#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npu s LEU 2 N 0.00 1.81 0.20 1.04 1.43 -1.26 -1.90 118.68 120.01 1npu s LEU 2 Ca 0.00 -0.24 0.10 0.00 -1.03 0.00 0.00 54.13 52.96 1npu s LEU 2 Cb 0.00 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1npu s LEU 2 CO 0.00 0.09 -0.15 0.42 0.23 0.00 0.00 176.35 176.94 1npu s THR 3 N 0.17 2.85 -0.17 5.49 -4.23 -0.86 -4.13 115.64 114.77 1npu s THR 3 Ca -0.04 -1.88 -0.05 0.00 -1.18 0.00 0.00 61.69 58.54 1npu s THR 3 Cb -0.10 -2.42 0.06 0.00 1.34 0.00 0.00 72.50 71.39 1npu s THR 3 CO 0.01 -0.16 0.12 0.12 -0.54 0.00 0.00 174.62 174.17 1npu s PHE 4 N -1.82 0.08 0.14 3.99 5.99 -1.26 -1.27 117.98 123.84 1npu s PHE 4 Ca 0.24 -0.16 0.06 0.00 0.00 0.00 0.00 56.93 57.08 1npu s PHE 4 Cb -0.08 -0.61 -0.04 0.00 0.00 0.00 0.00 43.02 42.29 1npu s PHE 4 CO 0.14 -0.51 -0.14 0.71 -0.00 0.00 0.00 175.22 175.42 1npu s TYR 5 N 2.18 1.47 0.69 10.12 4.12 -0.22 -4.32 117.35 131.40 1npu s TYR 5 Ca 0.03 -0.58 -0.14 0.00 0.02 0.00 0.00 57.07 56.41 1npu s TYR 5 Cb -0.16 -0.75 0.02 0.00 -1.52 0.00 0.00 41.96 39.55 1npu s TYR 5 CO -0.09 0.19 1.10 -2.14 0.02 0.00 0.00 175.55 174.63 1npu s PRO 6 N -2.99 2.63 0.30 -1.71 0.02 -1.26 0.13 135.00 132.11 1npu s PRO 6 Ca 0.13 1.32 0.10 0.00 0.02 0.00 0.00 61.00 62.57 1npu s PRO 6 Cb -0.03 -1.93 0.46 0.00 0.02 0.00 0.00 34.50 33.01 1npu s PRO 6 CO 0.04 -1.37 1.68 0.00 -0.33 0.00 0.00 177.00 177.01 1npu h ALA 7 N -0.33 1.09 -3.41 -1.55 0.00 -1.90 -3.41 119.26 109.74 1npu h ALA 7 Ca -0.46 -0.48 -0.31 0.00 0.00 0.00 0.00 54.91 53.66 1npu h ALA 7 Cb 1.24 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 18.60 1npu h ALA 7 CO 0.53 0.66 -0.71 -0.46 0.00 0.00 0.00 179.25 179.28 1npu s TRP 8 N -3.84 -0.01 -0.00 0.00 -0.00 -1.26 0.65 118.94 114.49 1npu s TRP 8 Ca -0.02 0.24 0.00 0.00 -0.00 0.00 0.00 56.10 56.32 1npu s TRP 8 Cb 0.13 -0.27 -0.00 0.00 -0.00 0.00 0.00 33.47 33.33 1npu s TRP 8 CO 0.76 -0.13 -0.01 -1.17 -0.00 0.00 0.00 176.95 176.39 1npu s LEU 9 N 1.39 2.00 -0.04 5.86 2.96 0.22 -4.96 118.68 126.11 1npu s LEU 9 Ca -0.05 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1npu s LEU 9 Cb -0.13 -0.06 0.00 0.00 0.50 0.00 0.00 46.19 46.50 1npu s LEU 9 CO -0.04 0.01 -0.12 0.28 -1.32 0.00 0.00 176.35 175.17 1npu s THR 10 N -0.03 1.03 0.07 3.68 -1.32 -1.26 -0.44 115.64 117.37 1npu s THR 10 Ca 0.00 -0.49 -0.01 0.00 -1.21 0.00 0.00 61.69 59.99 1npu s THR 10 Cb -0.00 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 1npu s THR 10 CO -0.00 0.31 0.00 0.68 -2.21 0.00 0.00 174.62 173.41 1npu s VAL 11 N 0.23 0.19 0.09 5.08 -7.23 -0.48 -4.97 120.40 113.31 1npu s VAL 11 Ca -0.05 -1.81 -0.16 0.00 -1.81 0.00 0.00 61.98 58.15 1npu s VAL 11 Cb -0.11 -1.65 -0.07 0.00 0.56 0.00 0.00 36.38 35.12 1npu s VAL 11 CO 0.01 -0.85 0.53 -0.44 -0.31 0.00 0.00 175.10 174.05 1npu s SER 12 N -2.95 6.92 0.15 4.85 0.01 -1.26 -0.50 113.70 120.91 1npu s SER 12 Ca 0.11 1.13 -0.33 0.00 1.31 0.00 0.00 55.95 58.17 1npu s SER 12 Cb 0.08 -2.31 -0.17 0.00 0.21 0.00 0.00 66.02 63.83 1npu s SER 12 CO -0.07 0.21 1.08 1.21 0.41 0.00 0.00 173.24 176.08 1npu n GLU 13 N 1.34 0.84 0.00 12.44 2.13 0.12 -1.04 120.64 136.47 1npu n GLU 13 Ca -0.09 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1npu n GLU 13 Cb 0.51 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1npu n GLU 13 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1npu n GLY 14 N 1.95 2.98 3.90 8.31 0.00 0.12 -4.40 105.19 118.03 1npu n GLY 14 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1npu n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1npu s ALA 15 N -2.96 3.13 0.25 4.61 0.00 -0.20 -4.14 121.76 122.45 1npu s ALA 15 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 1npu s ALA 15 Cb 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 1npu s ALA 15 CO 0.00 -0.87 0.52 0.54 0.00 0.00 0.00 175.76 175.95 1npu s ASN 16 N -4.29 6.49 -0.08 0.00 6.03 -1.26 -1.77 114.94 120.06 1npu s ASN 16 Ca 0.55 0.73 0.05 0.00 -1.03 0.00 0.00 52.86 53.15 1npu s ASN 16 Cb -0.11 -2.15 -0.00 0.00 -3.03 0.00 0.00 41.25 35.96 1npu s ASN 16 CO 0.49 -0.13 -0.24 0.00 -2.03 0.00 0.00 177.10 175.19 1npu s ALA 17 N -1.95 2.18 -0.15 3.54 0.00 -0.35 -4.95 121.76 120.07 1npu s ALA 17 Ca 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1npu s ALA 17 Cb -0.11 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1npu s ALA 17 CO 0.27 0.34 -0.14 0.99 0.00 0.00 0.00 175.76 177.22 1npu s THR 18 N 0.14 1.57 0.22 0.00 2.01 -1.26 -0.09 115.64 118.23 1npu s THR 18 Ca -0.13 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.29 1npu s THR 18 Cb -0.16 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1npu s THR 18 CO 0.07 0.45 0.17 -0.36 -0.69 0.00 0.00 174.62 174.26 1npu s PHE 19 N 1.49 3.12 -0.13 4.92 0.40 -0.46 -4.62 117.98 122.70 1npu s PHE 19 Ca 0.05 -0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1npu s PHE 19 Cb -0.13 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 41.97 1npu s PHE 19 CO -0.11 0.52 -0.22 0.99 0.70 0.00 0.00 175.22 177.10 1npu s THR 20 N -1.99 2.04 -0.25 0.64 2.01 0.35 0.37 115.64 118.81 1npu s THR 20 Ca 0.32 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 1npu s THR 20 Cb -0.09 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1npu s THR 20 CO 0.24 0.55 0.06 0.00 -0.69 0.00 0.00 174.62 174.78 1npu s SER 22 N 1.58 4.12 0.14 0.00 0.01 -0.39 -1.00 113.70 118.16 1npu s SER 22 Ca 0.06 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1npu s SER 22 Cb -0.15 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 1npu s SER 22 CO 0.03 0.15 0.27 -0.76 0.41 0.00 0.00 173.24 173.34 1npu s LEU 23 N 0.47 4.32 0.00 2.44 1.43 -0.57 -2.02 118.68 124.74 1npu s LEU 23 Ca -0.08 0.17 0.23 0.00 -1.03 0.00 0.00 54.13 53.42 1npu s LEU 23 Cb -0.16 -2.90 0.19 0.00 0.03 0.00 0.00 46.19 43.36 1npu s LEU 23 CO 0.04 0.06 1.20 -1.54 0.23 0.00 0.00 176.35 176.34 1npu n SER 24 N -0.47 1.03 -3.70 2.29 3.41 -0.80 -4.88 113.62 110.50 1npu n SER 24 Ca -0.07 -0.84 -0.14 0.00 -0.26 0.00 0.00 58.87 57.56 1npu n SER 24 Cb 0.54 0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 64.94 1npu n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1npu s ASN 25 N -2.83 -0.38 -0.04 4.04 4.22 -1.26 -4.91 114.94 113.78 1npu s ASN 25 Ca 0.13 0.49 -0.07 0.00 -2.14 0.00 0.00 52.86 51.27 1npu s ASN 25 Cb 0.17 0.57 0.01 0.00 1.28 0.00 0.00 41.25 43.28 1npu s ASN 25 CO 0.71 -0.38 0.18 0.86 -2.04 0.00 0.00 177.10 176.43 1npu s TRP 26 N -0.76 -0.11 0.04 1.54 -0.00 -1.26 -5.03 118.94 113.36 1npu s TRP 26 Ca -0.08 0.24 -0.05 0.00 -0.00 0.00 0.00 56.10 56.20 1npu s TRP 26 Cb -0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 33.47 33.45 1npu s TRP 26 CO 0.04 -0.20 0.08 -1.12 -0.00 0.00 0.00 176.95 175.75 1npu s SER 27 N -0.60 0.20 0.26 5.86 0.01 -1.26 -5.05 113.70 113.13 1npu s SER 27 Ca -0.07 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 1npu s SER 27 Cb -0.04 0.22 0.50 0.00 0.21 0.00 0.00 66.02 66.91 1npu s SER 27 CO 0.01 -0.50 1.80 -0.33 0.41 0.00 0.00 173.24 174.63 1npu h GLU 28 N 3.69 0.76 -0.36 12.44 3.07 -2.01 -1.61 114.58 130.56 1npu h GLU 28 Ca -0.33 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 1npu h GLU 28 Cb 1.18 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1npu h GLU 28 CO 0.51 0.50 0.00 -0.40 -1.40 0.00 0.00 179.01 178.22 1npu n ASP 29 N -4.76 1.87 -4.77 1.42 5.68 -1.26 -4.30 116.55 110.43 1npu n ASP 29 Ca 0.17 -2.02 -0.39 0.00 -0.50 0.00 0.00 54.79 52.04 1npu n ASP 29 Cb 0.37 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1npu n ASP 29 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1npu s LEU 30 N -1.01 4.12 -0.21 -2.12 2.96 -0.61 -4.14 118.68 117.67 1npu s LEU 30 Ca 0.23 2.62 -0.05 0.00 -0.22 0.00 0.00 54.13 56.70 1npu s LEU 30 Cb 0.12 -4.02 -0.02 0.00 0.50 0.00 0.00 46.19 42.77 1npu s LEU 30 CO 0.15 -0.98 -0.00 -0.32 -1.32 0.00 0.00 176.35 173.88 1npu s MET 31 N -2.43 3.56 -0.09 1.98 1.75 0.71 -4.56 119.30 120.23 1npu s MET 31 Ca 0.60 -0.54 -0.04 0.00 -1.25 0.00 0.00 55.69 54.46 1npu s MET 31 Cb -0.37 -3.09 -0.04 0.00 2.84 0.00 0.00 34.83 34.17 1npu s MET 31 CO 0.46 -0.06 0.07 -0.51 -0.65 0.00 0.00 175.02 174.33 1npu s LEU 32 N 1.19 3.97 0.02 4.11 2.01 0.85 0.39 118.68 131.22 1npu s LEU 32 Ca 0.03 0.28 0.05 0.00 0.01 0.00 0.00 54.13 54.50 1npu s LEU 32 Cb -0.15 -1.99 -0.02 0.00 0.01 0.00 0.00 46.19 44.05 1npu s LEU 32 CO 0.01 0.38 -0.15 0.20 1.01 0.00 0.00 176.35 177.80 1npu s ASN 33 N -1.06 1.76 -0.18 2.29 0.02 0.56 0.44 114.94 118.77 1npu s ASN 33 Ca 0.15 -0.40 0.01 0.00 -1.02 0.00 0.00 52.86 51.61 1npu s ASN 33 Cb -0.12 -0.14 0.02 0.00 0.02 0.00 0.00 41.25 41.03 1npu s ASN 33 CO 0.05 0.10 -0.19 0.86 0.02 0.00 0.00 177.10 177.93 1npu s TRP 34 N -0.67 2.81 0.30 2.20 -0.11 -0.12 -0.53 118.94 122.82 1npu s TRP 34 Ca 0.04 -1.68 0.11 0.00 1.22 0.00 0.00 56.10 55.78 1npu s TRP 34 Cb -0.07 -1.92 -0.06 0.00 -1.50 0.00 0.00 33.47 29.92 1npu s TRP 34 CO 0.01 -0.81 -0.15 -0.80 -4.62 0.00 0.00 176.95 170.58 1npu s ASN 35 N 1.28 3.69 -0.01 5.86 0.02 0.10 0.47 114.94 126.36 1npu s ASN 35 Ca 0.04 -1.07 0.01 0.00 -1.02 0.00 0.00 52.86 50.82 1npu s ASN 35 Cb -0.13 -0.34 0.00 0.00 0.02 0.00 0.00 41.25 40.80 1npu s ASN 35 CO -0.12 -0.06 -0.03 -0.60 0.02 0.00 0.00 177.10 176.31 1npu s ARG 36 N -3.56 0.29 -0.01 -0.60 3.52 -0.18 -1.71 118.95 116.70 1npu s ARG 36 Ca 0.31 -0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.52 1npu s ARG 36 Cb -0.02 -0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 1npu s ARG 36 CO 0.16 0.04 1.15 -0.51 -0.81 0.00 0.00 175.30 175.32 1npu s LEU 37 N 0.11 4.32 0.85 -0.88 1.43 0.14 -1.31 118.68 123.35 1npu s LEU 37 Ca -0.01 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.80 1npu s LEU 37 Cb -0.03 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.73 1npu s LEU 37 CO -0.00 -0.48 1.21 -0.94 0.23 0.00 0.00 176.35 176.37 1npu s SER 38 N 1.23 4.11 0.54 2.29 1.04 0.57 -4.62 113.70 118.86 1npu s SER 38 Ca 0.56 0.67 0.22 0.00 0.48 0.00 0.00 55.95 57.87 1npu s SER 38 Cb -0.25 -1.06 1.46 0.00 0.10 0.00 0.00 66.02 66.28 1npu s SER 38 CO 0.25 -2.15 2.17 -0.65 0.98 0.00 0.00 173.24 173.84 1npu h PRO 39 N -1.23 0.00 -0.63 4.02 0.11 -1.95 0.10 132.00 132.42 1npu h PRO 39 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1npu h PRO 39 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1npu h PRO 39 CO 0.59 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 1npu n SER 40 N -4.20 2.82 -3.61 -2.05 3.41 -1.26 -4.91 113.62 103.83 1npu n SER 40 Ca -0.03 -2.29 -0.23 0.00 -0.26 0.00 0.00 58.87 56.07 1npu n SER 40 Cb 0.11 -0.46 0.07 0.00 -0.26 0.00 0.00 64.21 63.67 1npu n SER 40 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1npu n ASN 41 N 0.41 -4.38 -4.37 4.04 3.02 0.36 -5.01 115.26 109.33 1npu n ASN 41 Ca 0.13 -0.63 -0.30 0.00 -0.03 0.00 0.00 54.58 53.75 1npu n ASN 41 Cb 0.57 -4.77 -0.14 0.00 -0.61 0.00 0.00 39.78 34.82 1npu n ASN 41 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1npu s GLN 42 N -6.07 1.91 -0.21 3.52 -1.52 -1.26 -4.82 119.66 111.22 1npu s GLN 42 Ca 0.38 -1.05 -0.29 0.00 -1.95 0.00 0.00 55.36 52.44 1npu s GLN 42 Cb -0.17 -2.04 0.00 0.00 -0.22 0.00 0.00 33.01 30.58 1npu s GLN 42 CO 0.76 0.53 1.08 0.99 -0.25 0.00 0.00 175.29 178.39 1npu s THR 43 N -0.81 4.61 -0.09 -0.19 2.01 -1.26 -0.31 115.64 119.60 1npu s THR 43 Ca 0.12 1.94 0.04 0.00 0.31 0.00 0.00 61.69 64.10 1npu s THR 43 Cb -0.10 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1npu s THR 43 CO 0.02 -0.16 -0.22 -1.61 -0.69 0.00 0.00 174.62 171.97 1npu s GLU 44 N 3.14 2.81 0.11 4.92 2.02 -0.43 -4.94 118.70 126.33 1npu s GLU 44 Ca 0.46 -0.80 -0.31 0.00 0.02 0.00 0.00 54.97 54.34 1npu s GLU 44 Cb -0.17 -2.14 -0.08 0.00 0.10 0.00 0.00 34.13 31.84 1npu s GLU 44 CO 0.09 0.16 1.34 0.21 0.02 0.00 0.00 175.26 177.08 1npu s LYS 45 N 0.37 4.35 -0.20 1.61 2.20 -1.26 -1.01 119.74 125.80 1npu s LYS 45 Ca -0.18 2.00 0.17 0.00 -0.36 0.00 0.00 55.97 57.61 1npu s LYS 45 Cb -0.17 -3.26 -0.25 0.00 -1.51 0.00 0.00 37.83 32.64 1npu s LYS 45 CO 0.08 -0.38 0.06 1.04 -0.36 0.00 0.00 175.35 175.79 1npu n GLN 46 N 3.80 0.70 -3.54 4.03 1.13 0.18 -4.76 117.38 118.92 1npu n GLN 46 Ca 0.10 -0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.09 1npu n GLN 46 Cb 0.43 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 1npu n GLN 46 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1npu s ALA 47 N -2.49 -1.90 0.12 -1.58 0.00 -1.15 -2.26 121.76 112.50 1npu s ALA 47 Ca -0.11 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.08 1npu s ALA 47 Cb 0.06 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1npu s ALA 47 CO 0.82 -0.67 -0.10 0.00 0.00 0.00 0.00 175.76 175.82 1npu s ALA 48 N -2.89 1.26 -0.03 0.00 0.00 0.09 -0.94 121.76 119.24 1npu s ALA 48 Ca 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1npu s ALA 48 Cb -0.01 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1npu s ALA 48 CO -0.07 -0.09 -0.00 0.12 0.00 0.00 0.00 175.76 175.71 1npu s PHE 49 N -3.02 0.36 -0.12 0.00 5.36 0.17 0.71 117.98 121.44 1npu s PHE 49 Ca 0.12 -0.02 -0.29 0.00 -0.96 0.00 0.00 56.93 55.77 1npu s PHE 49 Cb 0.01 -0.45 0.08 0.00 -0.34 0.00 0.00 43.02 42.31 1npu s PHE 49 CO -0.00 -0.14 0.72 -1.54 -1.46 0.00 0.00 175.22 172.79 1npu s SER 50 N 1.07 -0.66 -1.58 6.13 1.04 -0.95 -0.10 113.70 118.64 1npu s SER 50 Ca -0.09 0.90 -0.15 0.00 0.48 0.00 0.00 55.95 57.09 1npu s SER 50 Cb -0.14 0.78 0.11 0.00 0.10 0.00 0.00 66.02 66.87 1npu s SER 50 CO -0.02 -0.48 0.89 0.59 0.98 0.00 0.00 173.24 175.20 1npu n ASN 51 N 1.41 -4.05 0.00 7.02 3.02 -1.26 -1.01 115.26 120.39 1npu n ASN 51 Ca -0.17 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1npu n ASN 51 Cb 0.56 -3.48 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 1npu n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1npu n GLY 52 N -1.60 0.72 3.41 7.41 0.00 -1.26 -5.00 105.19 108.86 1npu n GLY 52 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1npu n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1npu s LEU 53 N 0.00 2.96 -0.11 0.99 2.96 -0.18 -5.00 118.68 120.30 1npu s LEU 53 Ca 0.00 -0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 53.37 1npu s LEU 53 Cb 0.00 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1npu s LEU 53 CO 0.00 0.12 0.92 -0.55 -1.32 0.00 0.00 176.35 175.52 1npu s SER 54 N 0.61 7.14 -0.29 3.68 0.15 -1.26 -2.24 113.70 121.48 1npu s SER 54 Ca -0.05 1.39 0.03 0.00 0.70 0.00 0.00 55.95 58.02 1npu s SER 54 Cb -0.15 -2.51 0.08 0.00 -1.71 0.00 0.00 66.02 61.73 1npu s SER 54 CO 0.03 -0.38 -0.02 -1.10 1.20 0.00 0.00 173.24 172.97 1npu s GLN 55 N 1.84 1.73 0.33 5.44 -0.21 0.22 -4.97 119.66 124.05 1npu s GLN 55 Ca 0.44 -1.51 -0.28 0.00 0.02 0.00 0.00 55.36 54.04 1npu s GLN 55 Cb -0.18 -2.92 -0.10 0.00 1.00 0.00 0.00 33.01 30.81 1npu s GLN 55 CO 0.17 -0.76 1.21 -2.14 -2.12 0.00 0.00 175.29 171.65 1npu s PRO 56 N 1.09 4.36 -0.06 2.91 0.02 -1.26 -0.73 135.00 141.33 1npu s PRO 56 Ca 0.01 2.00 -0.24 0.00 0.02 0.00 0.00 61.00 62.79 1npu s PRO 56 Cb -0.19 -3.01 -0.19 0.00 0.02 0.00 0.00 34.50 31.13 1npu s PRO 56 CO -0.08 -0.10 0.96 0.28 -0.33 0.00 0.00 177.00 177.73 1npu h VAL 57 N 2.87 1.23 0.00 3.83 2.07 -1.75 -3.44 116.25 121.06 1npu h VAL 57 Ca -0.48 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1npu h VAL 57 Cb 1.22 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1npu h VAL 57 CO 0.65 0.33 0.00 0.00 0.02 0.00 0.00 177.57 178.57 1npu n GLN 58 N -4.83 3.25 -4.03 1.57 10.64 -1.26 -5.05 117.38 117.67 1npu n GLN 58 Ca -0.08 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.77 1npu n GLN 58 Cb 0.30 -0.27 -0.15 0.00 -0.86 0.00 0.00 30.24 29.26 1npu n GLN 58 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1npu s ASP 59 N 0.00 4.64 0.00 2.61 -1.08 -1.26 -4.97 116.67 116.60 1npu s ASP 59 Ca 0.00 -1.72 0.08 0.00 -0.52 0.00 0.00 52.55 50.39 1npu s ASP 59 Cb 0.00 -1.60 0.41 0.00 -1.46 0.00 0.00 42.92 40.27 1npu s ASP 59 CO 0.00 -0.28 1.05 0.00 0.52 0.00 0.00 175.17 176.45 1npu n ALA 60 N 4.38 1.62 0.23 3.66 0.00 -1.26 -2.08 120.51 127.05 1npu n ALA 60 Ca -0.06 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1npu n ALA 60 Cb 0.42 -1.13 0.45 0.00 0.00 0.00 0.00 19.45 19.19 1npu n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1npu h ARG 61 N 0.00 0.00 -5.47 0.00 3.08 -1.93 -3.40 114.38 106.67 1npu h ARG 61 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1npu h ARG 61 Cb 0.05 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.95 1npu h ARG 61 CO 0.00 0.19 0.80 -0.06 -1.07 0.00 0.00 179.97 179.84 1npu s PHE 62 N -3.58 2.77 -0.11 3.04 0.40 -0.88 -0.53 117.98 119.08 1npu s PHE 62 Ca 0.01 -0.82 -0.06 0.00 -0.60 0.00 0.00 56.93 55.45 1npu s PHE 62 Cb 0.09 -4.37 -0.04 0.00 0.51 0.00 0.00 43.02 39.22 1npu s PHE 62 CO 0.63 -1.67 0.13 -0.65 0.70 0.00 0.00 175.22 174.36 1npu s GLN 63 N 3.86 3.39 -0.22 0.44 -0.21 0.41 -4.66 119.66 122.68 1npu s GLN 63 Ca 0.30 -0.16 -0.04 0.00 0.02 0.00 0.00 55.36 55.48 1npu s GLN 63 Cb -0.10 -3.14 -0.01 0.00 1.00 0.00 0.00 33.01 30.76 1npu s GLN 63 CO 0.01 0.77 -0.05 0.42 -2.12 0.00 0.00 175.29 174.32 1npu s ILE 64 N -1.02 3.31 -0.13 1.08 1.01 -1.26 0.18 121.20 124.37 1npu s ILE 64 Ca 0.15 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1npu s ILE 64 Cb -0.12 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1npu s ILE 64 CO 0.04 0.43 -0.22 -0.63 0.00 0.00 0.00 174.94 174.56 1npu s ILE 65 N 1.47 2.05 -0.11 2.92 1.01 0.10 -4.47 121.20 124.17 1npu s ILE 65 Ca 0.06 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.44 1npu s ILE 65 Cb -0.14 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1npu s ILE 65 CO -0.04 0.55 0.97 -1.58 0.00 0.00 0.00 174.94 174.84 1npu s GLN 66 N 0.73 4.41 0.75 2.79 0.74 -1.26 0.88 119.66 128.70 1npu s GLN 66 Ca -0.09 1.32 -0.11 0.00 0.05 0.00 0.00 55.36 56.52 1npu s GLN 66 Cb -0.16 -3.54 0.04 0.00 1.10 0.00 0.00 33.01 30.45 1npu s GLN 66 CO 0.00 -0.29 1.10 -0.51 -0.55 0.00 0.00 175.29 175.04 1npu s LEU 67 N 1.95 2.75 0.29 3.68 1.43 0.56 -4.91 118.68 124.44 1npu s LEU 67 Ca 0.47 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.81 1npu s LEU 67 Cb -0.18 -3.91 0.73 0.00 0.03 0.00 0.00 46.19 42.87 1npu s LEU 67 CO 0.18 -1.64 1.73 -0.65 0.23 0.00 0.00 176.35 176.19 1npu h PRO 68 N -0.86 0.52 0.00 1.29 0.11 -1.96 0.66 132.00 131.76 1npu h PRO 68 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1npu h PRO 68 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1npu h PRO 68 CO 0.62 0.34 0.00 0.27 -0.21 0.00 0.00 178.00 179.02 1npu n ASN 69 N -4.94 0.00 0.00 -2.05 0.23 -1.26 -4.86 115.26 102.38 1npu n ASN 69 Ca 0.23 -0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 1npu n ASN 69 Cb 0.63 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 1npu n ASN 69 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1npu n ARG 70 N -1.13 0.00 0.00 -3.83 1.74 0.22 -4.62 116.66 109.04 1npu n ARG 70 Ca 0.09 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.28 1npu n ARG 70 Cb 0.08 -1.68 0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1npu n ARG 70 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1npu n HIS 71 N -0.69 0.00 -4.71 -1.55 1.44 -1.26 -4.82 115.22 103.63 1npu n HIS 71 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1npu n HIS 71 Cb 0.00 -0.04 -0.12 0.00 0.12 0.00 0.00 29.99 29.95 1npu n HIS 71 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1npu s ASP 72 N -2.53 4.15 0.04 4.39 1.01 -1.26 -1.52 116.67 120.96 1npu s ASP 72 Ca 0.19 -0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.25 1npu s ASP 72 Cb 0.18 -0.86 -0.02 0.00 1.01 0.00 0.00 42.92 43.23 1npu s ASP 72 CO 0.58 0.31 -0.10 -0.36 0.21 0.00 0.00 175.17 175.80 1npu s PHE 73 N -0.85 0.88 -0.21 4.23 0.40 -0.17 -0.32 117.98 121.94 1npu s PHE 73 Ca 0.14 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.93 1npu s PHE 73 Cb -0.11 -0.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.86 1npu s PHE 73 CO 0.04 -0.02 0.29 -1.01 0.70 0.00 0.00 175.22 175.22 1npu s HIS 74 N -1.06 3.36 -0.65 0.36 3.76 0.25 -0.63 115.29 120.69 1npu s HIS 74 Ca -0.04 0.45 -0.14 0.00 -0.15 0.00 0.00 55.06 55.18 1npu s HIS 74 Cb -0.08 -2.40 0.17 0.00 1.11 0.00 0.00 32.58 31.37 1npu s HIS 74 CO 0.01 0.05 0.59 -1.64 -0.85 0.00 0.00 174.74 172.90 1npu s MET 75 N 1.11 3.17 -0.32 1.40 1.00 0.16 0.02 119.30 125.83 1npu s MET 75 Ca 0.14 -2.04 -0.14 0.00 0.00 0.00 0.00 55.69 53.65 1npu s MET 75 Cb -0.14 -4.30 -0.02 0.00 0.00 0.00 0.00 34.83 30.37 1npu s MET 75 CO 0.06 -1.30 0.31 1.21 0.00 0.00 0.00 175.02 175.30 1npu s ASN 76 N 2.84 6.13 -0.39 3.03 3.04 0.13 -1.35 114.94 128.37 1npu s ASN 76 Ca 0.10 -0.16 -0.17 0.00 0.04 0.00 0.00 52.86 52.67 1npu s ASN 76 Cb -0.21 -2.17 0.01 0.00 -1.54 0.00 0.00 41.25 37.33 1npu s ASN 76 CO -0.02 -0.24 0.46 -0.63 -3.04 0.00 0.00 177.10 173.63 1npu s ILE 77 N 1.91 5.06 0.32 -5.21 1.01 0.87 -0.44 121.20 124.72 1npu s ILE 77 Ca 0.10 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 1npu s ILE 77 Cb -0.17 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.21 1npu s ILE 77 CO 0.11 -0.34 0.83 -0.76 0.00 0.00 0.00 174.94 174.77 1npu s LEU 78 N 2.25 4.15 -1.10 2.97 1.43 0.31 -1.21 118.68 127.48 1npu s LEU 78 Ca 0.15 1.52 -0.23 0.00 -1.03 0.00 0.00 54.13 54.53 1npu s LEU 78 Cb -0.16 -4.06 0.02 0.00 0.03 0.00 0.00 46.19 42.02 1npu s LEU 78 CO 0.14 -0.16 0.71 -0.67 0.23 0.00 0.00 176.35 176.60 1npu n ASP 79 N 0.01 -4.79 -4.71 2.29 2.03 -1.26 -4.81 116.55 105.31 1npu n ASP 79 Ca 0.03 -1.11 -0.35 0.00 0.52 0.00 0.00 54.79 53.88 1npu n ASP 79 Cb 0.52 -2.34 0.10 0.00 -0.72 0.00 0.00 41.12 38.68 1npu n ASP 79 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1npu s THR 80 N -3.39 2.06 0.12 5.18 -4.23 -0.73 -4.63 115.64 110.02 1npu s THR 80 Ca 0.39 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.97 1npu s THR 80 Cb -0.18 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1npu s THR 80 CO 0.92 -0.01 -0.09 0.00 -0.54 0.00 0.00 174.62 174.89 1npu s ARG 81 N -3.77 0.94 0.26 3.99 1.70 -1.26 0.10 118.95 120.91 1npu s ARG 81 Ca 0.78 -1.32 -0.06 0.00 -0.47 0.00 0.00 55.73 54.65 1npu s ARG 81 Cb -0.33 -0.50 0.47 0.00 -0.57 0.00 0.00 34.95 34.02 1npu s ARG 81 CO 0.45 0.06 1.60 0.00 -1.08 0.00 0.00 175.30 176.33 1npu h ARG 82 N 3.10 0.04 -0.09 3.89 2.47 -1.88 0.34 114.38 122.25 1npu h ARG 82 Ca -0.37 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1npu h ARG 82 Cb 1.18 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1npu h ARG 82 CO 0.60 0.03 0.00 0.27 0.56 0.00 0.00 179.97 181.43 1npu n ASN 83 N -5.45 0.09 0.07 7.04 0.23 -1.26 -1.24 115.26 114.75 1npu n ASN 83 Ca 0.15 -1.40 0.12 0.00 -0.53 0.00 0.00 54.58 52.92 1npu n ASN 83 Cb 0.51 -0.05 0.21 0.00 -2.08 0.00 0.00 39.78 38.37 1npu n ASN 83 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1npu h ASP 84 N 0.04 0.00 -2.32 0.53 3.32 -1.32 -3.45 116.42 113.22 1npu h ASP 84 Ca 0.00 -0.17 -0.57 0.00 0.02 0.00 0.00 57.03 56.32 1npu h ASP 84 Cb 0.05 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.64 1npu h ASP 84 CO 0.00 0.08 0.98 -1.20 -1.72 0.00 0.00 179.24 177.38 1npu n SER 85 N -2.17 3.55 0.00 6.45 7.64 -0.37 -4.82 113.62 123.90 1npu n SER 85 Ca 0.04 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1npu n SER 85 Cb 0.44 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1npu n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1npu n GLY 86 N 3.94 -0.83 3.55 0.23 0.00 -0.64 -5.00 105.19 106.45 1npu n GLY 86 Ca 0.18 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1npu n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1npu s ILE 87 N -3.00 4.23 0.27 -0.61 -1.09 -1.26 -1.37 121.20 118.37 1npu s ILE 87 Ca 0.00 -0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.23 1npu s ILE 87 Cb 0.00 -2.87 -0.06 0.00 -1.58 0.00 0.00 42.46 37.95 1npu s ILE 87 CO 0.00 0.49 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.88 1npu s TYR 88 N 0.32 1.77 0.18 3.97 1.51 -0.11 -0.68 117.35 124.31 1npu s TYR 88 Ca -0.01 -0.86 -0.23 0.00 -1.01 0.00 0.00 57.07 54.95 1npu s TYR 88 Cb -0.13 -1.06 0.06 0.00 -0.11 0.00 0.00 41.96 40.72 1npu s TYR 88 CO 0.02 0.07 0.74 -0.48 -1.11 0.00 0.00 175.55 174.79 1npu s LEU 89 N -3.39 -0.37 0.32 -1.29 2.34 -0.69 0.30 118.68 115.89 1npu s LEU 89 Ca 0.31 -0.28 0.10 0.00 0.06 0.00 0.00 54.13 54.32 1npu s LEU 89 Cb 0.06 2.49 -0.06 0.00 -0.56 0.00 0.00 46.19 48.13 1npu s LEU 89 CO 0.11 -1.04 -0.07 0.00 -1.06 0.00 0.00 176.35 174.29 1npu s GLY 91 N -3.63 0.28 -0.03 0.00 0.00 0.31 -1.22 107.32 103.02 1npu s GLY 91 Ca 0.33 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1npu s GLY 91 CO 0.18 -0.93 -0.04 0.00 0.00 0.00 0.00 173.10 172.30 1npu s ALA 92 N -3.09 0.58 -0.17 3.20 0.00 -0.33 -0.32 121.76 121.63 1npu s ALA 92 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 1npu s ALA 92 Cb 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1npu s ALA 92 CO -0.07 0.02 -0.14 0.42 0.00 0.00 0.00 175.76 175.99 1npu s ILE 93 N 0.66 2.67 -0.32 0.00 1.01 0.16 -2.09 121.20 123.28 1npu s ILE 93 Ca -0.08 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.60 1npu s ILE 93 Cb -0.12 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 1npu s ILE 93 CO -0.00 0.50 0.69 -0.44 0.00 0.00 0.00 174.94 175.69 1npu s SER 94 N 1.05 6.54 -0.70 3.58 0.01 0.11 -0.21 113.70 124.07 1npu s SER 94 Ca -0.01 0.44 -0.00 0.00 1.31 0.00 0.00 55.95 57.69 1npu s SER 94 Cb -0.15 -2.36 0.39 0.00 0.21 0.00 0.00 66.02 64.12 1npu s SER 94 CO -0.04 -0.56 1.83 0.18 0.41 0.00 0.00 173.24 175.06 1npu n LEU 95 N 6.05 6.95 0.00 2.44 4.77 -1.26 -2.69 117.00 133.26 1npu n LEU 95 Ca 0.01 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.22 1npu n LEU 95 Cb 0.49 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1npu n LEU 95 CO 0.48 1.79 0.00 1.41 -1.33 0.00 0.00 177.39 179.75 1npu n HIS 96 N -0.63 0.00 -0.01 -1.77 -0.00 -1.26 -4.96 115.22 106.60 1npu n HIS 96 Ca 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 58.25 1npu n HIS 96 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.44 1npu n HIS 96 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1npu n PRO 97 N 0.00 -0.01 -3.82 -0.41 -0.04 -1.26 -4.26 135.00 125.20 1npu n PRO 97 Ca 0.00 0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.48 1npu n PRO 97 Cb 0.00 -0.23 -0.14 0.00 -0.04 0.00 0.00 33.50 33.09 1npu n PRO 97 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1npu s LYS 98 N -3.24 0.06 0.04 0.54 2.20 -1.26 -5.12 119.74 112.97 1npu s LYS 98 Ca -0.00 0.15 -0.35 0.00 -0.36 0.00 0.00 55.97 55.41 1npu s LYS 98 Cb 0.00 -0.03 -0.14 0.00 -1.51 0.00 0.00 37.83 36.15 1npu s LYS 98 CO 0.01 -0.05 1.67 0.00 -0.36 0.00 0.00 175.35 176.61 1npu n ALA 99 N 3.37 0.83 -3.72 3.13 0.00 -1.25 -4.81 120.51 118.06 1npu n ALA 99 Ca -0.16 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.47 1npu n ALA 99 Cb 0.57 -2.36 -0.17 0.00 0.00 0.00 0.00 19.45 17.49 1npu n ALA 99 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1npu s LYS 100 N 2.12 0.34 0.04 0.00 -0.14 -1.10 -4.95 119.74 116.05 1npu s LYS 100 Ca 0.85 0.15 0.07 0.00 -1.36 0.00 0.00 55.97 55.68 1npu s LYS 100 Cb -0.74 -0.66 -0.03 0.00 -1.68 0.00 0.00 37.83 34.72 1npu s LYS 100 CO 0.45 -0.23 -0.17 0.42 -0.76 0.00 0.00 175.35 175.06 1npu s ILE 101 N 1.58 2.88 -0.00 2.17 1.01 -1.26 -0.71 121.20 126.86 1npu s ILE 101 Ca -0.02 -1.15 -0.19 0.00 0.00 0.00 0.00 60.65 59.29 1npu s ILE 101 Cb -0.13 -2.22 0.03 0.00 0.01 0.00 0.00 42.46 40.16 1npu s ILE 101 CO -0.03 0.34 0.40 -1.83 0.00 0.00 0.00 174.94 173.82 1npu s GLU 102 N -1.46 0.81 0.19 2.79 -1.05 -0.89 -5.01 118.70 114.09 1npu s GLU 102 Ca 0.15 -0.16 0.10 0.00 -0.15 0.00 0.00 54.97 54.91 1npu s GLU 102 Cb -0.11 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 1npu s GLU 102 CO 0.06 -0.25 -0.19 -1.21 0.95 0.00 0.00 175.26 174.62 1npu s GLU 103 N -1.62 1.39 0.60 -4.83 2.02 -1.26 -1.18 118.70 113.81 1npu s GLU 103 Ca -0.11 -1.50 0.02 0.00 0.02 0.00 0.00 54.97 53.40 1npu s GLU 103 Cb -0.03 -1.48 0.07 0.00 0.10 0.00 0.00 34.13 32.80 1npu s GLU 103 CO 0.04 0.30 0.84 -1.54 0.02 0.00 0.00 175.26 174.91 1npu s SER 104 N -2.86 4.96 0.80 -0.19 1.04 -0.36 -4.68 113.70 112.42 1npu s SER 104 Ca 0.19 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.23 1npu s SER 104 Cb -0.06 -0.39 0.07 0.00 0.10 0.00 0.00 66.02 65.75 1npu s SER 104 CO 0.08 -1.39 1.10 -2.84 0.98 0.00 0.00 173.24 171.17 1npu s PRO 105 N -4.85 2.01 0.75 4.02 0.02 -1.26 -4.68 135.00 131.01 1npu s PRO 105 Ca 0.61 1.16 -0.12 0.00 0.02 0.00 0.00 61.00 62.67 1npu s PRO 105 Cb -0.08 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.61 1npu s PRO 105 CO 0.40 -1.81 1.12 0.20 -0.33 0.00 0.00 177.00 176.57 1npu s GLY 106 N -3.33 1.62 0.03 0.52 0.00 -1.26 -4.59 107.32 100.32 1npu s GLY 106 Ca 0.62 -0.39 -0.00 0.00 0.00 0.00 0.00 44.72 44.94 1npu s GLY 106 CO 0.56 0.02 -0.03 0.00 0.00 0.00 0.00 173.10 173.65 1npu s ALA 107 N -3.37 0.30 -0.07 3.20 0.00 0.15 -4.92 121.76 117.04 1npu s ALA 107 Ca 0.60 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1npu s ALA 107 Cb -0.12 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1npu s ALA 107 CO 0.52 -0.25 -0.06 -2.00 0.00 0.00 0.00 175.76 173.96 1npu s GLU 108 N -2.59 2.82 -0.07 0.00 2.12 0.21 -0.94 118.70 120.25 1npu s GLU 108 Ca -0.05 -0.53 0.05 0.00 0.36 0.00 0.00 54.97 54.80 1npu s GLU 108 Cb -0.02 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.74 1npu s GLU 108 CO -0.05 0.65 -0.25 -1.17 -0.54 0.00 0.00 175.26 173.90 1npu s LEU 109 N -0.76 2.08 -0.16 2.70 2.96 -0.47 -0.61 118.68 124.41 1npu s LEU 109 Ca 0.12 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1npu s LEU 109 Cb -0.11 -1.39 0.03 0.00 0.50 0.00 0.00 46.19 45.22 1npu s LEU 109 CO 0.02 0.21 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.44 1npu s VAL 110 N 0.04 1.56 -0.30 1.68 1.01 0.41 -1.62 120.40 123.18 1npu s VAL 110 Ca -0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 1npu s VAL 110 Cb -0.15 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1npu s VAL 110 CO 0.06 0.38 0.13 -0.69 0.00 0.00 0.00 175.10 174.97 1npu s VAL 111 N 1.48 4.43 0.60 2.92 1.01 -1.26 -1.38 120.40 128.20 1npu s VAL 111 Ca 0.03 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1npu s VAL 111 Cb -0.14 -3.25 0.11 0.00 0.00 0.00 0.00 36.38 33.10 1npu s VAL 111 CO -0.10 0.09 0.82 0.35 0.00 0.00 0.00 175.10 176.26 1npu n THR 112 N 4.95 0.00 -1.13 3.92 -2.24 0.34 -4.57 114.28 115.55 1npu n THR 112 Ca -0.14 -1.48 -0.35 0.00 -2.27 0.00 0.00 64.05 59.81 1npu n THR 112 Cb 0.49 -0.84 0.09 0.00 -2.10 0.00 0.00 70.33 67.97 1npu n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1npu n GLU 113 N -2.46 0.16 -2.03 -0.78 4.71 -1.26 0.11 120.64 119.08 1npu n GLU 113 Ca 0.14 0.10 -0.38 0.00 -0.01 0.00 0.00 57.16 57.01 1npu n GLU 113 Cb 0.52 -1.95 0.01 0.00 -1.01 0.00 0.00 31.44 29.01 1npu n GLU 113 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1npu s ARG 114 N -3.20 3.66 0.28 3.49 0.52 -1.26 -3.53 118.95 118.90 1npu s ARG 114 Ca 0.65 2.07 -0.29 0.00 -0.52 0.00 0.00 55.73 57.63 1npu s ARG 114 Cb -0.31 -2.50 -0.10 0.00 0.52 0.00 0.00 34.95 32.56 1npu s ARG 114 CO 0.59 -0.72 1.38 0.42 0.02 0.00 0.00 175.30 176.99 1npu s ILE 115 N -1.36 2.71 -2.60 1.52 1.01 -1.26 -4.94 121.20 116.28 1npu s ILE 115 Ca 0.63 0.64 0.27 0.00 0.00 0.00 0.00 60.65 62.19 1npu s ILE 115 Cb -0.36 -3.41 0.48 0.00 0.01 0.00 0.00 42.46 39.18 1npu s ILE 115 CO 0.44 0.12 1.65 0.18 0.00 0.00 0.00 174.94 177.34