -1.41 117.00 119.17 1pgg n LEU 460 Ca -0.13 0.87 -0.29 0.00 -0.01 0.00 0.00 56.01 56.45 1pgg n LEU 460 Cb 0.60 -1.52 0.14 0.00 -0.11 0.00 0.00 43.42 42.53 1pgg n LEU 460 CO 0.75 -1.09 0.75 -1.10 -1.51 0.00 0.00 177.39 175.19 1pgg s GLN 461 N -3.05 1.16 0.63 3.23 -0.21 -1.26 -4.65 119.66 115.52 1pgg s GLN 461 Ca 0.77 0.13 -0.17 0.00 0.02 0.00 0.00 55.36 56.11 1pgg s GLN 461 Cb -0.40 -1.86 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 1pgg s GLN 461 CO 0.45 -2.15 1.19 -2.14 -2.12 0.00 0.00 175.29 170.52 1pgg s PRO 462 N -5.44 2.78 0.21 2.91 0.02 -1.26 -4.37 135.00 129.84 1pgg s PRO 462 Ca 0.65 1.75 -0.12 0.00 0.02 0.00 0.00 61.00 63.30 1pgg s PRO 462 Cb -0.12 -1.91 0.26 0.00 0.02 0.00 0.00 34.50 32.74 1pgg s PRO 462 CO 0.52 -1.34 1.66 0.35 -0.33 0.00 0.00 177.00 177.86 1pgg h PHE 463 N 0.52 -0.09 -0.07 6.54 3.57 -0.97 0.86 116.94 127.30 1pgg h PHE 463 Ca -0.49 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.07 1pgg h PHE 463 Cb 1.29 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 1pgg h PHE 463 CO 0.48 -0.17 0.06 -0.91 -2.23 0.00 0.00 178.31 175.54 1pgg h ASN 464 N 0.09 0.00 -0.08 0.41 4.21 -1.84 -0.31 115.58 118.06 1pgg h ASN 464 Ca 0.30 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.74 1pgg h ASN 464 Cb 0.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1pgg h ASN 464 CO -0.52 0.00 -0.23 -0.33 -1.29 0.00 0.00 177.43 175.06 1pgg h GLU 465 N 0.00 0.30 -0.58 0.81 4.39 -1.19 -2.77 114.58 115.54 1pgg h GLU 465 Ca 0.03 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.55 1pgg h GLU 465 Cb 0.15 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1pgg h GLU 465 CO -0.00 0.83 0.39 1.88 -1.16 0.00 0.00 179.01 180.95 1pgg h TYR 466 N -0.18 0.67 -0.29 4.33 0.05 -0.89 -0.48 116.97 120.17 1pgg h TYR 466 Ca -0.01 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.85 1pgg h TYR 466 Cb 0.85 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 38.30 1pgg h TYR 466 CO 0.12 0.40 -0.13 0.00 -1.05 0.00 0.00 178.16 177.50 1pgg h ARG 467 N 0.71 -0.08 -0.55 4.88 2.47 -0.90 -0.76 114.38 120.14 1pgg h ARG 467 Ca 0.23 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.86 1pgg h ARG 467 Cb 0.05 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1pgg h ARG 467 CO -0.06 -0.06 -0.01 0.87 0.56 0.00 0.00 179.97 181.27 1pgg h LYS 468 N -0.09 0.98 -0.93 0.04 1.57 -1.04 -0.76 116.57 116.34 1pgg h LYS 468 Ca 0.15 -0.32 0.13 0.00 -1.87 0.00 0.00 60.65 58.74 1pgg h LYS 468 Cb 0.32 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.45 1pgg h LYS 468 CO -0.35 0.99 0.55 -0.09 -0.57 0.00 0.00 179.45 179.98 1pgg h ARG 469 N 0.86 0.82 -0.89 3.15 1.12 -0.08 0.27 114.38 119.63 1pgg h ARG 469 Ca 0.15 -0.05 -0.22 0.00 -1.11 0.00 0.00 59.98 58.75 1pgg h ARG 469 Cb 0.56 -0.18 -0.13 0.00 -0.01 0.00 0.00 29.97 30.20 1pgg h ARG 469 CO 0.03 0.54 0.28 1.19 -3.11 0.00 0.00 179.97 178.90 1pgg n PHE 470 N -4.72 1.87 -1.81 2.20 3.01 -0.39 -4.89 117.46 112.72 1pgg n PHE 470 Ca 0.18 -1.08 -0.08 0.00 1.01 0.00 0.00 57.45 57.47 1pgg n PHE 470 Cb 0.38 -0.60 -0.02 0.00 -0.01 0.00 0.00 39.48 39.23 1pgg n PHE 470 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pgg n GLY 471 N -0.23 0.40 3.63 1.37 0.00 0.96 -4.92 105.19 106.40 1pgg n GLY 471 Ca 0.33 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1pgg n GLY 471 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pgg s MET 472 N -3.77 2.17 0.13 1.61 -1.94 -0.35 -4.99 119.30 112.15 1pgg s MET 472 Ca 0.00 -1.57 -0.28 0.00 -1.71 0.00 0.00 55.69 52.12 1pgg s MET 472 Cb 0.00 -2.05 -0.07 0.00 2.01 0.00 0.00 34.83 34.73 1pgg s MET 472 CO 0.00 0.26 0.90 0.21 -0.01 0.00 0.00 175.02 176.38 1pgg s LYS 473 N -3.69 4.67 0.44 2.03 2.47 -1.26 -3.43 119.74 120.97 1pgg s LYS 473 Ca 0.33 1.35 -0.22 0.00 -1.56 0.00 0.00 55.97 55.86 1pgg s LYS 473 Cb -0.04 -3.34 -0.08 0.00 -1.46 0.00 0.00 37.83 32.91 1pgg s LYS 473 CO 0.19 0.33 1.07 -1.25 0.16 0.00 0.00 175.35 175.86 1pgg s PRO 474 N -0.38 3.94 0.36 4.03 0.04 -1.26 -4.86 135.00 136.87 1pgg s PRO 474 Ca 0.43 1.53 -0.28 0.00 0.04 0.00 0.00 61.00 62.71 1pgg s PRO 474 Cb -0.23 -2.36 -0.10 0.00 0.04 0.00 0.00 34.50 31.85 1pgg s PRO 474 CO 0.28 -0.34 1.34 0.71 0.04 0.00 0.00 177.00 179.03 1pgg s TYR 475 N -1.73 2.91 -0.29 0.56 2.02 -1.26 -4.95 117.35 114.60 1pgg s TYR 475 Ca 0.62 1.37 0.23 0.00 -0.37 0.00 0.00 57.07 58.92 1pgg s TYR 475 Cb -0.22 -3.74 -0.02 0.00 -0.40 0.00 0.00 41.96 37.58 1pgg s TYR 475 CO 0.27 -2.12 0.98 0.25 -1.57 0.00 0.00 175.55 173.35 1pgg n THR 476 N 0.58 0.44 -3.45 -0.71 -2.24 -1.26 -4.85 114.28 102.78 1pgg n THR 476 Ca 0.01 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1pgg n THR 476 Cb 0.42 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1pgg n THR 476 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pgg s SER 477 N -4.92 -0.55 0.39 3.42 1.04 -1.26 -4.92 113.70 106.90 1pgg s SER 477 Ca -0.00 0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.55 1pgg s SER 477 Cb 0.11 0.58 0.79 0.00 0.10 0.00 0.00 66.02 67.60 1pgg s SER 477 CO 0.80 -0.92 1.96 -0.26 0.98 0.00 0.00 173.24 175.81 1pgg h PHE 478 N 2.15 0.38 0.00 5.02 0.04 -1.95 -1.74 116.94 120.86 1pgg h PHE 478 Ca -0.33 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.41 1pgg h PHE 478 Cb 1.29 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1pgg h PHE 478 CO 0.26 0.38 0.00 0.00 -0.60 0.00 0.00 178.31 178.34 1pgg n GLN 479 N -4.35 0.08 -0.07 1.51 0.00 -1.26 -1.16 117.38 112.12 1pgg n GLN 479 Ca 0.01 0.41 -0.11 0.00 0.00 0.00 0.00 57.00 57.31 1pgg n GLN 479 Cb 0.19 -1.69 -0.15 0.00 0.00 0.00 0.00 30.24 28.60 1pgg n GLN 479 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1pgg n GLU 480 N -1.84 0.67 0.00 2.61 2.13 -0.67 -3.74 120.64 119.80 1pgg n GLU 480 Ca 0.02 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1pgg n GLU 480 Cb 0.13 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1pgg n GLU 480 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1pgg n LEU 481 N -2.92 0.16 -4.79 4.31 7.94 -0.57 -4.67 117.00 116.46 1pgg n LEU 481 Ca -0.29 0.70 -0.34 0.00 -1.11 0.00 0.00 56.01 54.97 1pgg n LEU 481 Cb 1.11 -0.44 -0.00 0.00 0.53 0.00 0.00 43.42 44.61 1pgg n LEU 481 CO 0.42 -0.44 0.74 0.42 -1.11 0.00 0.00 177.39 177.41 1pgg s THR 482 N -1.84 3.55 -0.40 1.96 -4.23 -0.31 -1.70 115.64 112.67 1pgg s THR 482 Ca 0.00 0.87 0.02 0.00 -1.18 0.00 0.00 61.69 61.40 1pgg s THR 482 Cb 0.00 -3.34 0.19 0.00 1.34 0.00 0.00 72.50 70.69 1pgg s THR 482 CO 0.00 -0.31 1.06 0.61 -0.54 0.00 0.00 174.62 175.45 1pgg n GLY 483 N -0.38 2.33 0.00 3.99 0.00 -1.26 -4.49 105.19 105.37 1pgg n GLY 483 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1pgg n GLY 483 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pgg n GLU 484 N 0.11 0.00 -0.01 1.61 -0.00 -1.25 -5.02 120.64 116.09 1pgg n GLU 484 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.27 1pgg n GLU 484 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 32.10 1pgg n GLU 484 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pgg n LYS 485 N 0.00 3.40 0.17 3.44 4.76 -1.26 -4.31 118.16 124.36 1pgg n LYS 485 Ca 0.00 -0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1pgg n LYS 485 Cb 0.00 -1.06 -0.03 0.00 -1.84 0.00 0.00 35.03 32.10 1pgg n LYS 485 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1pgg h GLU 486 N 0.00 -0.43 -0.59 1.97 4.81 -1.99 -1.36 114.58 116.98 1pgg h GLU 486 Ca -0.06 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1pgg h GLU 486 Cb 1.14 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1pgg h GLU 486 CO 0.00 -0.29 0.36 0.52 -0.73 0.00 0.00 179.01 178.87 1pgg h MET 487 N -0.58 0.80 -0.56 1.92 2.86 -2.00 -2.66 114.93 114.72 1pgg h MET 487 Ca -0.05 -0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.63 1pgg h MET 487 Cb 0.34 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 31.74 1pgg h MET 487 CO 0.08 0.58 0.00 0.00 1.06 0.00 0.00 176.91 178.62 1pgg h ALA 488 N 1.18 0.54 -0.96 6.32 0.00 -1.80 0.20 119.26 124.73 1pgg h ALA 488 Ca 0.21 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1pgg h ALA 488 Cb -0.02 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1pgg h ALA 488 CO -0.04 -0.39 0.62 0.00 0.00 0.00 0.00 179.25 179.44 1pgg h ALA 489 N 1.50 1.30 0.13 0.00 0.00 -0.89 0.13 119.26 121.44 1pgg h ALA 489 Ca 0.29 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.88 1pgg h ALA 489 Cb 0.44 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pgg h ALA 489 CO -0.47 0.44 -1.24 1.49 0.00 0.00 0.00 179.25 179.47 1pgg h GLU 490 N 1.16 0.40 -0.92 0.00 4.81 -1.08 -2.80 114.58 116.15 1pgg h GLU 490 Ca 0.40 -0.61 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1pgg h GLU 490 Cb 0.09 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1pgg h GLU 490 CO -0.15 1.27 0.60 -0.07 -0.73 0.00 0.00 179.01 179.93 1pgg h LEU 491 N 0.14 1.07 -0.40 1.64 3.38 -0.26 -1.52 115.31 119.37 1pgg h LEU 491 Ca -0.16 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.81 1pgg h LEU 491 Cb 1.94 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 1pgg h LEU 491 CO 0.22 0.78 0.18 -0.08 0.09 0.00 0.00 178.44 179.63 1pgg h GLU 492 N 1.25 0.36 0.00 1.13 4.81 -0.90 0.27 114.58 121.50 1pgg h GLU 492 Ca 0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1pgg h GLU 492 Cb -0.12 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.18 1pgg h GLU 492 CO -0.07 0.24 0.00 1.05 -0.73 0.00 0.00 179.01 179.50 1pgg h GLU 493 N 0.37 0.00 0.00 1.92 4.11 -1.16 0.27 114.58 120.08 1pgg h GLU 493 Ca 0.17 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.47 1pgg h GLU 493 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1pgg h GLU 493 CO -0.14 0.00 -0.74 -0.07 0.07 0.00 0.00 179.01 178.12 1pgg h LEU 494 N 0.00 0.00 0.15 3.06 3.38 -0.19 -3.40 115.31 118.32 1pgg h LEU 494 Ca 0.00 -0.65 -0.29 0.00 0.09 0.00 0.00 57.88 57.03 1pgg h LEU 494 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1pgg h LEU 494 CO 0.00 1.26 -1.36 1.88 0.09 0.00 0.00 178.44 180.31 1pgg h TYR 495 N -1.00 0.59 0.00 1.13 0.05 -0.49 -3.42 116.97 113.83 1pgg h TYR 495 Ca -0.20 -0.43 0.00 0.00 0.05 0.00 0.00 58.73 58.15 1pgg h TYR 495 Cb 1.12 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1pgg h TYR 495 CO 0.15 1.36 0.00 0.41 -1.05 0.00 0.00 178.16 179.03 1pgg n GLY 496 N 1.60 2.47 3.20 3.88 0.00 0.93 -3.38 105.19 113.90 1pgg n GLY 496 Ca -0.12 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 1pgg n GLY 496 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pgg s ASP 497 N 0.00 1.98 0.30 1.61 -1.08 -1.26 -4.92 116.67 113.30 1pgg s ASP 497 Ca 0.00 -0.58 0.11 0.00 -0.52 0.00 0.00 52.55 51.56 1pgg s ASP 497 Cb 0.00 -0.10 0.47 0.00 -1.46 0.00 0.00 42.92 41.83 1pgg s ASP 497 CO 0.00 0.01 1.68 -0.29 0.52 0.00 0.00 175.17 177.09 1pgg h ILE 498 N 4.30 1.38 0.00 4.11 6.09 -1.91 -1.27 117.51 130.21 1pgg h ILE 498 Ca -0.42 -1.86 0.00 0.00 -1.37 0.00 0.00 64.86 61.22 1pgg h ILE 498 Cb 1.18 2.00 0.00 0.00 0.47 0.00 0.00 36.82 40.48 1pgg h ILE 498 CO 0.41 0.53 0.00 0.47 -3.07 0.00 0.00 178.15 176.49 1pgg n ASP 499 N -3.89 0.00 -0.02 2.19 8.00 -1.26 -0.71 116.55 120.87 1pgg n ASP 499 Ca -0.01 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1pgg n ASP 499 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1pgg n ASP 499 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pgg n ALA 500 N -0.73 2.49 -1.80 2.24 0.00 -0.49 -4.82 120.51 117.41 1pgg n ALA 500 Ca 0.07 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 1pgg n ALA 500 Cb 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 1pgg n ALA 500 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pgg s LEU 501 N -0.06 4.39 0.83 0.00 2.96 0.11 -4.88 118.68 122.04 1pgg s LEU 501 Ca 0.01 2.53 -0.12 0.00 -0.22 0.00 0.00 54.13 56.33 1pgg s LEU 501 Cb 0.00 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.25 1pgg s LEU 501 CO 0.01 -1.00 1.15 -1.61 -1.32 0.00 0.00 176.35 173.58 1pgg s GLU 502 N 4.09 1.62 0.00 1.98 2.02 -1.26 -0.46 118.70 126.69 1pgg s GLU 502 Ca 0.82 1.52 0.00 0.00 0.02 0.00 0.00 54.97 57.33 1pgg s GLU 502 Cb -0.40 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1pgg s GLU 502 CO 0.37 -2.18 0.70 0.34 0.02 0.00 0.00 175.26 174.51 1pgg n PHE 503 N -3.64 0.00 -0.16 1.61 7.35 -1.26 -1.36 117.46 120.01 1pgg n PHE 503 Ca 0.12 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.72 1pgg n PHE 503 Cb 0.52 -0.20 -0.04 0.00 0.35 0.00 0.00 39.48 40.11 1pgg n PHE 503 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1pgg h TYR 504 N 0.00 -1.20 -0.49 -5.13 3.20 -1.95 -0.31 116.97 111.09 1pgg h TYR 504 Ca 0.00 0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.00 1pgg h TYR 504 Cb 0.00 0.59 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 1pgg h TYR 504 CO -0.09 -0.43 0.19 -1.35 -1.64 0.00 0.00 178.16 174.84 1pgg h PRO 505 N -0.28 0.37 -0.95 1.82 0.11 -1.97 -0.92 132.00 130.18 1pgg h PRO 505 Ca 0.16 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.42 1pgg h PRO 505 Cb 0.57 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.52 1pgg h PRO 505 CO -0.61 0.24 0.60 0.78 -0.21 0.00 0.00 178.00 178.80 1pgg h GLY 506 N 0.38 1.38 1.19 -0.55 0.00 0.11 0.88 103.07 106.45 1pgg h GLY 506 Ca 0.23 -0.31 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 1pgg h GLY 506 CO -0.22 0.03 -0.41 1.41 0.00 0.00 0.00 176.54 177.35 1pgg h LEU 507 N 0.69 0.95 0.00 3.11 3.38 0.18 -2.70 115.31 120.92 1pgg h LEU 507 Ca 0.50 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pgg h LEU 507 Cb 0.86 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1pgg h LEU 507 CO -0.26 1.23 -0.89 0.18 0.09 0.00 0.00 178.44 178.78 1pgg n LEU 508 N -4.05 0.68 0.01 1.67 4.77 -0.61 -4.25 117.00 115.22 1pgg n LEU 508 Ca -0.02 0.15 0.10 0.00 -0.03 0.00 0.00 56.01 56.21 1pgg n LEU 508 Cb 0.55 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 1pgg n LEU 508 CO 0.48 -0.05 -0.59 0.18 -1.33 0.00 0.00 177.39 176.09 1pgg n LEU 509 N -2.18 0.22 -4.71 2.23 4.77 0.25 -2.45 117.00 115.13 1pgg n LEU 509 Ca 0.02 0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.73 1pgg n LEU 509 Cb 0.47 0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.67 1pgg n LEU 509 CO 0.39 -0.01 0.83 1.21 -1.33 0.00 0.00 177.39 178.48 1pgg n GLU 510 N -2.40 0.64 -2.24 3.23 2.13 -1.02 -4.33 120.64 116.65 1pgg n GLU 510 Ca -0.05 0.29 -0.41 0.00 0.66 0.00 0.00 57.16 57.65 1pgg n GLU 510 Cb 0.61 -2.49 -0.03 0.00 0.27 0.00 0.00 31.44 29.80 1pgg n GLU 510 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1pgg s LYS 511 N -3.75 4.43 0.66 5.31 -2.85 -0.69 -3.60 119.74 119.26 1pgg s LYS 511 Ca 0.78 2.06 -0.13 0.00 -1.00 0.00 0.00 55.97 57.68 1pgg s LYS 511 Cb -0.34 -3.15 -0.01 0.00 -2.06 0.00 0.00 37.83 32.28 1pgg s LYS 511 CO 0.46 -0.13 1.06 0.00 0.10 0.00 0.00 175.35 176.84 1pgg s HIS 513 N -2.77 3.50 0.00 0.00 0.09 -1.16 -4.89 115.29 110.06 1pgg s HIS 513 Ca 0.61 1.63 0.00 0.00 -0.00 0.00 0.00 55.06 57.29 1pgg s HIS 513 Cb -0.15 -2.83 0.00 0.00 -0.00 0.00 0.00 32.58 29.60 1pgg s HIS 513 CO 0.47 0.08 0.00 -2.30 -0.00 0.00 0.00 174.74 172.99 1pgg n PRO 514 N 0.00 0.00 -2.21 8.40 -0.02 -1.26 0.43 135.00 140.34 1pgg n PRO 514 Ca 0.04 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.24 1pgg n PRO 514 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.02 1pgg n PRO 514 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pgg n ASN 515 N 0.00 5.22 -4.95 2.55 4.13 -1.26 -5.07 115.26 115.89 1pgg n ASN 515 Ca 0.00 -3.75 -0.23 0.00 1.68 0.00 0.00 54.58 52.28 1pgg n ASN 515 Cb 0.00 -0.51 -0.00 0.00 -1.54 0.00 0.00 39.78 37.73 1pgg n ASN 515 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1pgg s SER 516 N -3.23 6.10 0.23 6.41 0.01 0.17 -3.99 113.70 119.39 1pgg s SER 516 Ca 0.50 0.38 0.12 0.00 1.31 0.00 0.00 55.95 58.26 1pgg s SER 516 Cb 0.41 -1.81 0.12 0.00 0.21 0.00 0.00 66.02 64.95 1pgg s SER 516 CO -0.13 -0.48 1.46 -0.29 0.41 0.00 0.00 173.24 174.22 1pgg h ILE 517 N 0.59 1.32 -2.39 1.44 2.10 -1.89 -3.43 117.51 115.26 1pgg h ILE 517 Ca -0.48 -2.55 -0.01 0.00 1.08 0.00 0.00 64.86 62.89 1pgg h ILE 517 Cb 1.23 2.45 0.00 0.00 -1.09 0.00 0.00 36.82 39.42 1pgg h ILE 517 CO 0.59 0.68 0.11 2.22 -1.08 0.00 0.00 178.15 180.68 1pgg n PHE 518 N -3.44 -1.53 -4.36 2.19 1.16 -1.26 0.04 117.46 110.26 1pgg n PHE 518 Ca 0.00 -0.72 -0.29 0.00 -1.87 0.00 0.00 57.45 54.56 1pgg n PHE 518 Cb 0.75 0.36 -0.05 0.00 -1.61 0.00 0.00 39.48 38.93 1pgg n PHE 518 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1pgg s GLY 519 N -1.80 2.69 0.00 4.97 0.00 -1.26 -3.01 107.32 108.90 1pgg s GLY 519 Ca 0.06 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1pgg s GLY 519 CO 0.05 -2.07 0.15 -2.21 0.00 0.00 0.00 173.10 169.02 1pgg n GLU 520 N -1.44 0.00 -0.33 2.90 2.13 -1.26 -1.23 120.64 121.41 1pgg n GLU 520 Ca -0.10 0.15 0.05 0.00 0.66 0.00 0.00 57.16 57.92 1pgg n GLU 520 Cb 0.66 -0.26 0.14 0.00 0.27 0.00 0.00 31.44 32.24 1pgg n GLU 520 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1pgg h SER 521 N 0.00 -0.84 -0.27 4.31 0.02 -1.95 0.43 113.55 115.25 1pgg h SER 521 Ca 0.00 0.28 0.06 0.00 -0.84 0.00 0.00 61.79 61.29 1pgg h SER 521 Cb 0.00 0.57 -0.08 0.00 0.14 0.00 0.00 62.40 63.03 1pgg h SER 521 CO 0.00 -0.31 -0.37 -0.03 -1.14 0.00 0.00 176.83 174.98 1pgg h MET 522 N 0.00 -0.35 0.15 3.45 1.85 -1.47 0.73 114.93 119.29 1pgg h MET 522 Ca 0.46 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.57 1pgg h MET 522 Cb 0.72 0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.83 1pgg h MET 522 CO -0.96 -0.23 -0.07 0.82 -0.40 0.00 0.00 176.91 176.07 1pgg h ILE 523 N -0.36 0.96 0.00 1.77 2.04 -0.74 1.81 117.51 122.99 1pgg h ILE 523 Ca 0.12 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1pgg h ILE 523 Cb 0.57 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1pgg h ILE 523 CO -0.47 0.12 0.00 -0.62 0.00 0.00 0.00 178.15 177.18 1pgg n GLU 524 N -5.07 0.02 -0.01 2.37 -0.58 0.13 -1.35 120.64 116.15 1pgg n GLU 524 Ca -0.09 0.26 -0.01 0.00 -0.42 0.00 0.00 57.16 56.90 1pgg n GLU 524 Cb 0.19 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 1pgg n GLU 524 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1pgg n MET 525 N -1.47 3.45 0.19 3.49 2.81 0.21 -4.75 117.12 121.05 1pgg n MET 525 Ca 0.04 -0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 1pgg n MET 525 Cb 0.15 -1.05 -0.07 0.00 -0.71 0.00 0.00 33.22 31.54 1pgg n MET 525 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1pgg h GLY 526 N 0.38 -0.54 0.56 3.03 0.00 0.32 -3.33 103.07 103.49 1pgg h GLY 526 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1pgg h GLY 526 CO 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 176.54 176.40 1pgg h ALA 527 N -0.63 0.35 -2.49 3.60 0.00 -1.39 -1.21 119.26 117.50 1pgg h ALA 527 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pgg h ALA 527 Cb 0.54 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1pgg h ALA 527 CO 0.09 -0.35 0.00 -2.30 0.00 0.00 0.00 179.25 176.68 1pgg n PRO 528 N -5.11 0.00 -0.33 0.00 -0.02 -1.26 0.13 135.00 128.41 1pgg n PRO 528 Ca 0.01 0.38 0.21 0.00 -2.02 0.00 0.00 63.50 62.08 1pgg n PRO 528 Cb 0.16 -1.09 0.40 0.00 -0.02 0.00 0.00 33.50 32.96 1pgg n PRO 528 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1pgg h PHE 529 N 0.00 0.41 0.00 6.00 0.04 -1.66 0.25 116.94 121.97 1pgg h PHE 529 Ca 0.00 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1pgg h PHE 529 Cb 0.00 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1pgg h PHE 529 CO -0.08 -0.38 0.00 0.45 -0.60 0.00 0.00 178.31 177.71 1pgg n SER 530 N -5.32 0.00 -0.06 2.17 2.88 0.35 -1.39 113.62 112.25 1pgg n SER 530 Ca 0.28 -0.18 -0.13 0.00 -1.33 0.00 0.00 58.87 57.50 1pgg n SER 530 Cb 0.93 -0.24 -0.05 0.00 -0.75 0.00 0.00 64.21 64.11 1pgg n SER 530 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1pgg n LEU 531 N -1.24 0.97 -0.31 2.46 4.77 0.35 -4.32 117.00 119.67 1pgg n LEU 531 Ca 0.13 0.15 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1pgg n LEU 531 Cb 0.18 -0.37 0.29 0.00 -2.33 0.00 0.00 43.42 41.18 1pgg n LEU 531 CO 0.18 0.28 1.11 0.50 -1.33 0.00 0.00 177.39 178.12 1pgg h LYS 532 N -0.44 0.55 -0.10 3.23 1.63 -1.39 0.57 116.57 120.63 1pgg h LYS 532 Ca -0.32 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.48 1pgg h LYS 532 Cb 1.29 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1pgg h LYS 532 CO -0.19 0.37 0.07 0.78 -3.45 0.00 0.00 179.45 177.03 1pgg h GLY 533 N 0.57 0.00 0.00 5.01 0.00 -1.42 -1.15 103.07 106.08 1pgg h GLY 533 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1pgg h GLY 533 CO -0.43 0.00 -0.55 1.04 0.00 0.00 0.00 176.54 176.60 1pgg n LEU 534 N -4.45 1.67 0.20 3.11 4.32 0.18 -4.24 117.00 117.77 1pgg n LEU 534 Ca -0.01 0.54 0.12 0.00 -0.02 0.00 0.00 56.01 56.64 1pgg n LEU 534 Cb 0.19 -0.81 0.62 0.00 -1.62 0.00 0.00 43.42 41.80 1pgg n LEU 534 CO 0.34 -0.44 0.89 -0.07 -1.22 0.00 0.00 177.39 176.88 1pgg h LEU 535 N -0.91 0.00 -1.30 2.23 -0.00 -1.01 -0.70 115.31 113.61 1pgg h LEU 535 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1pgg h LEU 535 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1pgg h LEU 535 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 1pgg n GLY 536 N -1.26 0.62 3.79 0.83 0.00 -0.44 -4.66 105.19 104.07 1pgg n GLY 536 Ca -0.02 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1pgg n GLY 536 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pgg s ASN 537 N -1.16 6.32 0.48 1.61 3.84 -0.27 -2.07 114.94 123.69 1pgg s ASN 537 Ca 0.27 2.04 0.14 0.00 0.21 0.00 0.00 52.86 55.51 1pgg s ASN 537 Cb 0.14 -2.57 1.14 0.00 -0.55 0.00 0.00 41.25 39.41 1pgg s ASN 537 CO 0.20 -0.80 2.11 1.55 -2.79 0.00 0.00 177.10 177.36 1pgg h PRO 538 N 1.77 0.14 0.00 0.43 0.13 -1.90 -2.13 132.00 130.44 1pgg h PRO 538 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1pgg h PRO 538 Cb 1.23 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pgg h PRO 538 CO 0.60 0.11 0.00 -0.84 -0.23 0.00 0.00 178.00 177.63 1pgg h ILE 539 N 0.14 0.00 -0.00 -3.56 3.07 -1.94 -1.48 117.51 113.74 1pgg h ILE 539 Ca 0.04 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 66.31 1pgg h ILE 539 Cb 0.02 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 37.42 1pgg h ILE 539 CO -0.01 0.00 -0.15 0.00 -1.05 0.00 0.00 178.15 176.94 1pgg s SER 541 N -2.49 5.83 0.47 0.00 1.04 -0.56 -4.80 113.70 113.19 1pgg s SER 541 Ca 0.27 1.84 0.12 0.00 0.48 0.00 0.00 55.95 58.67 1pgg s SER 541 Cb 0.20 -2.54 1.08 0.00 0.10 0.00 0.00 66.02 64.86 1pgg s SER 541 CO 0.49 -1.13 2.09 -0.65 0.98 0.00 0.00 173.24 175.01 1pgg h PRO 542 N 0.56 0.26 -0.68 4.02 0.11 -1.89 0.83 132.00 135.21 1pgg h PRO 542 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pgg h PRO 542 Cb 1.22 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1pgg h PRO 542 CO 0.57 0.18 0.42 1.49 -0.21 0.00 0.00 178.00 180.45 1pgg h GLU 543 N 0.27 0.91 0.00 1.05 4.57 -1.92 -3.27 114.58 116.20 1pgg h GLU 543 Ca 0.10 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1pgg h GLU 543 Cb 0.07 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1pgg h GLU 543 CO -0.02 0.63 -2.00 0.66 -1.18 0.00 0.00 179.01 177.10 1pgg n TYR 544 N -4.41 0.00 -2.22 0.92 4.02 -0.54 -4.77 117.16 110.16 1pgg n TYR 544 Ca 0.07 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.58 1pgg n TYR 544 Cb 0.06 -0.61 -0.02 0.00 -0.02 0.00 0.00 39.34 38.75 1pgg n TYR 544 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1pgg n TRP 545 N -2.36 3.73 -3.87 -0.72 -0.00 0.18 -4.62 117.44 109.77 1pgg n TRP 545 Ca -0.14 -2.34 -0.11 0.00 -0.00 0.00 0.00 57.50 54.90 1pgg n TRP 545 Cb 0.74 -2.56 -0.11 0.00 -0.00 0.00 0.00 31.31 29.37 1pgg n TRP 545 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1pgg s LYS 546 N 4.89 0.29 0.54 5.87 1.02 -1.26 -4.92 119.74 126.17 1pgg s LYS 546 Ca 0.58 -0.16 0.22 0.00 0.02 0.00 0.00 55.97 56.63 1pgg s LYS 546 Cb 0.04 0.12 1.44 0.00 -0.52 0.00 0.00 37.83 38.91 1pgg s LYS 546 CO 0.08 -0.06 2.11 0.00 -0.92 0.00 0.00 175.35 176.57 1pgg h ALA 547 N 5.14 2.05 0.00 5.17 0.00 -1.90 -0.83 119.26 128.90 1pgg h ALA 547 Ca -0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1pgg h ALA 547 Cb 1.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1pgg h ALA 547 CO 0.42 -0.23 -0.30 0.66 0.00 0.00 0.00 179.25 179.80 1pgg h SER 548 N 0.00 0.00 0.14 0.00 4.64 -1.93 -0.14 113.55 116.27 1pgg h SER 548 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1pgg h SER 548 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1pgg h SER 548 CO -0.00 0.30 -0.13 0.74 -0.87 0.00 0.00 176.83 176.86 1pgg h THR 549 N 0.00 1.05 -0.52 2.95 2.02 -1.40 -2.09 112.91 114.92 1pgg h THR 549 Ca -0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1pgg h THR 549 Cb 0.71 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1pgg h THR 549 CO 0.04 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.55 1pgg n PHE 550 N -4.32 1.41 -0.91 3.16 3.72 -0.97 -4.89 117.46 114.66 1pgg n PHE 550 Ca -0.03 -0.68 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 1pgg n PHE 550 Cb 0.20 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1pgg n PHE 550 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pgg n GLY 551 N 0.62 0.52 0.00 1.37 0.00 -0.79 -3.72 105.19 103.18 1pgg n GLY 551 Ca 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1pgg n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pgg n GLY 552 N -2.91 0.28 0.36 -0.02 0.00 -0.10 -4.74 105.19 98.05 1pgg n GLY 552 Ca 0.00 -2.30 0.15 0.00 0.00 0.00 0.00 46.02 43.86 1pgg n GLY 552 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pgg h GLU 553 N 8.05 0.67 0.46 1.61 4.57 -1.91 -1.66 114.58 126.37 1pgg h GLU 553 Ca 0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1pgg h GLU 553 Cb 0.00 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1pgg h GLU 553 CO 0.00 0.44 -0.25 -0.39 -1.18 0.00 0.00 179.01 177.63 1pgg h VAL 554 N 0.69 0.48 -0.51 0.32 -1.51 -1.90 0.35 116.25 114.16 1pgg h VAL 554 Ca 0.59 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 66.06 1pgg h VAL 554 Cb 1.02 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 30.63 1pgg h VAL 554 CO -0.40 0.00 0.31 1.23 -1.23 0.00 0.00 177.57 177.48 1pgg h GLY 555 N -0.66 0.74 0.58 5.19 0.00 -1.57 -1.70 103.07 105.65 1pgg h GLY 555 Ca -0.06 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.05 1pgg h GLY 555 CO 0.07 0.30 0.47 -2.75 0.00 0.00 0.00 176.54 174.63 1pgg h PHE 556 N 0.69 0.86 -0.18 5.60 3.57 -0.89 -0.16 116.94 126.43 1pgg h PHE 556 Ca 0.18 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.55 1pgg h PHE 556 Cb -0.01 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1pgg h PHE 556 CO -0.03 0.37 -0.57 -0.91 -2.23 0.00 0.00 178.31 174.95 1pgg h ASN 557 N 0.81 0.62 -0.45 0.41 2.35 0.01 0.10 115.58 119.42 1pgg h ASN 557 Ca 0.38 -0.34 0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1pgg h ASN 557 Cb 0.30 -0.18 -0.09 0.00 0.05 0.00 0.00 38.32 38.40 1pgg h ASN 557 CO -0.22 1.05 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.36 1pgg h LEU 558 N 0.42 -0.63 0.89 1.61 3.38 -0.14 0.80 115.31 121.64 1pgg h LEU 558 Ca 0.00 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1pgg h LEU 558 Cb 1.12 0.36 0.01 0.00 0.09 0.00 0.00 40.66 42.24 1pgg h LEU 558 CO 0.11 -0.21 -0.43 0.58 0.09 0.00 0.00 178.44 178.57 1pgg h VAL 559 N -0.08 0.06 -0.28 1.22 2.07 -0.77 -1.36 116.25 117.11 1pgg h VAL 559 Ca 0.22 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.74 1pgg h VAL 559 Cb 0.42 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1pgg h VAL 559 CO -0.51 0.00 0.47 0.11 0.02 0.00 0.00 177.57 177.66 1pgg h LYS 560 N -1.27 0.00 0.00 1.57 1.57 0.13 -2.16 116.57 116.42 1pgg h LYS 560 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1pgg h LYS 560 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1pgg h LYS 560 CO 0.20 0.00 -0.02 0.25 -0.57 0.00 0.00 179.45 179.31 1pgg n THR 561 N -3.33 1.16 -1.40 -0.16 -2.24 0.26 -5.05 114.28 103.52 1pgg n THR 561 Ca 0.04 -1.29 -0.38 0.00 -2.27 0.00 0.00 64.05 60.16 1pgg n THR 561 Cb 0.60 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 69.16 1pgg n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pgg n ALA 562 N -0.74 -1.64 -3.61 6.98 0.00 -0.53 -5.00 120.51 115.97 1pgg n ALA 562 Ca 0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1pgg n ALA 562 Cb 0.42 -1.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.08 1pgg n ALA 562 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pgg s THR 563 N -1.79 0.00 0.17 0.00 2.01 -1.26 -4.70 115.64 110.07 1pgg s THR 563 Ca 0.66 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.49 1pgg s THR 563 Cb -0.45 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.18 1pgg s THR 563 CO 0.57 0.00 1.65 0.25 -0.69 0.00 0.00 174.62 176.40 1pgg h LEU 564 N 4.30 -0.50 -0.50 4.42 6.46 -1.95 0.14 115.31 127.69 1pgg h LEU 564 Ca -0.28 0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.65 1pgg h LEU 564 Cb 1.16 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 41.36 1pgg h LEU 564 CO 0.15 -0.17 0.30 0.50 -0.62 0.00 0.00 178.44 178.59 1pgg h LYS 565 N -0.04 0.58 -0.70 1.25 3.64 -1.98 -1.68 116.57 117.65 1pgg h LYS 565 Ca 0.21 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1pgg h LYS 565 Cb 0.36 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1pgg h LYS 565 CO -0.47 0.38 0.32 0.87 -2.27 0.00 0.00 179.45 178.29 1pgg h LYS 566 N 0.59 1.01 -0.36 1.90 1.57 -1.76 0.36 116.57 119.88 1pgg h LYS 566 Ca 0.20 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1pgg h LYS 566 Cb 0.02 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1pgg h LYS 566 CO -0.09 0.81 0.16 1.25 -0.57 0.00 0.00 179.45 181.00 1pgg h LEU 567 N 0.97 0.21 0.09 2.94 5.85 -0.38 -0.39 115.31 124.61 1pgg h LEU 567 Ca 0.24 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1pgg h LEU 567 Cb 0.14 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1pgg h LEU 567 CO -0.03 0.16 -0.04 0.58 -0.34 0.00 0.00 178.44 178.77 1pgg h VAL 568 N 0.33 0.33 -0.48 1.05 2.07 -0.97 -3.37 116.25 115.21 1pgg h VAL 568 Ca 0.16 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1pgg h VAL 568 Cb 0.09 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1pgg h VAL 568 CO -0.13 0.10 0.32 0.00 0.02 0.00 0.00 177.57 177.88 1pgg n LEU 570 N -4.47 0.00 -0.17 0.00 4.32 -0.16 -2.46 117.00 114.07 1pgg n LEU 570 Ca 0.05 0.05 0.07 0.00 -0.02 0.00 0.00 56.01 56.16 1pgg n LEU 570 Cb 0.09 -0.05 0.09 0.00 -1.62 0.00 0.00 43.42 41.92 1pgg n LEU 570 CO 0.35 -0.01 0.48 0.59 -1.22 0.00 0.00 177.39 177.58 1pgg n ASN 571 N -1.05 1.70 -3.88 -1.43 3.02 -0.10 -5.05 115.26 108.47 1pgg n ASN 571 Ca 0.17 -2.70 -0.11 0.00 -0.03 0.00 0.00 54.58 51.91 1pgg n ASN 571 Cb 0.10 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.81 1pgg n ASN 571 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1pgg s THR 572 N -1.98 0.03 0.39 3.41 -4.23 -1.03 -5.04 115.64 107.20 1pgg s THR 572 Ca 0.21 -0.24 0.14 0.00 -1.18 0.00 0.00 61.69 60.62 1pgg s THR 572 Cb 0.19 -0.16 0.36 0.00 1.34 0.00 0.00 72.50 74.22 1pgg s THR 572 CO 0.02 -0.13 1.86 0.11 -0.54 0.00 0.00 174.62 175.94 1pgg h LYS 573 N 5.61 0.49 -4.95 3.99 1.79 -1.94 -3.42 116.57 118.16 1pgg h LYS 573 Ca -0.26 -0.03 -0.30 0.00 -2.18 0.00 0.00 60.65 57.87 1pgg h LYS 573 Cb 1.21 -0.11 -0.15 0.00 -1.58 0.00 0.00 32.23 31.60 1pgg h LYS 573 CO 0.45 0.33 -0.70 0.95 -1.08 0.00 0.00 179.45 179.40 1pgg s THR 574 N -5.52 1.00 -0.35 -0.16 -4.23 -1.26 -5.13 115.64 99.99 1pgg s THR 574 Ca -0.09 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.39 1pgg s THR 574 Cb 0.22 -1.89 0.08 0.00 1.34 0.00 0.00 72.50 72.26 1pgg s THR 574 CO 0.78 -0.70 0.08 0.00 -0.54 0.00 0.00 174.62 174.24 1pgg s PRO 576 N 1.14 0.08 0.01 0.00 0.04 -1.26 -4.94 135.00 130.06 1pgg s PRO 576 Ca 0.03 -0.17 -0.30 0.00 0.04 0.00 0.00 61.00 60.60 1pgg s PRO 576 Cb -0.21 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1pgg s PRO 576 CO -0.04 -2.83 1.69 -0.47 0.04 0.00 0.00 177.00 175.39 1pgg s TYR 577 N -3.48 2.08 -0.13 0.56 5.04 -1.26 -4.95 117.35 115.22 1pgg s TYR 577 Ca 0.71 0.17 -0.02 0.00 -2.44 0.00 0.00 57.07 55.49 1pgg s TYR 577 Cb -0.08 -3.97 0.04 0.00 0.35 0.00 0.00 41.96 38.31 1pgg s TYR 577 CO 0.54 -4.04 0.03 0.54 -1.34 0.00 0.00 175.55 171.28 1pgg s VAL 578 N 3.50 0.32 0.21 3.14 0.11 -1.26 -4.04 120.40 122.38 1pgg s VAL 578 Ca 0.75 -0.14 -0.23 0.00 -2.93 0.00 0.00 61.98 59.44 1pgg s VAL 578 Cb -0.37 -0.69 0.05 0.00 -1.53 0.00 0.00 36.38 33.84 1pgg s VAL 578 CO 0.32 0.01 0.75 -0.55 -3.33 0.00 0.00 175.10 172.30 1pgg s SER 579 N 1.97 -0.32 0.00 3.54 0.15 -1.26 -4.72 113.70 113.07 1pgg s SER 579 Ca 0.02 -0.40 0.24 0.00 0.70 0.00 0.00 55.95 56.52 1pgg s SER 579 Cb -0.14 0.63 0.37 0.00 -1.71 0.00 0.00 66.02 65.17 1pgg s SER 579 CO -0.07 -1.13 1.32 0.49 1.20 0.00 0.00 173.24 175.06 1pgg n PHE 580 N -0.43 0.00 -4.66 3.44 3.72 -1.26 -4.56 117.46 113.71 1pgg n PHE 580 Ca -0.07 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.99 1pgg n PHE 580 Cb 0.61 -0.09 -0.11 0.00 -0.94 0.00 0.00 39.48 38.94 1pgg n PHE 580 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1pgg s HIS 581 N -2.64 2.91 0.47 1.38 2.46 -1.26 -3.08 115.29 115.53 1pgg s HIS 581 Ca 0.18 -0.01 -0.23 0.00 0.47 0.00 0.00 55.06 55.48 1pgg s HIS 581 Cb 0.18 -1.70 -0.07 0.00 -0.13 0.00 0.00 32.58 30.86 1pgg s HIS 581 CO 0.61 0.31 1.20 0.54 -2.47 0.00 0.00 174.74 174.93 1pgg s VAL 582 N -0.78 2.91 -1.71 0.89 0.11 0.21 -4.84 120.40 117.20 1pgg s VAL 582 Ca 0.12 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 59.86 1pgg s VAL 582 Cb -0.11 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1pgg s VAL 582 CO 0.01 0.00 0.43 -0.81 -3.33 0.00 0.00 175.10 171.40