#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqp s GLU 2 N 0.00 0.58 0.06 -2.82 2.02 -1.26 -5.15 118.70 112.14 1bqp s GLU 2 Ca 0.00 -0.00 0.05 0.00 0.02 0.00 0.00 54.97 55.04 1bqp s GLU 2 Cb 0.00 -0.71 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 1bqp s GLU 2 CO 0.00 -0.13 -0.13 0.95 0.02 0.00 0.00 175.26 175.96 1bqp s THR 3 N 1.10 1.05 -0.04 3.63 -4.23 -1.26 -5.04 115.64 110.84 1bqp s THR 3 Ca -0.08 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1bqp s THR 3 Cb -0.14 -1.01 0.02 0.00 1.34 0.00 0.00 72.50 72.72 1bqp s THR 3 CO -0.01 -0.20 -0.03 -0.89 -0.54 0.00 0.00 174.62 172.94 1bqp s THR 4 N -1.21 0.44 0.02 3.99 2.01 -1.26 -5.10 115.64 114.53 1bqp s THR 4 Ca -0.02 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 1bqp s THR 4 Cb -0.10 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1bqp s THR 4 CO 0.02 0.21 0.09 -0.44 -0.69 0.00 0.00 174.62 173.81 1bqp s SER 5 N 0.97 0.12 0.08 3.53 0.01 -1.26 -5.10 113.70 112.05 1bqp s SER 5 Ca -0.10 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.52 1bqp s SER 5 Cb -0.14 0.19 0.08 0.00 0.21 0.00 0.00 66.02 66.36 1bqp s SER 5 CO -0.00 -0.41 0.68 0.72 0.41 0.00 0.00 173.24 174.64 1bqp s PHE 6 N -1.86 -0.51 -0.14 2.43 -0.71 -1.26 -5.16 117.98 110.78 1bqp s PHE 6 Ca -0.11 0.43 -0.06 0.00 -1.04 0.00 0.00 56.93 56.15 1bqp s PHE 6 Cb -0.06 0.53 0.06 0.00 -1.21 0.00 0.00 43.02 42.34 1bqp s PHE 6 CO -0.01 -0.73 0.31 -1.17 -1.34 0.00 0.00 175.22 172.28 1bqp s LEU 7 N -2.41 -0.01 -0.26 -1.99 2.96 -1.26 -5.10 118.68 110.61 1bqp s LEU 7 Ca -0.00 0.69 -0.00 0.00 -0.22 0.00 0.00 54.13 54.60 1bqp s LEU 7 Cb -0.01 0.96 0.08 0.00 0.50 0.00 0.00 46.19 47.72 1bqp s LEU 7 CO -0.08 -0.20 0.03 -0.63 -1.32 0.00 0.00 176.35 174.15 1bqp s ILE 8 N 1.72 1.10 -0.81 6.68 1.01 -1.26 -4.98 121.20 124.65 1bqp s ILE 8 Ca -0.06 -1.22 0.25 0.00 0.00 0.00 0.00 60.65 59.62 1bqp s ILE 8 Cb -0.10 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.75 1bqp s ILE 8 CO -0.10 -0.39 1.35 0.35 0.00 0.00 0.00 174.94 176.15 1bqp n THR 9 N 4.80 0.16 -3.65 2.92 -2.24 -1.26 -4.83 114.28 110.18 1bqp n THR 9 Ca -0.06 -0.14 -0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1bqp n THR 9 Cb 0.44 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 1bqp n THR 9 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1bqp s LYS 10 N -3.09 0.56 0.63 -0.78 2.47 -1.26 -5.11 119.74 113.16 1bqp s LYS 10 Ca 0.08 1.36 -0.14 0.00 -1.56 0.00 0.00 55.97 55.71 1bqp s LYS 10 Cb 0.16 0.69 -0.02 0.00 -1.46 0.00 0.00 37.83 37.19 1bqp s LYS 10 CO 0.71 -0.20 1.06 -0.06 0.16 0.00 0.00 175.35 177.02 1bqp s PHE 11 N 2.66 3.00 0.16 4.03 0.08 -1.12 -4.85 117.98 121.94 1bqp s PHE 11 Ca -0.06 1.49 0.08 0.00 0.12 0.00 0.00 56.93 58.56 1bqp s PHE 11 Cb -0.11 -2.98 -0.04 0.00 -0.57 0.00 0.00 43.02 39.32 1bqp s PHE 11 CO -0.18 -1.18 -0.17 -1.54 -0.10 0.00 0.00 175.22 172.05 1bqp s SER 12 N -3.08 2.49 0.48 1.36 1.04 -1.24 -0.73 113.70 114.02 1bqp s SER 12 Ca 0.62 -0.87 0.25 0.00 0.48 0.00 0.00 55.95 56.42 1bqp s SER 12 Cb -0.16 -0.13 1.30 0.00 0.10 0.00 0.00 66.02 67.13 1bqp s SER 12 CO 0.43 -0.08 1.89 -0.65 0.98 0.00 0.00 173.24 175.80 1bqp h PRO 13 N 3.22 0.17 -3.33 4.02 0.11 -1.80 -3.11 132.00 131.29 1bqp h PRO 13 Ca -0.41 -0.01 -0.69 0.00 0.11 0.00 0.00 66.00 65.00 1bqp h PRO 13 Cb 1.21 -0.04 -0.37 0.00 0.11 0.00 0.00 31.00 31.91 1bqp h PRO 13 CO 0.52 0.12 -0.24 0.34 -0.21 0.00 0.00 178.00 178.53 1bqp s ASP 14 N -5.70 5.62 -0.95 -2.05 2.15 -1.26 -4.69 116.67 109.79 1bqp s ASP 14 Ca -0.06 -3.56 -0.12 0.00 0.43 0.00 0.00 52.55 49.24 1bqp s ASP 14 Cb 0.22 -1.85 0.24 0.00 -0.30 0.00 0.00 42.92 41.23 1bqp s ASP 14 CO 0.77 -0.20 0.91 -1.58 -0.17 0.00 0.00 175.17 174.90 1bqp s GLN 15 N -1.10 3.85 0.15 4.34 2.00 -1.18 -4.89 119.66 122.84 1bqp s GLN 15 Ca 0.25 -2.80 0.24 0.00 -2.00 0.00 0.00 55.36 51.05 1bqp s GLN 15 Cb -0.10 -4.47 0.91 0.00 0.80 0.00 0.00 33.01 30.16 1bqp s GLN 15 CO -0.11 -1.27 1.74 1.04 -0.50 0.00 0.00 175.29 176.19 1bqp n GLN 16 N 3.40 0.15 -0.45 1.67 6.02 -1.26 -2.95 117.38 123.97 1bqp n GLN 16 Ca 0.18 0.24 0.04 0.00 -0.01 0.00 0.00 57.00 57.45 1bqp n GLN 16 Cb 0.43 -1.72 0.21 0.00 1.02 0.00 0.00 30.24 30.18 1bqp n GLN 16 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1bqp n ASN 17 N -2.00 3.36 -4.19 1.08 2.04 -1.26 -4.85 115.26 109.44 1bqp n ASN 17 Ca 0.04 -2.44 -0.21 0.00 -0.44 0.00 0.00 54.58 51.53 1bqp n ASN 17 Cb 0.31 -0.57 -0.13 0.00 -2.53 0.00 0.00 39.78 36.86 1bqp n ASN 17 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1bqp s LEU 18 N -1.40 2.21 -0.19 -4.53 1.02 -1.15 -0.73 118.68 113.90 1bqp s LEU 18 Ca 0.28 -0.53 -0.04 0.00 0.02 0.00 0.00 54.13 53.86 1bqp s LEU 18 Cb 0.21 -0.68 -0.02 0.00 0.02 0.00 0.00 46.19 45.71 1bqp s LEU 18 CO 0.09 0.03 -0.03 -0.63 0.02 0.00 0.00 176.35 175.84 1bqp s ILE 19 N -0.98 3.73 -0.02 -0.59 1.01 0.42 -4.81 121.20 119.96 1bqp s ILE 19 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1bqp s ILE 19 Cb -0.09 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1bqp s ILE 19 CO 0.02 0.45 0.14 -0.36 0.00 0.00 0.00 174.94 175.18 1bqp s PHE 20 N 0.95 3.45 0.04 3.97 0.40 -1.26 -0.42 117.98 125.10 1bqp s PHE 20 Ca 0.00 0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 56.63 1bqp s PHE 20 Cb -0.14 -1.81 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 1bqp s PHE 20 CO 0.01 0.62 0.02 -0.65 0.70 0.00 0.00 175.22 175.92 1bqp s GLN 21 N -1.73 0.51 5.72 0.44 -0.21 -0.42 -4.98 119.66 119.00 1bqp s GLN 21 Ca 0.24 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1bqp s GLN 21 Cb -0.12 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.07 1bqp s GLN 21 CO 0.15 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 1bqp n GLY 22 N 0.80 2.56 0.80 3.09 0.00 -1.26 -0.67 105.19 110.49 1bqp n GLY 22 Ca -0.19 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.44 1bqp n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bqp n ASP 23 N 1.70 2.30 -4.76 1.61 10.43 0.75 -4.87 116.55 123.70 1bqp n ASP 23 Ca 0.00 -2.06 -0.41 0.00 2.57 0.00 0.00 54.79 54.89 1bqp n ASP 23 Cb 0.00 -0.31 -0.02 0.00 1.84 0.00 0.00 41.12 42.63 1bqp n ASP 23 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1bqp s GLY 24 N -0.93 2.66 0.18 0.44 0.00 -1.05 -4.74 107.32 103.88 1bqp s GLY 24 Ca 0.27 1.26 -0.23 0.00 0.00 0.00 0.00 44.72 46.02 1bqp s GLY 24 CO 0.17 2.07 0.65 -2.52 0.00 0.00 0.00 173.10 173.47 1bqp s TYR 25 N -0.52 -0.45 0.34 1.90 1.13 -0.48 -4.60 117.35 114.67 1bqp s TYR 25 Ca 0.54 0.19 0.08 0.00 -1.41 0.00 0.00 57.07 56.47 1bqp s TYR 25 Cb -0.40 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.01 1bqp s TYR 25 CO 0.47 -0.91 0.11 0.95 -2.51 0.00 0.00 175.55 173.66 1bqp s THR 26 N -3.74 2.94 0.16 -3.49 -4.23 -1.26 -0.53 115.64 105.48 1bqp s THR 26 Ca 0.04 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1bqp s THR 26 Cb -0.02 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 1bqp s THR 26 CO -0.08 -0.19 0.17 1.07 -0.54 0.00 0.00 174.62 175.04 1bqp n THR 27 N -1.10 0.00 -2.35 3.99 5.66 -0.38 -4.61 114.28 115.48 1bqp n THR 27 Ca -0.03 -1.06 -0.42 0.00 -3.05 0.00 0.00 64.05 59.48 1bqp n THR 27 Cb 0.61 0.56 -0.03 0.00 -1.55 0.00 0.00 70.33 69.93 1bqp n THR 27 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1bqp s LYS 28 N -2.56 4.30 0.00 1.09 2.20 -1.26 -3.06 119.74 120.44 1bqp s LYS 28 Ca 0.17 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 1bqp s LYS 28 Cb 0.00 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1bqp s LYS 28 CO 0.12 -0.56 0.00 0.39 -0.36 0.00 0.00 175.35 174.95 1bqp n GLU 29 N 5.61 0.00 -4.43 4.03 4.71 0.09 -4.98 120.64 125.67 1bqp n GLU 29 Ca 0.12 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 57.02 1bqp n GLU 29 Cb 0.45 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.77 1bqp n GLU 29 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1bqp s LYS 30 N 0.00 1.60 -0.25 3.49 -2.85 -1.25 -2.78 119.74 117.71 1bqp s LYS 30 Ca 0.00 -1.60 -0.07 0.00 -1.00 0.00 0.00 55.97 53.30 1bqp s LYS 30 Cb 0.00 -1.84 -0.03 0.00 -2.06 0.00 0.00 37.83 33.91 1bqp s LYS 30 CO 0.00 0.38 0.06 -1.17 0.10 0.00 0.00 175.35 174.72 1bqp s LEU 31 N -2.97 3.41 -0.27 2.77 2.96 -1.26 -1.26 118.68 122.06 1bqp s LEU 31 Ca 0.24 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 1bqp s LEU 31 Cb -0.07 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1bqp s LEU 31 CO 0.12 -0.03 0.12 -0.89 -1.32 0.00 0.00 176.35 174.35 1bqp s THR 32 N 1.58 4.61 -0.16 3.68 2.01 0.31 -4.97 115.64 122.71 1bqp s THR 32 Ca 0.06 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 1bqp s THR 32 Cb -0.15 -3.21 -0.24 0.00 0.01 0.00 0.00 72.50 68.92 1bqp s THR 32 CO 0.03 0.27 0.47 -0.07 -0.69 0.00 0.00 174.62 174.63 1bqp h LEU 33 N 8.29 0.13 -7.90 4.42 3.38 -1.86 -1.28 115.31 120.49 1bqp h LEU 33 Ca -0.36 -0.75 -0.14 0.00 0.09 0.00 0.00 57.88 56.72 1bqp h LEU 33 Cb 1.17 -0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.69 1bqp h LEU 33 CO 0.58 1.41 -0.56 0.42 0.09 0.00 0.00 178.44 180.38 1bqp s THR 34 N -2.37 0.12 0.74 0.22 -4.23 -1.26 -3.30 115.64 105.57 1bqp s THR 34 Ca -0.23 -1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 59.24 1bqp s THR 34 Cb 0.03 -0.72 0.13 0.00 1.34 0.00 0.00 72.50 73.28 1bqp s THR 34 CO 0.68 -0.56 1.02 -0.54 -0.54 0.00 0.00 174.62 174.67 1bqp s LYS 35 N -2.22 1.60 -1.31 3.99 1.02 -1.26 -4.97 119.74 116.59 1bqp s LYS 35 Ca -0.08 -1.05 -0.10 0.00 0.02 0.00 0.00 55.97 54.76 1bqp s LYS 35 Cb -0.04 -2.29 0.15 0.00 -0.52 0.00 0.00 37.83 35.13 1bqp s LYS 35 CO -0.03 -1.52 1.93 0.00 -0.92 0.00 0.00 175.35 174.81 1bqp n ALA 36 N -2.91 5.42 -2.58 5.17 0.00 -1.26 -4.89 120.51 119.47 1bqp n ALA 36 Ca 0.15 -4.26 -0.12 0.00 0.00 0.00 0.00 53.44 49.21 1bqp n ALA 36 Cb 0.60 -3.05 -0.11 0.00 0.00 0.00 0.00 19.45 16.89 1bqp n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1bqp s VAL 37 N 0.73 0.57 0.74 0.00 -7.23 -1.26 -5.04 120.40 108.91 1bqp s VAL 37 Ca 0.41 -1.42 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 1bqp s VAL 37 Cb 0.10 -1.03 0.05 0.00 0.56 0.00 0.00 36.38 36.06 1bqp s VAL 37 CO -0.01 -0.59 1.12 -0.54 -0.31 0.00 0.00 175.10 174.76 1bqp s LYS 38 N -2.51 2.29 -1.04 4.82 1.02 -1.26 -4.32 119.74 118.74 1bqp s LYS 38 Ca -0.01 1.35 -0.18 0.00 0.02 0.00 0.00 55.97 57.15 1bqp s LYS 38 Cb -0.04 -1.89 0.02 0.00 -0.52 0.00 0.00 37.83 35.41 1bqp s LYS 38 CO -0.02 -1.64 0.34 0.09 -0.92 0.00 0.00 175.35 173.20 1bqp n ASN 39 N -3.13 -1.76 -4.60 2.83 4.13 -1.26 -4.99 115.26 106.49 1bqp n ASN 39 Ca 0.10 -1.01 -0.28 0.00 1.68 0.00 0.00 54.58 55.06 1bqp n ASN 39 Cb 0.52 -1.23 -0.10 0.00 -1.54 0.00 0.00 39.78 37.44 1bqp n ASN 39 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1bqp s THR 40 N -3.94 1.49 -0.08 3.41 -4.23 -1.26 -5.02 115.64 106.01 1bqp s THR 40 Ca 0.25 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.63 1bqp s THR 40 Cb -0.14 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1bqp s THR 40 CO 0.77 0.00 0.31 0.54 -0.54 0.00 0.00 174.62 175.70 1bqp s VAL 41 N -2.89 0.02 -0.10 2.29 0.11 -1.26 -4.63 120.40 113.94 1bqp s VAL 41 Ca 0.25 -0.18 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1bqp s VAL 41 Cb 0.06 -0.51 0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1bqp s VAL 41 CO 0.12 -0.10 0.24 -0.83 -3.33 0.00 0.00 175.10 171.20 1bqp s GLY 42 N -0.38 -0.16 0.06 6.54 0.00 -1.21 -0.18 107.32 111.99 1bqp s GLY 42 Ca -0.05 0.82 -0.00 0.00 0.00 0.00 0.00 44.72 45.49 1bqp s GLY 42 CO 0.02 0.89 -0.04 0.50 0.00 0.00 0.00 173.10 174.47 1bqp s ARG 43 N 0.66 0.64 -0.10 2.90 0.52 0.15 -4.81 118.95 118.92 1bqp s ARG 43 Ca -0.04 -1.19 -0.06 0.00 -0.52 0.00 0.00 55.73 53.91 1bqp s ARG 43 Cb -0.06 0.08 0.04 0.00 0.52 0.00 0.00 34.95 35.53 1bqp s ARG 43 CO -0.04 -0.08 0.23 0.00 0.02 0.00 0.00 175.30 175.44 1bqp s ALA 44 N -3.59 -0.55 0.16 2.13 0.00 -1.26 -1.30 121.76 117.36 1bqp s ALA 44 Ca 0.06 0.87 0.09 0.00 0.00 0.00 0.00 51.96 52.99 1bqp s ALA 44 Cb 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1bqp s ALA 44 CO -0.08 -0.17 -0.21 -0.51 0.00 0.00 0.00 175.76 174.80 1bqp s LEU 45 N 0.90 2.41 0.24 0.00 1.43 0.44 -4.93 118.68 119.17 1bqp s LEU 45 Ca -0.06 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.91 1bqp s LEU 45 Cb -0.08 -0.96 -0.09 0.00 0.03 0.00 0.00 46.19 45.09 1bqp s LEU 45 CO -0.06 0.04 1.01 -0.47 0.23 0.00 0.00 176.35 177.10 1bqp s TYR 46 N -1.74 3.81 0.21 0.29 6.04 -1.26 -0.44 117.35 124.26 1bqp s TYR 46 Ca 0.16 1.81 -0.09 0.00 0.04 0.00 0.00 57.07 58.99 1bqp s TYR 46 Cb -0.07 -3.11 0.22 0.00 -1.04 0.00 0.00 41.96 37.95 1bqp s TYR 46 CO 0.07 0.01 1.84 0.66 -1.54 0.00 0.00 175.55 176.59 1bqp h SER 47 N 4.20 0.69 -3.44 4.32 4.64 -1.25 -3.44 113.55 119.27 1bqp h SER 47 Ca -0.45 0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.33 1bqp h SER 47 Cb 1.21 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 1bqp h SER 47 CO 0.68 0.46 0.18 -0.55 -0.87 0.00 0.00 176.83 176.73 1bqp s SER 48 N -5.70 7.24 0.82 4.97 0.15 -1.26 -5.01 113.70 114.89 1bqp s SER 48 Ca -0.13 1.48 -0.12 0.00 0.70 0.00 0.00 55.95 57.88 1bqp s SER 48 Cb 0.16 -2.48 0.09 0.00 -1.71 0.00 0.00 66.02 62.08 1bqp s SER 48 CO 0.77 0.02 1.15 -2.84 1.20 0.00 0.00 173.24 173.54 1bqp s PRO 49 N -0.08 1.70 -0.05 5.44 0.02 -1.26 -5.02 135.00 135.74 1bqp s PRO 49 Ca 0.39 1.54 0.03 0.00 0.02 0.00 0.00 61.00 62.98 1bqp s PRO 49 Cb -0.21 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1bqp s PRO 49 CO 0.24 -2.12 -0.16 0.42 -0.33 0.00 0.00 177.00 175.05 1bqp s ILE 50 N -2.47 1.35 -0.60 2.83 1.01 -1.26 -5.08 121.20 116.98 1bqp s ILE 50 Ca 0.68 -0.64 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 1bqp s ILE 50 Cb -0.24 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.09 1bqp s ILE 50 CO 0.53 0.40 1.10 -2.28 0.00 0.00 0.00 174.94 174.68 1bqp s HIS 51 N 0.29 2.63 -0.09 3.97 2.46 -1.26 -4.89 115.29 118.39 1bqp s HIS 51 Ca -0.09 0.11 0.06 0.00 0.47 0.00 0.00 55.06 55.61 1bqp s HIS 51 Cb -0.13 -4.36 -0.24 0.00 -0.13 0.00 0.00 32.58 27.72 1bqp s HIS 51 CO 0.03 -1.59 0.46 1.51 -2.47 0.00 0.00 174.74 172.69 1bqp n ILE 52 N 6.40 1.64 -3.79 0.89 0.13 -1.26 -4.82 119.36 118.55 1bqp n ILE 52 Ca 0.04 -0.74 -0.10 0.00 -1.10 0.00 0.00 62.75 60.85 1bqp n ILE 52 Cb 0.48 -1.24 -0.05 0.00 -0.84 0.00 0.00 39.64 37.99 1bqp n ILE 52 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 1bqp s TRP 53 N -2.57 0.02 -0.09 9.51 1.48 -1.26 0.10 118.94 126.12 1bqp s TRP 53 Ca -0.13 -0.36 -0.00 0.00 -1.06 0.00 0.00 56.10 54.55 1bqp s TRP 53 Cb 0.07 0.26 0.02 0.00 -1.16 0.00 0.00 33.47 32.67 1bqp s TRP 53 CO 0.79 -0.84 -0.06 0.34 -4.06 0.00 0.00 176.95 173.12 1bqp s ASP 54 N -2.89 1.88 0.31 -2.66 3.68 -0.45 -5.00 116.67 111.54 1bqp s ASP 54 Ca 0.11 -0.23 -0.01 0.00 2.13 0.00 0.00 52.55 54.55 1bqp s ASP 54 Cb 0.00 -0.70 0.50 0.00 -1.45 0.00 0.00 42.92 41.27 1bqp s ASP 54 CO -0.03 -0.12 1.97 0.08 0.13 0.00 0.00 175.17 177.21 1bqp h ARG 55 N 8.01 1.00 0.08 4.34 -0.00 -1.94 0.88 114.38 126.76 1bqp h ARG 55 Ca -0.28 -0.07 0.01 0.00 -0.00 0.00 0.00 59.98 59.64 1bqp h ARG 55 Cb 1.14 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.97 30.87 1bqp h ARG 55 CO 0.38 0.67 -0.11 1.49 -0.00 0.00 0.00 179.97 182.41 1bqp h GLU 56 N 1.03 -0.22 0.00 0.08 4.81 -1.97 -3.21 114.58 115.10 1bqp h GLU 56 Ca 0.28 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1bqp h GLU 56 Cb -0.10 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1bqp h GLU 56 CO -0.06 -0.15 -1.50 0.25 -0.73 0.00 0.00 179.01 176.82 1bqp n THR 57 N -5.23 0.23 -0.96 0.32 -2.24 -1.16 -4.97 114.28 100.27 1bqp n THR 57 Ca -0.07 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1bqp n THR 57 Cb 0.15 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1bqp n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bqp n GLY 58 N 1.26 0.54 3.80 3.38 0.00 0.31 -5.01 105.19 109.47 1bqp n GLY 58 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1bqp n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bqp s ASN 59 N -2.29 6.22 0.05 1.61 0.01 -1.22 -4.81 114.94 114.53 1bqp s ASN 59 Ca 0.00 1.90 0.08 0.00 -0.71 0.00 0.00 52.86 54.13 1bqp s ASN 59 Cb 0.00 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 1bqp s ASN 59 CO 0.00 -0.86 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.83 1bqp s VAL 60 N -2.09 1.71 0.36 1.60 1.01 -1.26 -1.34 120.40 120.38 1bqp s VAL 60 Ca 0.66 -1.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 1bqp s VAL 60 Cb -0.16 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 1bqp s VAL 60 CO 0.24 0.17 0.95 0.00 0.00 0.00 0.00 175.10 176.45 1bqp s ALA 61 N -0.86 3.16 -0.02 5.51 0.00 0.11 -4.76 121.76 124.89 1bqp s ALA 61 Ca 0.08 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.36 1bqp s ALA 61 Cb -0.09 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1bqp s ALA 61 CO 0.02 0.16 0.47 -0.80 0.00 0.00 0.00 175.76 175.60 1bqp s ASN 62 N -1.78 6.82 0.10 0.00 0.01 -1.26 -4.38 114.94 114.44 1bqp s ASN 62 Ca 0.54 0.98 -0.09 0.00 -0.71 0.00 0.00 52.86 53.58 1bqp s ASN 62 Cb -0.16 -2.29 -0.00 0.00 0.41 0.00 0.00 41.25 39.21 1bqp s ASN 62 CO 0.21 0.20 0.20 0.72 -1.51 0.00 0.00 177.10 176.92 1bqp s PHE 63 N -0.50 0.19 -0.12 2.20 -0.71 -1.05 -4.99 117.98 113.00 1bqp s PHE 63 Ca 0.26 -0.61 -0.09 0.00 -1.04 0.00 0.00 56.93 55.44 1bqp s PHE 63 Cb -0.17 -0.06 0.04 0.00 -1.21 0.00 0.00 43.02 41.62 1bqp s PHE 63 CO 0.13 -0.57 0.30 0.54 -1.34 0.00 0.00 175.22 174.29 1bqp s VAL 64 N -3.88 -0.01 0.03 -2.49 0.11 -1.26 -0.84 120.40 112.05 1bqp s VAL 64 Ca 0.07 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1bqp s VAL 64 Cb 0.05 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1bqp s VAL 64 CO -0.09 0.02 -0.10 0.28 -3.33 0.00 0.00 175.10 171.88 1bqp s THR 65 N 0.58 0.76 -0.00 5.04 -1.32 0.02 -4.99 115.64 115.72 1bqp s THR 65 Ca -0.03 -0.80 0.02 0.00 -1.21 0.00 0.00 61.69 59.67 1bqp s THR 65 Cb -0.05 -0.71 -0.01 0.00 -1.51 0.00 0.00 72.50 70.23 1bqp s THR 65 CO -0.03 -0.06 -0.06 -0.44 -2.21 0.00 0.00 174.62 171.81 1bqp s SER 66 N -0.96 0.75 0.16 8.08 0.01 -1.26 -1.32 113.70 119.17 1bqp s SER 66 Ca -0.02 -0.12 -0.19 0.00 1.31 0.00 0.00 55.95 56.93 1bqp s SER 66 Cb -0.07 -0.08 0.05 0.00 0.21 0.00 0.00 66.02 66.13 1bqp s SER 66 CO 0.01 0.07 0.51 0.72 0.41 0.00 0.00 173.24 174.96 1bqp s PHE 67 N -0.17 -0.30 -0.09 2.43 -0.12 -0.92 -5.01 117.98 113.80 1bqp s PHE 67 Ca 0.02 0.01 0.02 0.00 -0.05 0.00 0.00 56.93 56.93 1bqp s PHE 67 Cb -0.03 0.41 0.01 0.00 -0.63 0.00 0.00 43.02 42.79 1bqp s PHE 67 CO -0.00 -0.82 -0.15 0.99 -0.05 0.00 0.00 175.22 175.19 1bqp s THR 68 N -3.81 1.41 0.25 -4.49 2.01 -1.26 -0.90 115.64 108.86 1bqp s THR 68 Ca 0.04 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.49 1bqp s THR 68 Cb -0.00 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 1bqp s THR 68 CO -0.10 0.42 -0.05 0.72 -0.69 0.00 0.00 174.62 174.92 1bqp s PHE 69 N 0.83 1.78 -0.02 4.92 -0.12 -0.64 -4.93 117.98 119.80 1bqp s PHE 69 Ca -0.10 -0.76 0.01 0.00 -0.05 0.00 0.00 56.93 56.03 1bqp s PHE 69 Cb -0.15 -1.00 0.01 0.00 -0.63 0.00 0.00 43.02 41.25 1bqp s PHE 69 CO 0.01 0.18 -0.01 0.08 -0.05 0.00 0.00 175.22 175.43 1bqp s VAL 70 N -3.14 0.21 -0.15 -2.49 1.01 -1.26 -1.07 120.40 113.50 1bqp s VAL 70 Ca 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 1bqp s VAL 70 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 1bqp s VAL 70 CO 0.10 0.11 -0.08 -0.63 0.00 0.00 0.00 175.10 174.59 1bqp s ILE 71 N 0.51 3.37 -0.31 2.22 1.01 -1.26 -5.00 121.20 121.74 1bqp s ILE 71 Ca -0.05 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1bqp s ILE 71 Cb -0.08 -2.46 0.09 0.00 0.01 0.00 0.00 42.46 40.02 1bqp s ILE 71 CO -0.01 0.50 0.05 0.20 0.00 0.00 0.00 174.94 175.67 1bqp s ASN 72 N 0.56 4.32 -0.21 3.58 0.01 -1.26 0.60 114.94 122.54 1bqp s ASN 72 Ca -0.06 -1.77 -0.13 0.00 -0.71 0.00 0.00 52.86 50.20 1bqp s ASN 72 Cb -0.15 -1.26 -0.05 0.00 0.41 0.00 0.00 41.25 40.20 1bqp s ASN 72 CO 0.03 -0.36 0.26 0.00 -1.51 0.00 0.00 177.10 175.52 1bqp s ALA 73 N 1.26 3.60 0.38 0.60 0.00 -1.26 -4.89 121.76 121.44 1bqp s ALA 73 Ca 0.07 -0.68 0.14 0.00 0.00 0.00 0.00 51.96 51.49 1bqp s ALA 73 Cb -0.18 -2.42 0.78 0.00 0.00 0.00 0.00 23.12 21.29 1bqp s ALA 73 CO -0.14 -0.15 1.85 -1.00 0.00 0.00 0.00 175.76 176.32 1bqp h PRO 74 N 7.25 0.00 -4.48 0.00 0.13 -1.96 -3.34 132.00 129.60 1bqp h PRO 74 Ca -0.38 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.05 1bqp h PRO 74 Cb 1.16 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.96 1bqp h PRO 74 CO 0.70 0.34 -0.54 1.21 -0.23 0.00 0.00 178.00 179.49 1bqp s ASN 75 N -6.89 5.30 0.25 1.44 3.84 -1.26 -4.97 114.94 112.63 1bqp s ASN 75 Ca -0.03 -1.95 0.16 0.00 0.21 0.00 0.00 52.86 51.25 1bqp s ASN 75 Cb 0.14 -1.85 0.89 0.00 -0.55 0.00 0.00 41.25 39.88 1bqp s ASN 75 CO 0.72 -0.54 1.49 -1.54 -2.79 0.00 0.00 177.10 174.44 1bqp n SER 76 N 4.64 0.42 -0.11 -4.21 3.41 -1.26 -2.24 113.62 114.28 1bqp n SER 76 Ca -0.04 0.69 -0.13 0.00 -0.26 0.00 0.00 58.87 59.14 1bqp n SER 76 Cb 0.41 -0.75 -0.14 0.00 -0.26 0.00 0.00 64.21 63.48 1bqp n SER 76 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1bqp n TYR 77 N -2.07 0.00 -3.42 7.33 4.01 -1.26 -4.73 117.16 117.02 1bqp n TYR 77 Ca -0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.29 1bqp n TYR 77 Cb 0.03 -0.95 -0.04 0.00 -0.31 0.00 0.00 39.34 38.07 1bqp n TYR 77 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1bqp s ASN 78 N -5.78 6.38 -0.05 7.72 -0.87 -0.95 -5.03 114.94 116.36 1bqp s ASN 78 Ca -0.19 -2.72 0.07 0.00 -1.57 0.00 0.00 52.86 48.45 1bqp s ASN 78 Cb 0.07 -2.12 -0.01 0.00 -0.02 0.00 0.00 41.25 39.16 1bqp s ASN 78 CO 0.70 -0.53 -0.25 -0.69 -2.57 0.00 0.00 177.10 173.76 1bqp s VAL 79 N 0.13 2.05 0.03 1.60 1.01 -1.26 -4.63 120.40 119.34 1bqp s VAL 79 Ca 0.17 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1bqp s VAL 79 Cb -0.13 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1bqp s VAL 79 CO -0.07 0.57 0.55 0.00 0.00 0.00 0.00 175.10 176.15 1bqp s ALA 80 N -0.30 -1.42 -0.03 5.51 0.00 -1.26 -3.93 121.76 120.33 1bqp s ALA 80 Ca 0.01 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.76 1bqp s ALA 80 Cb -0.13 0.33 -0.08 0.00 0.00 0.00 0.00 23.12 23.24 1bqp s ALA 80 CO 0.02 -0.49 0.07 -0.25 0.00 0.00 0.00 175.76 175.12 1bqp n ASP 81 N 0.49 3.60 0.00 0.00 8.00 -1.26 -5.03 116.55 122.36 1bqp n ASP 81 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1bqp n ASP 81 Cb 0.60 0.93 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 1bqp n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bqp n GLY 82 N 2.43 0.24 3.06 0.44 0.00 -1.26 -2.20 105.19 107.90 1bqp n GLY 82 Ca -0.06 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 1bqp n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bqp s PHE 83 N -1.23 0.76 0.04 1.61 2.19 -0.60 -4.99 117.98 115.77 1bqp s PHE 83 Ca 0.00 -0.40 -0.02 0.00 0.33 0.00 0.00 56.93 56.84 1bqp s PHE 83 Cb 0.00 -0.45 -0.03 0.00 -1.31 0.00 0.00 43.02 41.23 1bqp s PHE 83 CO 0.00 -0.04 0.00 0.95 1.83 0.00 0.00 175.22 177.96 1bqp s THR 84 N -1.06 0.17 -0.15 0.12 -4.23 -1.26 -0.36 115.64 108.87 1bqp s THR 84 Ca -0.05 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1bqp s THR 84 Cb -0.08 -1.07 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 1bqp s THR 84 CO 0.01 -0.78 -0.08 0.12 -0.54 0.00 0.00 174.62 173.35 1bqp s PHE 85 N -3.03 2.93 0.13 3.99 2.19 -0.53 -4.93 117.98 118.73 1bqp s PHE 85 Ca -0.01 -0.50 0.02 0.00 0.33 0.00 0.00 56.93 56.77 1bqp s PHE 85 Cb 0.01 -1.93 -0.04 0.00 -1.31 0.00 0.00 43.02 39.75 1bqp s PHE 85 CO -0.07 -0.16 -0.05 -0.59 1.83 0.00 0.00 175.22 176.18 1bqp s PHE 86 N 0.47 1.05 -0.18 10.12 -0.12 -1.26 -0.62 117.98 127.45 1bqp s PHE 86 Ca -0.06 -0.92 -0.00 0.00 -0.05 0.00 0.00 56.93 55.90 1bqp s PHE 86 Cb -0.15 -0.59 0.05 0.00 -0.63 0.00 0.00 43.02 41.70 1bqp s PHE 86 CO 0.04 -0.12 -0.05 0.42 -0.05 0.00 0.00 175.22 175.45 1bqp s ILE 87 N -3.58 1.14 0.31 -4.49 1.01 0.33 -4.99 121.20 110.93 1bqp s ILE 87 Ca 0.16 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.13 1bqp s ILE 87 Cb 0.05 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1bqp s ILE 87 CO -0.01 0.07 0.16 0.00 0.00 0.00 0.00 174.94 175.16 1bqp s ALA 88 N 1.61 2.04 0.97 9.38 0.00 -1.26 -1.46 121.76 133.03 1bqp s ALA 88 Ca -0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.11 1bqp s ALA 88 Cb -0.16 1.12 0.16 0.00 0.00 0.00 0.00 23.12 24.25 1bqp s ALA 88 CO -0.08 -0.50 1.06 -2.30 0.00 0.00 0.00 175.76 173.95 1bqp n PRO 89 N -0.61 -0.81 0.26 0.00 -0.02 -1.25 -4.87 135.00 127.70 1bqp n PRO 89 Ca 0.01 -0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.41 1bqp n PRO 89 Cb 0.65 -2.30 0.69 0.00 -0.02 0.00 0.00 33.50 32.52 1bqp n PRO 89 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1bqp h VAL 90 N -2.02 0.87 -0.37 -1.45 -1.51 -2.00 -1.48 116.25 108.28 1bqp h VAL 90 Ca -0.46 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1bqp h VAL 90 Cb 1.28 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1bqp h VAL 90 CO 0.42 0.05 0.00 -0.90 -1.23 0.00 0.00 177.57 175.91 1bqp n ASP 91 N -4.22 3.99 -4.66 4.19 5.75 -1.26 -4.98 116.55 115.35 1bqp n ASP 91 Ca -0.03 -2.57 -0.43 0.00 -0.01 0.00 0.00 54.79 51.75 1bqp n ASP 91 Cb 0.14 -0.61 -0.01 0.00 -1.03 0.00 0.00 41.12 39.61 1bqp n ASP 91 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1bqp n THR 92 N 0.42 2.02 -4.15 2.12 5.66 -0.56 -5.02 114.28 114.78 1bqp n THR 92 Ca 0.18 -0.50 -0.10 0.00 -3.05 0.00 0.00 64.05 60.58 1bqp n THR 92 Cb 0.84 -1.36 -0.10 0.00 -1.55 0.00 0.00 70.33 68.17 1bqp n THR 92 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1bqp s LYS 93 N -1.77 0.77 0.30 1.09 1.02 -1.26 -5.08 119.74 114.81 1bqp s LYS 93 Ca 0.57 -1.30 -0.28 0.00 0.02 0.00 0.00 55.97 54.98 1bqp s LYS 93 Cb -0.61 -0.09 -0.13 0.00 -0.52 0.00 0.00 37.83 36.47 1bqp s LYS 93 CO 0.61 -0.04 1.10 -2.30 -0.92 0.00 0.00 175.35 173.80 1bqp n PRO 94 N 0.01 1.60 0.00 -1.68 -0.02 -1.26 -4.95 135.00 128.70 1bqp n PRO 94 Ca -0.13 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1bqp n PRO 94 Cb 0.61 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1bqp n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1bqp n GLN 95 N 0.69 3.82 -1.84 -0.52 1.13 0.42 -4.99 117.38 116.09 1bqp n GLN 95 Ca 0.08 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.73 1bqp n GLN 95 Cb 0.33 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.67 1bqp n GLN 95 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1bqp s THR 96 N 2.37 2.16 0.00 5.09 2.01 -1.08 -4.56 115.64 121.62 1bqp s THR 96 Ca 0.00 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1bqp s THR 96 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1bqp s THR 96 CO 0.00 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1bqp n GLY 97 N 1.14 -0.02 7.00 4.40 0.00 -1.26 -0.66 105.19 115.79 1bqp n GLY 97 Ca 0.03 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1bqp n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bqp n GLY 98 N 5.00 3.58 0.17 -0.02 0.00 -1.26 -1.97 105.19 110.68 1bqp n GLY 98 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1bqp n GLY 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bqp h GLY 99 N 0.00 0.00 1.35 -0.02 0.00 -1.94 -1.83 103.07 100.63 1bqp h GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bqp h GLY 99 CO 0.00 0.00 -0.07 -1.72 0.00 0.00 0.00 176.54 174.75 1bqp n TYR 100 N -2.33 0.00 -1.26 5.60 4.01 -0.83 -4.93 117.16 117.41 1bqp n TYR 100 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 1bqp n TYR 100 Cb 0.09 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 38.81 1bqp n TYR 100 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1bqp n LEU 101 N -1.21 -0.18 0.00 7.72 4.77 -0.69 -2.41 117.00 125.00 1bqp n LEU 101 Ca 0.13 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1bqp n LEU 101 Cb 0.27 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 38.87 1bqp n LEU 101 CO 0.25 -0.96 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 1bqp n GLY 102 N 0.05 0.42 0.00 -0.72 0.00 0.16 -4.83 105.19 100.28 1bqp n GLY 102 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1bqp n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bqp n VAL 103 N -2.60 0.00 -4.36 1.61 0.24 -1.08 -0.44 118.33 111.70 1bqp n VAL 103 Ca 0.00 -0.07 -0.18 0.00 -2.04 0.00 0.00 64.34 62.05 1bqp n VAL 103 Cb 0.11 0.55 -0.10 0.00 -1.47 0.00 0.00 33.84 32.93 1bqp n VAL 103 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1bqp s PHE 104 N -1.77 1.69 0.00 6.34 0.08 -1.01 -4.83 117.98 118.47 1bqp s PHE 104 Ca 0.00 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 55.96 1bqp s PHE 104 Cb 0.00 -1.03 0.00 0.00 -0.57 0.00 0.00 43.02 41.42 1bqp s PHE 104 CO 0.00 -0.20 0.19 0.09 -0.10 0.00 0.00 175.22 175.20 1bqp n ASN 105 N -0.54 0.39 -3.77 1.36 3.02 -1.26 -2.64 115.26 111.82 1bqp n ASN 105 Ca -0.01 -0.72 -0.04 0.00 -0.03 0.00 0.00 54.58 53.78 1bqp n ASN 105 Cb 0.66 0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 40.10 1bqp n ASN 105 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1bqp s SER 106 N -0.28 -0.21 0.00 6.41 1.04 -1.26 -5.00 113.70 114.40 1bqp s SER 106 Ca 0.00 -0.43 0.25 0.00 0.48 0.00 0.00 55.95 56.25 1bqp s SER 106 Cb 0.00 0.54 0.56 0.00 0.10 0.00 0.00 66.02 67.22 1bqp s SER 106 CO 0.00 -0.99 1.44 0.00 0.98 0.00 0.00 173.24 174.67 1bqp n ALA 107 N -0.46 3.40 -2.26 5.32 0.00 -1.26 -2.44 120.51 122.80 1bqp n ALA 107 Ca -0.06 -0.41 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 1bqp n ALA 107 Cb 0.60 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1bqp n ALA 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bqp s GLU 108 N -2.73 3.41 -0.19 0.00 8.01 -1.26 -4.43 118.70 121.50 1bqp s GLU 108 Ca 0.18 0.10 -0.29 0.00 0.01 0.00 0.00 54.97 54.97 1bqp s GLU 108 Cb 0.18 -2.38 -0.00 0.00 -4.31 0.00 0.00 34.13 27.62 1bqp s GLU 108 CO 0.62 -0.28 1.16 -0.47 0.01 0.00 0.00 175.26 176.30 1bqp s TYR 109 N -2.75 3.09 -0.32 1.61 6.14 -1.26 -4.55 117.35 119.30 1bqp s TYR 109 Ca 0.48 1.23 0.04 0.00 0.64 0.00 0.00 57.07 59.46 1bqp s TYR 109 Cb -0.10 -3.39 0.09 0.00 0.42 0.00 0.00 41.96 38.98 1bqp s TYR 109 CO 0.44 -1.12 0.01 0.34 0.64 0.00 0.00 175.55 175.86 1bqp s ASP 110 N 1.60 4.68 0.56 4.32 -1.08 -0.51 -4.97 116.67 121.27 1bqp s ASP 110 Ca 0.50 -1.96 0.29 0.00 -0.52 0.00 0.00 52.55 50.86 1bqp s ASP 110 Cb -0.19 -1.60 1.66 0.00 -1.46 0.00 0.00 42.92 41.33 1bqp s ASP 110 CO 0.11 -0.33 2.17 0.07 0.52 0.00 0.00 175.17 177.71 1bqp h LYS 111 N 7.66 0.00 0.00 4.34 2.10 -1.94 -1.62 116.57 127.10 1bqp h LYS 111 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1bqp h LYS 111 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1bqp h LYS 111 CO 0.50 0.06 0.00 0.25 -2.00 0.00 0.00 179.45 178.26 1bqp n THR 112 N -3.71 0.72 -0.03 0.07 -2.24 -1.26 -2.68 114.28 105.16 1bqp n THR 112 Ca -0.02 0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 1bqp n THR 112 Cb 0.16 -0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 67.44 1bqp n THR 112 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1bqp h THR 113 N 0.00 1.30 -6.58 4.28 2.02 -1.65 -3.48 112.91 108.80 1bqp h THR 113 Ca 0.00 -1.87 -0.52 0.00 0.77 0.00 0.00 66.41 64.80 1bqp h THR 113 Cb 0.45 1.82 -0.10 0.00 -1.74 0.00 0.00 68.15 68.58 1bqp h THR 113 CO 0.00 0.59 -0.87 0.00 0.37 0.00 0.00 175.52 175.61 1bqp n GLN 114 N -3.95 -3.24 -4.43 6.66 6.02 -1.09 -4.72 117.38 112.62 1bqp n GLN 114 Ca -0.05 0.39 -0.20 0.00 -0.01 0.00 0.00 57.00 57.13 1bqp n GLN 114 Cb 0.67 -4.67 -0.15 0.00 1.02 0.00 0.00 30.24 27.11 1bqp n GLN 114 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1bqp s THR 115 N -3.79 0.83 -0.10 5.09 2.01 -1.26 -3.89 115.64 114.54 1bqp s THR 115 Ca 0.21 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1bqp s THR 115 Cb -0.12 -0.72 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 1bqp s THR 115 CO 0.90 0.25 -0.22 -0.69 -0.69 0.00 0.00 174.62 174.17 1bqp s VAL 116 N 0.05 2.23 0.07 3.82 1.01 -0.53 -1.29 120.40 125.76 1bqp s VAL 116 Ca -0.01 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1bqp s VAL 116 Cb -0.07 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1bqp s VAL 116 CO 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 175.10 175.59 1bqp s ALA 117 N 0.23 0.79 -0.24 5.51 0.00 -0.12 -0.51 121.76 127.40 1bqp s ALA 117 Ca -0.14 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1bqp s ALA 117 Cb -0.17 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1bqp s ALA 117 CO 0.07 -0.13 -0.11 0.08 0.00 0.00 0.00 175.76 175.67 1bqp s VAL 118 N -2.58 2.39 0.16 0.00 1.01 0.21 -0.54 120.40 121.04 1bqp s VAL 118 Ca 0.02 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 60.70 1bqp s VAL 118 Cb -0.02 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1bqp s VAL 118 CO -0.02 0.15 0.33 -1.83 0.00 0.00 0.00 175.10 173.72 1bqp s GLU 119 N 1.21 3.48 -0.52 2.72 -1.05 0.54 -1.45 118.70 123.63 1bqp s GLU 119 Ca -0.03 -0.46 0.04 0.00 -0.15 0.00 0.00 54.97 54.36 1bqp s GLU 119 Cb -0.18 -2.91 0.15 0.00 -0.44 0.00 0.00 34.13 30.75 1bqp s GLU 119 CO -0.06 0.47 0.34 -0.06 0.95 0.00 0.00 175.26 176.90 1bqp s PHE 120 N -1.77 2.36 -0.25 4.83 0.40 0.51 -0.80 117.98 123.26 1bqp s PHE 120 Ca 0.36 -2.74 -0.22 0.00 -0.60 0.00 0.00 56.93 53.74 1bqp s PHE 120 Cb -0.11 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 1bqp s PHE 120 CO 0.29 -0.72 0.71 0.34 0.70 0.00 0.00 175.22 176.54 1bqp s ASP 121 N -0.32 6.68 0.00 1.36 3.68 0.29 -1.55 116.67 126.81 1bqp s ASP 121 Ca 0.23 0.84 0.20 0.00 2.13 0.00 0.00 52.55 55.95 1bqp s ASP 121 Cb -0.12 -2.38 0.11 0.00 -1.45 0.00 0.00 42.92 39.08 1bqp s ASP 121 CO -0.09 -0.43 1.08 0.35 0.13 0.00 0.00 175.17 176.21 1bqp n THR 122 N 5.21 0.00 -4.12 1.71 -2.24 -0.93 -1.22 114.28 112.69 1bqp n THR 122 Ca 0.02 -0.44 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 1bqp n THR 122 Cb 0.48 1.36 -0.15 0.00 -2.10 0.00 0.00 70.33 69.92 1bqp n THR 122 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1bqp s PHE 123 N -1.81 0.53 -0.41 4.78 2.19 -1.24 -4.51 117.98 117.51 1bqp s PHE 123 Ca 0.21 -0.11 -0.29 0.00 0.33 0.00 0.00 56.93 57.07 1bqp s PHE 123 Cb 0.16 -0.44 0.02 0.00 -1.31 0.00 0.00 43.02 41.45 1bqp s PHE 123 CO 0.32 -0.09 1.13 -0.47 1.83 0.00 0.00 175.22 177.93 1bqp s TYR 124 N 0.45 2.94 -0.40 10.12 5.04 -1.26 -5.00 117.35 129.23 1bqp s TYR 124 Ca -0.05 0.92 -0.11 0.00 -2.44 0.00 0.00 57.07 55.38 1bqp s TYR 124 Cb -0.09 -4.11 0.05 0.00 0.35 0.00 0.00 41.96 38.16 1bqp s TYR 124 CO -0.00 -1.10 0.25 -0.80 -1.34 0.00 0.00 175.55 172.56 1bqp s ASN 125 N 2.18 5.79 0.30 4.32 -0.87 -1.26 -4.96 114.94 120.43 1bqp s ASN 125 Ca 0.48 -1.16 0.05 0.00 -1.57 0.00 0.00 52.86 50.65 1bqp s ASN 125 Cb -0.10 -2.04 0.70 0.00 -0.02 0.00 0.00 41.25 39.79 1bqp s ASN 125 CO 0.25 -0.46 1.79 0.00 -2.57 0.00 0.00 177.10 176.10 1bqp h ALA 126 N 8.48 1.64 -0.29 0.60 0.00 -1.94 0.44 119.26 128.20 1bqp h ALA 126 Ca -0.25 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1bqp h ALA 126 Cb 1.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1bqp h ALA 126 CO 0.72 0.01 0.30 0.00 0.00 0.00 0.00 179.25 180.28 1bqp h ALA 127 N 1.63 1.97 0.00 0.00 0.00 -2.02 -3.38 119.26 117.45 1bqp h ALA 127 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1bqp h ALA 127 Cb 0.82 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1bqp h ALA 127 CO -0.36 -0.45 0.00 -2.67 0.00 0.00 0.00 179.25 175.77 1bqp n TRP 128 N -3.82 0.00 -1.24 0.00 2.14 -0.85 -5.08 117.44 108.60 1bqp n TRP 128 Ca 0.04 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.31 1bqp n TRP 128 Cb 0.45 0.00 0.12 0.00 -0.81 0.00 0.00 31.31 31.07 1bqp n TRP 128 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1bqp s ASP 129 N -0.27 3.94 0.22 -0.67 1.01 0.09 -4.79 116.67 116.21 1bqp s ASP 129 Ca 0.00 1.63 -0.32 0.00 0.71 0.00 0.00 52.55 54.57 1bqp s ASP 129 Cb 0.00 -2.32 -0.13 0.00 1.01 0.00 0.00 42.92 41.48 1bqp s ASP 129 CO 0.00 -2.36 1.51 -2.65 0.21 0.00 0.00 175.17 171.87 1bqp n PRO 130 N -3.72 2.22 0.09 8.23 -0.02 -1.26 -4.87 135.00 135.67 1bqp n PRO 130 Ca 0.08 0.80 0.16 0.00 -2.02 0.00 0.00 63.50 62.52 1bqp n PRO 130 Cb 0.54 -2.52 0.68 0.00 -0.02 0.00 0.00 33.50 32.19 1bqp n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1bqp h SER 131 N 4.96 0.00 0.12 2.55 4.64 -1.95 -0.91 113.55 122.95 1bqp h SER 131 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1bqp h SER 131 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1bqp h SER 131 CO 0.81 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.31 1bqp n ASN 132 N -4.40 0.34 0.00 4.97 0.23 -1.26 -4.81 115.26 110.32 1bqp n ASN 132 Ca 0.06 0.64 0.00 0.00 -0.53 0.00 0.00 54.58 54.75 1bqp n ASN 132 Cb 0.44 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 1bqp n ASN 132 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bqp n ARG 133 N -1.94 -1.21 -2.17 -3.83 1.74 -0.35 -4.98 116.66 103.92 1bqp n ARG 133 Ca -0.00 0.30 -0.33 0.00 -0.77 0.00 0.00 57.85 57.05 1bqp n ARG 133 Cb 0.05 -4.24 0.00 0.00 -1.02 0.00 0.00 32.46 27.25 1bqp n ARG 133 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bqp s ASP 134 N -2.01 5.89 0.51 0.55 1.01 -1.26 -4.75 116.67 116.60 1bqp s ASP 134 Ca 0.00 1.88 -0.19 0.00 0.71 0.00 0.00 52.55 54.95 1bqp s ASP 134 Cb 0.00 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 1bqp s ASP 134 CO 0.00 -1.10 1.06 -0.13 0.21 0.00 0.00 175.17 175.21 1bqp s ARG 135 N -3.80 3.66 0.23 8.23 0.52 -1.26 -4.86 118.95 121.67 1bqp s ARG 135 Ca 0.65 1.38 -0.22 0.00 -0.52 0.00 0.00 55.73 57.02 1bqp s ARG 135 Cb -0.17 -2.07 0.04 0.00 0.52 0.00 0.00 34.95 33.27 1bqp s ARG 135 CO 0.32 -0.55 0.68 -3.38 0.02 0.00 0.00 175.30 172.38 1bqp s HIS 136 N -2.02 -0.33 -0.08 -0.53 -3.43 -0.36 -0.06 115.29 108.50 1bqp s HIS 136 Ca 0.68 -0.03 -0.09 0.00 -0.80 0.00 0.00 55.06 54.82 1bqp s HIS 136 Cb -0.17 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 1bqp s HIS 136 CO 0.23 -1.08 0.21 0.42 -2.00 0.00 0.00 174.74 172.53 1bqp s ILE 137 N -3.84 5.38 0.02 -5.38 1.01 -0.38 -0.55 121.20 117.46 1bqp s ILE 137 Ca 0.07 0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 1bqp s ILE 137 Cb -0.04 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1bqp s ILE 137 CO -0.01 0.58 0.22 -0.83 0.00 0.00 0.00 174.94 174.91 1bqp s GLY 138 N -1.12 -0.03 -0.28 6.18 0.00 0.02 -1.45 107.32 110.65 1bqp s GLY 138 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 44.72 44.77 1bqp s GLY 138 CO 0.07 -0.23 0.11 -0.42 0.00 0.00 0.00 173.10 172.64 1bqp s ILE 139 N -1.94 4.46 -0.17 0.90 1.01 -0.45 -0.34 121.20 124.67 1bqp s ILE 139 Ca -0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 1bqp s ILE 139 Cb -0.04 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 1bqp s ILE 139 CO -0.00 0.19 -0.03 -1.81 0.00 0.00 0.00 174.94 173.29 1bqp s ASP 140 N 1.61 4.80 -0.31 3.58 1.01 0.29 -0.65 116.67 127.00 1bqp s ASP 140 Ca 0.05 -0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.19 1bqp s ASP 140 Cb -0.16 -1.79 0.09 0.00 1.01 0.00 0.00 42.92 42.07 1bqp s ASP 140 CO 0.05 0.15 0.04 -0.69 0.21 0.00 0.00 175.17 174.93 1bqp s VAL 141 N 0.50 1.71 -1.89 -1.27 1.01 -1.26 -0.95 120.40 118.25 1bqp s VAL 141 Ca -0.03 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.11 1bqp s VAL 141 Cb -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1bqp s VAL 141 CO 0.03 -0.53 0.00 0.59 0.00 0.00 0.00 175.10 175.19 1bqp n ASN 142 N 4.51 -5.29 -3.58 3.32 5.03 -0.41 -4.84 115.26 114.00 1bqp n ASN 142 Ca -0.01 0.29 -0.11 0.00 0.87 0.00 0.00 54.58 55.61 1bqp n ASN 142 Cb 0.42 -4.58 -0.05 0.00 -1.02 0.00 0.00 39.78 34.55 1bqp n ASN 142 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1bqp s SER 143 N -2.39 -0.42 0.26 6.41 0.15 -1.26 -1.42 113.70 115.03 1bqp s SER 143 Ca 0.00 0.51 0.25 0.00 0.70 0.00 0.00 55.95 57.42 1bqp s SER 143 Cb 0.00 0.41 0.86 0.00 -1.71 0.00 0.00 66.02 65.58 1bqp s SER 143 CO 0.00 -0.36 1.75 -0.29 1.20 0.00 0.00 173.24 175.55 1bqp h ILE 144 N 2.75 0.00 -3.03 6.45 6.09 -1.75 -3.41 117.51 124.62 1bqp h ILE 144 Ca -0.21 -0.44 -0.63 0.00 -1.37 0.00 0.00 64.86 62.22 1bqp h ILE 144 Cb 1.16 1.35 -0.14 0.00 0.47 0.00 0.00 36.82 39.66 1bqp h ILE 144 CO 0.30 0.00 0.47 -0.75 -3.07 0.00 0.00 178.15 175.10 1bqp s LYS 145 N -3.21 3.22 0.46 2.19 2.20 -1.26 -4.92 119.74 118.42 1bqp s LYS 145 Ca 0.08 -0.55 -0.23 0.00 -0.36 0.00 0.00 55.97 54.91 1bqp s LYS 145 Cb 0.11 -4.12 -0.09 0.00 -1.51 0.00 0.00 37.83 32.21 1bqp s LYS 145 CO 0.53 -1.55 0.99 0.43 -0.36 0.00 0.00 175.35 175.39 1bqp n SER 146 N 7.33 1.11 0.16 1.43 7.64 -1.26 -4.76 113.62 125.26 1bqp n SER 146 Ca -0.01 0.98 0.12 0.00 1.01 0.00 0.00 58.87 60.97 1bqp n SER 146 Cb 0.46 -1.36 0.26 0.00 -1.01 0.00 0.00 64.21 62.57 1bqp n SER 146 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1bqp h VAL 147 N 1.31 0.00 -1.74 0.44 -1.51 -1.25 -3.46 116.25 110.04 1bqp h VAL 147 Ca -0.45 -0.76 0.03 0.00 -1.23 0.00 0.00 66.70 64.28 1bqp h VAL 147 Cb 1.34 1.72 -0.23 0.00 -2.13 0.00 0.00 31.29 31.99 1bqp h VAL 147 CO 0.55 0.00 0.37 0.21 -1.23 0.00 0.00 177.57 177.47 1bqp s ASN 148 N -5.39 -0.52 0.19 4.19 3.84 -1.24 -5.00 114.94 111.00 1bqp s ASN 148 Ca 0.08 0.84 -0.01 0.00 0.21 0.00 0.00 52.86 53.98 1bqp s ASN 148 Cb 0.09 0.79 -0.04 0.00 -0.55 0.00 0.00 41.25 41.54 1bqp s ASN 148 CO 0.65 -0.30 0.11 0.42 -2.79 0.00 0.00 177.10 175.19 1bqp s THR 149 N -0.32 0.07 -0.17 -5.21 -4.23 -1.26 -1.34 115.64 103.17 1bqp s THR 149 Ca -0.01 -1.98 -0.07 0.00 -1.18 0.00 0.00 61.69 58.45 1bqp s THR 149 Cb -0.03 -2.39 0.08 0.00 1.34 0.00 0.00 72.50 71.50 1bqp s THR 149 CO -0.00 -0.12 0.38 -0.75 -0.54 0.00 0.00 174.62 173.59 1bqp s LYS 150 N -4.12 0.30 0.57 3.99 2.20 -0.53 -4.98 119.74 117.17 1bqp s LYS 150 Ca 0.35 0.90 -0.20 0.00 -0.36 0.00 0.00 55.97 56.66 1bqp s LYS 150 Cb 0.07 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1bqp s LYS 150 CO 0.09 -0.23 1.13 0.43 -0.36 0.00 0.00 175.35 176.41 1bqp n SER 151 N 5.08 1.57 -3.73 1.43 7.64 -1.26 -1.24 113.62 123.10 1bqp n SER 151 Ca -0.12 0.89 -0.12 0.00 1.01 0.00 0.00 58.87 60.53 1bqp n SER 151 Cb 0.51 -1.46 -0.11 0.00 -1.01 0.00 0.00 64.21 62.13 1bqp n SER 151 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1bqp s TRP 152 N -1.40 -0.43 -0.39 1.43 -0.00 0.92 -4.76 118.94 114.31 1bqp s TRP 152 Ca 0.74 0.99 -0.20 0.00 -0.00 0.00 0.00 56.10 57.63 1bqp s TRP 152 Cb -0.43 0.15 0.01 0.00 -0.00 0.00 0.00 33.47 33.20 1bqp s TRP 152 CO 0.48 -0.24 0.60 0.15 -0.00 0.00 0.00 176.95 177.94 1bqp s LYS 153 N 0.86 3.47 0.17 5.86 -0.14 -1.26 -4.18 119.74 124.51 1bqp s LYS 153 Ca -0.06 -0.22 -0.31 0.00 -1.36 0.00 0.00 55.97 54.03 1bqp s LYS 153 Cb -0.06 -3.87 -0.09 0.00 -1.68 0.00 0.00 37.83 32.13 1bqp s LYS 153 CO -0.06 -0.83 1.36 -1.17 -0.76 0.00 0.00 175.35 173.89 1bqp s LEU 154 N 2.64 4.39 -0.53 3.17 2.96 -1.26 -4.98 118.68 125.08 1bqp s LEU 154 Ca 0.22 2.40 -0.05 0.00 -0.22 0.00 0.00 54.13 56.48 1bqp s LEU 154 Cb -0.15 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 43.08 1bqp s LEU 154 CO 0.16 -0.60 0.37 -1.10 -1.32 0.00 0.00 176.35 173.86 1bqp s GLN 155 N 0.36 2.44 -0.12 1.98 -0.21 -1.26 -5.05 119.66 117.80 1bqp s GLN 155 Ca 0.60 -2.10 -0.38 0.00 0.02 0.00 0.00 55.36 53.50 1bqp s GLN 155 Cb -0.37 -3.79 -0.16 0.00 1.00 0.00 0.00 33.01 29.69 1bqp s GLN 155 CO 0.35 -1.16 1.58 -1.71 -2.12 0.00 0.00 175.29 172.24 1bqp n ASN 156 N 4.24 2.14 -0.17 5.90 5.15 -1.26 -1.81 115.26 129.45 1bqp n ASN 156 Ca 0.01 1.09 -0.02 0.00 -0.60 0.00 0.00 54.58 55.06 1bqp n ASN 156 Cb 0.40 -1.17 -0.01 0.00 -0.53 0.00 0.00 39.78 38.47 1bqp n ASN 156 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bqp n GLY 157 N 3.52 0.45 3.79 8.20 0.00 0.20 -5.01 105.19 116.34 1bqp n GLY 157 Ca 0.23 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1bqp n GLY 157 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bqp s GLU 158 N -1.39 3.11 -0.04 1.61 0.41 -0.75 -4.91 118.70 116.73 1bqp s GLU 158 Ca 0.00 -0.45 -0.30 0.00 -0.41 0.00 0.00 54.97 53.81 1bqp s GLU 158 Cb 0.00 -2.89 -0.04 0.00 -1.78 0.00 0.00 34.13 29.42 1bqp s GLU 158 CO 0.00 0.66 1.28 -1.21 -0.49 0.00 0.00 175.26 175.50 1bqp s GLU 159 N -1.67 4.32 -0.18 1.61 2.02 -1.26 -4.48 118.70 119.05 1bqp s GLU 159 Ca 0.22 1.78 -0.08 0.00 0.02 0.00 0.00 54.97 56.91 1bqp s GLU 159 Cb -0.12 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1bqp s GLU 159 CO 0.13 -0.51 0.07 0.00 0.02 0.00 0.00 175.26 174.97 1bqp s ALA 160 N 2.38 3.47 -0.22 5.21 0.00 -0.23 -4.38 121.76 128.00 1bqp s ALA 160 Ca 0.59 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 1bqp s ALA 160 Cb -0.27 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1bqp s ALA 160 CO 0.23 0.21 0.06 -0.80 0.00 0.00 0.00 175.76 175.46 1bqp s ASN 161 N 0.27 5.30 0.08 0.00 0.01 -0.04 -1.61 114.94 118.94 1bqp s ASN 161 Ca 0.05 -0.10 0.09 0.00 -0.71 0.00 0.00 52.86 52.18 1bqp s ASN 161 Cb -0.12 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 1bqp s ASN 161 CO -0.00 0.05 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.72 1bqp s VAL 162 N 1.10 1.88 -0.04 1.60 1.01 -0.08 -1.02 120.40 124.86 1bqp s VAL 162 Ca 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1bqp s VAL 162 Cb -0.14 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.61 1bqp s VAL 162 CO 0.03 0.14 -0.01 -0.69 0.00 0.00 0.00 175.10 174.57 1bqp s VAL 163 N -0.95 0.32 -0.09 2.92 1.01 -0.26 -2.16 120.40 121.19 1bqp s VAL 163 Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1bqp s VAL 163 Cb -0.10 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1bqp s VAL 163 CO 0.03 0.18 -0.14 -0.63 0.00 0.00 0.00 175.10 174.54 1bqp s ILE 164 N 1.08 1.35 0.05 2.22 1.01 -0.43 -0.94 121.20 125.53 1bqp s ILE 164 Ca -0.09 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.03 1bqp s ILE 164 Cb -0.14 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1bqp s ILE 164 CO -0.01 0.41 -0.14 0.00 0.00 0.00 0.00 174.94 175.20 1bqp s ALA 165 N 0.84 1.13 -0.10 9.38 0.00 -0.27 -0.80 121.76 131.94 1bqp s ALA 165 Ca -0.10 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1bqp s ALA 165 Cb -0.15 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1bqp s ALA 165 CO 0.01 0.20 -0.15 0.12 0.00 0.00 0.00 175.76 175.94 1bqp s PHE 166 N -0.95 1.91 -0.39 0.00 5.36 -0.02 -0.69 117.98 123.19 1bqp s PHE 166 Ca 0.00 -0.86 -0.15 0.00 -0.96 0.00 0.00 56.93 54.97 1bqp s PHE 166 Cb -0.08 -1.37 0.01 0.00 -0.34 0.00 0.00 43.02 41.23 1bqp s PHE 166 CO 0.01 -0.43 0.32 1.21 -1.46 0.00 0.00 175.22 174.86 1bqp s ASN 167 N 0.89 6.12 0.40 6.13 3.84 -0.11 -2.54 114.94 129.67 1bqp s ASN 167 Ca -0.09 -0.68 0.08 0.00 0.21 0.00 0.00 52.86 52.38 1bqp s ASN 167 Cb -0.15 -2.17 0.84 0.00 -0.55 0.00 0.00 41.25 39.21 1bqp s ASN 167 CO 0.00 -0.41 2.01 0.00 -2.79 0.00 0.00 177.10 175.91 1bqp h ALA 168 N 8.60 1.63 -0.44 1.71 0.00 -1.86 0.57 119.26 129.47 1bqp h ALA 168 Ca -0.28 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1bqp h ALA 168 Cb 1.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1bqp h ALA 168 CO 0.71 0.29 0.01 0.00 0.00 0.00 0.00 179.25 180.27 1bqp h ALA 169 N 1.70 0.59 -0.01 0.00 0.00 -1.92 -3.32 119.26 116.32 1bqp h ALA 169 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1bqp h ALA 169 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bqp h ALA 169 CO -0.01 0.38 -0.46 0.25 0.00 0.00 0.00 179.25 179.40 1bqp n THR 170 N -4.40 0.00 -2.09 0.00 -2.24 -1.06 -4.98 114.28 99.50 1bqp n THR 170 Ca -0.00 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 1bqp n THR 170 Cb 0.29 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 1bqp n THR 170 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bqp n ASN 171 N -0.63 -5.17 -4.70 3.42 3.02 0.20 -4.97 115.26 106.44 1bqp n ASN 171 Ca 0.05 0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 54.35 1bqp n ASN 171 Cb 0.28 -4.24 -0.08 0.00 -0.61 0.00 0.00 39.78 35.14 1bqp n ASN 171 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bqp s VAL 172 N -2.82 5.28 -0.20 2.41 1.01 -1.18 -4.90 120.40 120.00 1bqp s VAL 172 Ca 0.00 0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 1bqp s VAL 172 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1bqp s VAL 172 CO 0.00 0.33 0.01 -0.22 0.00 0.00 0.00 175.10 175.23 1bqp s LEU 173 N 0.87 3.37 -0.08 3.92 2.96 -1.26 -0.93 118.68 127.53 1bqp s LEU 173 Ca 0.16 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1bqp s LEU 173 Cb -0.14 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1bqp s LEU 173 CO 0.05 0.08 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.04 1bqp s THR 174 N 0.91 2.12 0.01 3.68 2.01 0.13 -4.98 115.64 119.52 1bqp s THR 174 Ca 0.02 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 61.06 1bqp s THR 174 Cb -0.14 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1bqp s THR 174 CO 0.02 0.56 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.61 1bqp s VAL 175 N 0.05 2.48 -0.12 3.82 1.01 -1.26 -1.11 120.40 125.27 1bqp s VAL 175 Ca -0.10 -1.12 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 1bqp s VAL 175 Cb -0.16 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.32 1bqp s VAL 175 CO 0.06 0.46 0.26 -0.55 0.00 0.00 0.00 175.10 175.33 1bqp s SER 176 N -1.03 0.22 -0.08 3.32 0.15 -0.12 -4.99 113.70 111.18 1bqp s SER 176 Ca 0.12 0.57 0.05 0.00 0.70 0.00 0.00 55.95 57.39 1bqp s SER 176 Cb -0.10 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 64.82 1bqp s SER 176 CO 0.02 -0.22 -0.24 -0.22 1.20 0.00 0.00 173.24 173.77 1bqp s LEU 177 N 2.15 2.08 0.01 3.45 0.20 -1.26 -1.10 118.68 124.20 1bqp s LEU 177 Ca -0.01 -0.53 0.03 0.00 0.69 0.00 0.00 54.13 54.31 1bqp s LEU 177 Cb -0.12 -1.39 -0.01 0.00 -0.43 0.00 0.00 46.19 44.25 1bqp s LEU 177 CO -0.08 0.20 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.19 1bqp s THR 178 N 0.09 0.78 0.17 3.68 2.01 -0.19 -4.96 115.64 117.21 1bqp s THR 178 Ca -0.11 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 61.42 1bqp s THR 178 Cb -0.16 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1bqp s THR 178 CO 0.06 0.11 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.59 1bqp s TYR 179 N -0.44 2.42 0.08 4.92 4.12 -1.26 -0.86 117.35 126.33 1bqp s TYR 179 Ca 0.02 -0.31 -0.23 0.00 0.02 0.00 0.00 57.07 56.57 1bqp s TYR 179 Cb -0.05 -1.23 -0.15 0.00 -1.52 0.00 0.00 41.96 39.01 1bqp s TYR 179 CO 0.00 0.46 1.69 -1.35 0.02 0.00 0.00 175.55 176.37 1bqp h PRO 180 N 3.34 0.02 -0.03 -1.71 0.11 -1.99 -3.50 132.00 128.24 1bqp h PRO 180 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1bqp h PRO 180 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1bqp h PRO 180 CO 0.48 0.07 0.00 0.09 -0.21 0.00 0.00 178.00 178.42