#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g96 n GLY 11 N 0.00 -1.82 0.00 2.92 0.00 -1.26 -5.11 105.19 99.93 1g96 n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g96 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g96 n GLY 12 N -0.03 -1.07 3.60 -0.02 0.00 -1.26 -5.06 105.19 101.35 1g96 n GLY 12 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 1g96 n GLY 12 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1g96 s PRO 13 N -0.93 0.02 -0.02 1.61 0.02 -1.26 -4.94 135.00 129.51 1g96 s PRO 13 Ca 0.00 0.83 -0.01 0.00 0.02 0.00 0.00 61.00 61.84 1g96 s PRO 13 Cb 0.00 -1.66 0.01 0.00 0.02 0.00 0.00 34.50 32.87 1g96 s PRO 13 CO 0.00 -3.09 0.04 -1.64 -0.33 0.00 0.00 177.00 171.98 1g96 s MET 14 N -4.70 0.03 0.63 5.54 -1.94 -0.16 -4.89 119.30 113.82 1g96 s MET 14 Ca 0.66 0.10 -0.17 0.00 -1.71 0.00 0.00 55.69 54.58 1g96 s MET 14 Cb -0.22 -0.05 -0.08 0.00 2.01 0.00 0.00 34.83 36.49 1g96 s MET 14 CO 0.61 -0.05 0.42 -0.25 -0.01 0.00 0.00 175.02 175.73 1g96 n ASP 15 N 3.39 -1.51 -3.71 3.03 8.00 -1.26 -0.54 116.55 123.94 1g96 n ASP 15 Ca -0.17 0.66 -0.14 0.00 0.71 0.00 0.00 54.79 55.85 1g96 n ASP 15 Cb 0.57 -1.14 -0.08 0.00 -0.02 0.00 0.00 41.12 40.44 1g96 n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g96 s ALA 16 N -1.83 -0.99 0.58 2.24 0.00 -0.34 -4.68 121.76 116.74 1g96 s ALA 16 Ca 0.65 0.63 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 1g96 s ALA 16 Cb -0.41 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1g96 s ALA 16 CO 0.58 -0.27 1.04 -1.54 0.00 0.00 0.00 175.76 175.56 1g96 s SER 17 N -1.06 6.02 0.00 0.00 1.04 -1.26 -4.49 113.70 113.95 1g96 s SER 17 Ca -0.11 1.73 0.25 0.00 0.48 0.00 0.00 55.95 58.30 1g96 s SER 17 Cb -0.04 -2.52 1.49 0.00 0.10 0.00 0.00 66.02 65.04 1g96 s SER 17 CO 0.05 -1.00 1.93 1.33 0.98 0.00 0.00 173.24 176.53 1g96 n VAL 18 N -1.96 0.00 -0.06 5.02 0.24 -1.26 -3.13 118.33 117.18 1g96 n VAL 18 Ca 0.08 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.17 1g96 n VAL 18 Cb 0.53 -0.43 -0.13 0.00 -1.47 0.00 0.00 33.84 32.35 1g96 n VAL 18 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1g96 h GLU 19 N 0.00 0.09 -5.32 7.34 4.39 -1.99 -3.38 114.58 115.71 1g96 h GLU 19 Ca 0.00 -0.15 -0.72 0.00 0.34 0.00 0.00 59.36 58.83 1g96 h GLU 19 Cb 0.00 0.06 0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1g96 h GLU 19 CO 0.00 1.07 0.16 -1.91 -1.16 0.00 0.00 179.01 177.17 1g96 n GLU 20 N -4.23 0.00 0.04 2.33 2.13 -1.18 -4.67 120.64 115.05 1g96 n GLU 20 Ca -0.27 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.62 1g96 n GLU 20 Cb 0.75 -1.33 0.49 0.00 0.27 0.00 0.00 31.44 31.62 1g96 n GLU 20 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1g96 h GLU 21 N 2.99 0.38 -0.11 5.31 4.81 -1.90 -2.29 114.58 123.77 1g96 h GLU 21 Ca -0.44 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 1g96 h GLU 21 Cb 1.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1g96 h GLU 21 CO 0.63 0.25 -0.32 0.78 -0.73 0.00 0.00 179.01 179.62 1g96 h GLY 22 N 0.40 0.23 0.54 1.92 0.00 -1.96 0.19 103.07 104.39 1g96 h GLY 22 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1g96 h GLY 22 CO -0.03 0.18 -0.13 -2.08 0.00 0.00 0.00 176.54 174.48 1g96 h VAL 23 N 0.19 0.70 -0.86 4.60 2.07 -1.78 -1.63 116.25 119.54 1g96 h VAL 23 Ca 0.03 -0.78 0.21 0.00 0.82 0.00 0.00 66.70 66.97 1g96 h VAL 23 Cb 0.67 1.07 -0.12 0.00 -1.52 0.00 0.00 31.29 31.39 1g96 h VAL 23 CO 0.05 0.14 0.32 -0.09 0.02 0.00 0.00 177.57 178.02 1g96 h ARG 24 N -0.83 0.33 -0.08 1.57 9.65 -1.10 0.26 114.38 124.19 1g96 h ARG 24 Ca -0.04 -0.02 -0.18 0.00 -1.10 0.00 0.00 59.98 58.65 1g96 h ARG 24 Cb 0.51 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1g96 h ARG 24 CO 0.06 0.22 -0.70 0.00 2.80 0.00 0.00 179.97 182.35 1g96 h ARG 25 N 0.34 0.38 -0.34 0.20 3.08 -0.58 -2.32 114.38 115.14 1g96 h ARG 25 Ca 0.53 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 1g96 h ARG 25 Cb 1.00 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1g96 h ARG 25 CO -0.55 0.93 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 1g96 h ALA 26 N 0.98 0.46 0.27 0.04 0.00 0.14 -0.71 119.26 120.45 1g96 h ALA 26 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1g96 h ALA 26 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1g96 h ALA 26 CO 0.12 0.22 -0.13 1.25 0.00 0.00 0.00 179.25 180.70 1g96 h LEU 27 N 0.41 -0.32 -1.47 0.00 5.85 -0.59 0.12 115.31 119.32 1g96 h LEU 27 Ca 0.10 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1g96 h LEU 27 Cb 0.45 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1g96 h LEU 27 CO 0.02 -0.22 0.39 0.44 -0.34 0.00 0.00 178.44 178.72 1g96 h ASP 28 N -0.37 0.60 0.33 1.25 3.45 -1.33 0.31 116.42 120.66 1g96 h ASP 28 Ca -0.04 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.40 1g96 h ASP 28 Cb 0.28 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 1g96 h ASP 28 CO 0.06 0.42 -0.16 0.15 -1.57 0.00 0.00 179.24 178.14 1g96 h PHE 29 N 0.70 -0.40 -0.14 4.55 3.57 -0.66 0.16 116.94 124.72 1g96 h PHE 29 Ca 0.23 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1g96 h PHE 29 Cb 0.06 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1g96 h PHE 29 CO -0.00 -0.11 -0.12 0.00 -2.23 0.00 0.00 178.31 175.85 1g96 h ALA 30 N -0.10 -0.02 -0.56 2.41 0.00 -0.28 0.19 119.26 120.90 1g96 h ALA 30 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1g96 h ALA 30 Cb 0.48 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1g96 h ALA 30 CO 0.07 -0.57 0.28 0.28 0.00 0.00 0.00 179.25 179.32 1g96 h VAL 31 N -0.14 1.18 -0.46 0.00 2.07 -0.96 0.52 116.25 118.47 1g96 h VAL 31 Ca 0.09 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1g96 h VAL 31 Cb 0.27 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1g96 h VAL 31 CO -0.22 0.21 0.19 1.23 0.02 0.00 0.00 177.57 179.00 1g96 h GLY 32 N 0.87 0.73 1.49 2.17 0.00 0.66 -1.74 103.07 107.24 1g96 h GLY 32 Ca 0.20 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1g96 h GLY 32 CO -0.03 0.37 -0.10 0.83 0.00 0.00 0.00 176.54 177.61 1g96 h GLU 33 N 0.60 0.61 -0.02 4.80 4.39 0.41 -1.12 114.58 124.25 1g96 h GLU 33 Ca 0.15 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1g96 h GLU 33 Cb 0.18 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1g96 h GLU 33 CO -0.01 0.71 0.01 -0.92 -1.16 0.00 0.00 179.01 177.64 1g96 h TYR 34 N 0.57 0.04 -0.49 4.33 3.20 -0.62 -2.02 116.97 121.97 1g96 h TYR 34 Ca 0.10 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1g96 h TYR 34 Cb 0.52 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1g96 h TYR 34 CO 0.02 0.13 0.26 -0.91 -1.64 0.00 0.00 178.16 176.02 1g96 h ASN 35 N -0.07 0.62 -0.79 -2.11 2.35 -1.10 -1.40 115.58 113.08 1g96 h ASN 35 Ca 0.01 -0.10 0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1g96 h ASN 35 Cb 0.10 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 1g96 h ASN 35 CO -0.00 0.54 0.52 0.50 -1.65 0.00 0.00 177.43 177.34 1g96 h LYS 36 N 0.65 0.74 0.00 0.81 3.64 -1.08 -2.49 116.57 118.85 1g96 h LYS 36 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1g96 h LYS 36 Cb 0.06 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1g96 h LYS 36 CO -0.03 0.49 -0.69 0.00 -2.27 0.00 0.00 179.45 176.95 1g96 n ALA 37 N -2.44 3.44 -1.70 5.00 0.00 -0.77 -4.93 120.51 119.11 1g96 n ALA 37 Ca 0.13 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.89 1g96 n ALA 37 Cb 0.29 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.68 1g96 n ALA 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g96 s SER 38 N -3.52 5.89 0.00 0.00 0.15 -0.57 -4.96 113.70 110.69 1g96 s SER 38 Ca 0.08 1.66 0.25 0.00 0.70 0.00 0.00 55.95 58.64 1g96 s SER 38 Cb 0.16 -2.51 0.44 0.00 -1.71 0.00 0.00 66.02 62.40 1g96 s SER 38 CO 0.74 -1.10 1.40 0.59 1.20 0.00 0.00 173.24 176.08 1g96 n ASN 39 N -2.35 2.54 -4.74 5.45 3.02 -1.26 -4.92 115.26 113.00 1g96 n ASN 39 Ca 0.08 -1.84 -0.41 0.00 -0.03 0.00 0.00 54.58 52.37 1g96 n ASN 39 Cb 0.53 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1g96 n ASN 39 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1g96 s ASP 40 N -2.01 7.23 0.37 6.41 -1.08 -1.26 -4.93 116.67 121.40 1g96 s ASP 40 Ca 0.31 2.13 0.25 0.00 -0.52 0.00 0.00 52.55 54.72 1g96 s ASP 40 Cb 0.20 -2.61 0.64 0.00 -1.46 0.00 0.00 42.92 39.69 1g96 s ASP 40 CO 0.31 -0.24 1.71 0.00 0.52 0.00 0.00 175.17 177.47 1g96 h MET 41 N 5.04 0.00 -6.54 4.34 -0.00 -1.99 -3.45 114.93 112.33 1g96 h MET 41 Ca -0.44 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 58.73 1g96 h MET 41 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.79 1g96 h MET 41 CO 0.72 0.00 -0.05 0.71 -0.00 0.00 0.00 176.91 178.29 1g96 s TYR 42 N -3.23 3.43 0.01 -0.10 2.02 -1.26 -5.08 117.35 113.13 1g96 s TYR 42 Ca 0.07 0.92 -0.20 0.00 -0.37 0.00 0.00 57.07 57.50 1g96 s TYR 42 Cb 0.08 -2.31 -0.06 0.00 -0.40 0.00 0.00 41.96 39.27 1g96 s TYR 42 CO 0.62 0.18 0.58 -1.58 -1.57 0.00 0.00 175.55 173.78 1g96 s HIS 43 N -1.95 3.70 0.18 2.71 5.65 -1.26 -5.07 115.29 119.25 1g96 s HIS 43 Ca 0.49 1.20 0.07 0.00 0.25 0.00 0.00 55.06 57.07 1g96 s HIS 43 Cb -0.11 -2.58 -0.04 0.00 -1.18 0.00 0.00 32.58 28.67 1g96 s HIS 43 CO 0.23 0.40 0.03 -1.12 -0.65 0.00 0.00 174.74 173.63 1g96 s SER 44 N -0.37 4.92 0.20 9.88 0.01 -1.26 -5.14 113.70 121.94 1g96 s SER 44 Ca 0.30 -0.36 -0.12 0.00 1.31 0.00 0.00 55.95 57.08 1g96 s SER 44 Cb -0.18 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1g96 s SER 44 CO 0.17 0.07 0.40 0.00 0.41 0.00 0.00 173.24 174.29 1g96 s ARG 45 N -3.08 1.33 0.18 12.44 1.70 -1.26 -4.95 118.95 125.31 1g96 s ARG 45 Ca 0.29 -1.13 -0.31 0.00 -0.47 0.00 0.00 55.73 54.11 1g96 s ARG 45 Cb -0.09 0.44 -0.10 0.00 -0.57 0.00 0.00 34.95 34.63 1g96 s ARG 45 CO 0.20 -0.53 1.57 0.00 -1.08 0.00 0.00 175.30 175.46 1g96 s ALA 46 N -3.96 3.77 -0.20 7.88 0.00 -1.26 -4.87 121.76 123.12 1g96 s ALA 46 Ca 0.17 1.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.36 1g96 s ALA 46 Cb 0.01 -3.62 -0.20 0.00 0.00 0.00 0.00 23.12 19.31 1g96 s ALA 46 CO 0.02 -0.79 0.14 -0.11 0.00 0.00 0.00 175.76 175.02 1g96 n LEU 47 N 3.74 2.13 -3.64 0.00 7.94 -1.26 -4.98 117.00 120.93 1g96 n LEU 47 Ca 0.13 0.33 -0.08 0.00 -1.11 0.00 0.00 56.01 55.27 1g96 n LEU 47 Cb 0.38 -0.98 -0.07 0.00 0.53 0.00 0.00 43.42 43.28 1g96 n LEU 47 CO 0.62 0.50 0.35 -1.58 -1.11 0.00 0.00 177.39 176.17 1g96 s GLN 48 N -2.44 0.72 -0.51 1.96 0.74 -1.26 -5.10 119.66 113.77 1g96 s GLN 48 Ca -0.29 1.18 -0.22 0.00 0.05 0.00 0.00 55.36 56.09 1g96 s GLN 48 Cb 0.08 0.18 0.04 0.00 1.10 0.00 0.00 33.01 34.41 1g96 s GLN 48 CO 0.62 -0.14 0.77 0.08 -0.55 0.00 0.00 175.29 176.06 1g96 s VAL 49 N 1.44 4.66 -0.05 1.34 1.01 -1.26 -4.90 120.40 122.64 1g96 s VAL 49 Ca -0.08 -0.04 0.13 0.00 0.00 0.00 0.00 61.98 61.98 1g96 s VAL 49 Cb -0.05 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1g96 s VAL 49 CO -0.17 -0.90 1.42 -0.37 0.00 0.00 0.00 175.10 175.09 1g96 h VAL 50 N 5.94 1.12 -2.43 2.92 -1.51 -2.05 -3.46 116.25 116.79 1g96 h VAL 50 Ca -0.26 -2.53 -0.08 0.00 -1.23 0.00 0.00 66.70 62.60 1g96 h VAL 50 Cb 1.09 2.51 -0.23 0.00 -2.13 0.00 0.00 31.29 32.53 1g96 h VAL 50 CO 1.00 0.63 -0.10 -0.60 -1.23 0.00 0.00 177.57 177.27 1g96 s ARG 51 N -2.94 0.61 -0.05 5.19 3.52 -1.26 -5.16 118.95 118.86 1g96 s ARG 51 Ca 0.03 0.78 -0.00 0.00 -0.13 0.00 0.00 55.73 56.41 1g96 s ARG 51 Cb 0.09 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.76 1g96 s ARG 51 CO 0.76 -0.09 -0.01 0.00 -0.81 0.00 0.00 175.30 175.16 1g96 s ALA 52 N 0.48 0.57 0.05 6.12 0.00 -1.26 -5.11 121.76 122.61 1g96 s ALA 52 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1g96 s ALA 52 Cb -0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1g96 s ALA 52 CO -0.02 -0.26 -0.07 1.03 0.00 0.00 0.00 175.76 176.45 1g96 s ARG 53 N 1.49 0.54 0.09 0.00 0.52 -1.26 -1.19 118.95 119.13 1g96 s ARG 53 Ca -0.03 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 1g96 s ARG 53 Cb -0.13 -0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.10 1g96 s ARG 53 CO -0.03 0.02 -0.06 -1.59 0.02 0.00 0.00 175.30 173.66 1g96 s LYS 54 N -1.97 0.79 -0.25 3.54 -2.85 0.30 -4.83 119.74 114.47 1g96 s LYS 54 Ca -0.07 -1.29 -0.13 0.00 -1.00 0.00 0.00 55.97 53.47 1g96 s LYS 54 Cb -0.07 -0.15 0.08 0.00 -2.06 0.00 0.00 37.83 35.63 1g96 s LYS 54 CO -0.01 -0.03 0.60 -1.14 0.10 0.00 0.00 175.35 174.87 1g96 s GLN 55 N -3.75 0.60 -0.06 1.78 0.74 -1.26 -0.99 119.66 116.73 1g96 s GLN 55 Ca 0.10 1.11 -0.23 0.00 0.05 0.00 0.00 55.36 56.39 1g96 s GLN 55 Cb 0.05 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.26 1g96 s GLN 55 CO -0.05 -0.16 0.70 0.42 -0.55 0.00 0.00 175.29 175.65 1g96 s ILE 56 N 1.67 5.02 0.13 -2.34 1.01 -1.26 -5.05 121.20 120.39 1g96 s ILE 56 Ca -0.09 1.45 0.07 0.00 0.00 0.00 0.00 60.65 62.08 1g96 s ILE 56 Cb -0.07 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1g96 s ILE 56 CO -0.18 0.27 -0.17 0.68 0.00 0.00 0.00 174.94 175.54 1g96 s VAL 57 N 0.71 1.58 0.03 2.92 -7.23 -1.26 -5.15 120.40 112.00 1g96 s VAL 57 Ca 0.37 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 1g96 s VAL 57 Cb -0.18 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 1g96 s VAL 57 CO 0.18 -0.26 -0.08 0.00 -0.31 0.00 0.00 175.10 174.63 1g96 s ALA 58 N -1.74 0.61 0.29 1.32 0.00 -1.26 -5.15 121.76 115.83 1g96 s ALA 58 Ca 0.09 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 1g96 s ALA 58 Cb -0.07 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.07 1g96 s ALA 58 CO 0.04 0.03 0.55 0.41 0.00 0.00 0.00 175.76 176.80 1g96 n GLY 59 N 1.81 1.45 3.05 0.00 0.00 -1.26 -4.78 105.19 105.46 1g96 n GLY 59 Ca -0.20 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.30 1g96 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g96 s VAL 60 N -2.40 1.23 -0.16 1.61 1.01 0.34 -4.96 120.40 117.06 1g96 s VAL 60 Ca 0.14 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 1g96 s VAL 60 Cb -0.03 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1g96 s VAL 60 CO 0.10 0.37 0.37 0.20 0.00 0.00 0.00 175.10 176.14 1g96 s ASN 61 N 0.56 6.49 -0.20 3.32 0.01 -1.26 -0.36 114.94 123.50 1g96 s ASN 61 Ca -0.13 0.58 -0.08 0.00 -0.71 0.00 0.00 52.86 52.52 1g96 s ASN 61 Cb -0.15 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1g96 s ASN 61 CO 0.04 0.03 0.07 -0.31 -1.51 0.00 0.00 177.10 175.42 1g96 s TYR 62 N 0.75 3.22 -0.41 2.20 1.51 0.11 -4.93 117.35 119.80 1g96 s TYR 62 Ca 0.19 -0.00 -0.03 0.00 -1.01 0.00 0.00 57.07 56.22 1g96 s TYR 62 Cb -0.14 -2.12 0.11 0.00 -0.11 0.00 0.00 41.96 39.70 1g96 s TYR 62 CO 0.07 0.05 0.21 -0.06 -1.11 0.00 0.00 175.55 174.71 1g96 s PHE 63 N 0.67 3.58 -0.16 2.71 0.40 -1.26 -0.86 117.98 123.06 1g96 s PHE 63 Ca 0.04 -2.39 -0.06 0.00 -0.60 0.00 0.00 56.93 53.91 1g96 s PHE 63 Cb -0.13 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.12 1g96 s PHE 63 CO 0.02 -0.97 0.05 -0.51 0.70 0.00 0.00 175.22 174.50 1g96 s LEU 64 N 1.14 3.78 -0.35 -0.37 1.43 0.90 -4.96 118.68 120.25 1g96 s LEU 64 Ca 0.08 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1g96 s LEU 64 Cb -0.23 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.12 1g96 s LEU 64 CO -0.04 0.23 0.11 -1.81 0.23 0.00 0.00 176.35 175.07 1g96 s ASP 65 N 0.01 5.19 0.06 2.29 1.01 -1.26 -0.01 116.67 123.94 1g96 s ASP 65 Ca 0.05 -1.43 0.07 0.00 0.71 0.00 0.00 52.55 51.95 1g96 s ASP 65 Cb -0.12 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 1g96 s ASP 65 CO 0.01 -0.38 -0.19 -0.69 0.21 0.00 0.00 175.17 174.13 1g96 s VAL 66 N 1.29 1.56 -0.22 -1.27 1.01 0.55 -4.98 120.40 118.34 1g96 s VAL 66 Ca -0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 1g96 s VAL 66 Cb -0.21 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1g96 s VAL 66 CO -0.00 0.10 0.06 -0.70 0.00 0.00 0.00 175.10 174.56 1g96 s GLU 67 N -1.33 3.77 0.05 2.72 -6.30 -1.26 0.11 118.70 116.45 1g96 s GLU 67 Ca 0.06 -0.43 0.04 0.00 -2.50 0.00 0.00 54.97 52.14 1g96 s GLU 67 Cb -0.09 -3.25 -0.04 0.00 0.00 0.00 0.00 34.13 30.75 1g96 s GLU 67 CO 0.02 0.01 -0.04 -0.51 0.02 0.00 0.00 175.26 174.76 1g96 s LEU 68 N 1.07 3.29 0.02 2.70 1.43 0.30 -4.93 118.68 122.56 1g96 s LEU 68 Ca 0.04 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1g96 s LEU 68 Cb -0.14 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1g96 s LEU 68 CO 0.03 0.23 -0.13 -0.83 0.23 0.00 0.00 176.35 175.88 1g96 s GLY 69 N -1.87 0.69 -0.05 -3.19 0.00 -1.26 -0.31 107.32 101.33 1g96 s GLY 69 Ca 0.21 -0.69 -0.28 0.00 0.00 0.00 0.00 44.72 43.96 1g96 s GLY 69 CO 0.13 -0.65 0.90 -1.60 0.00 0.00 0.00 173.10 171.88 1g96 s ARG 70 N -0.80 4.48 0.75 2.90 3.52 -0.66 -5.00 118.95 124.14 1g96 s ARG 70 Ca 0.02 1.24 -0.01 0.00 -0.13 0.00 0.00 55.73 56.85 1g96 s ARG 70 Cb -0.07 -3.48 0.14 0.00 -1.56 0.00 0.00 34.95 29.99 1g96 s ARG 70 CO 0.01 -0.10 1.03 0.95 -0.81 0.00 0.00 175.30 176.38 1g96 s THR 71 N 1.25 2.05 -2.13 4.11 -4.23 -1.26 -1.35 115.64 114.08 1g96 s THR 71 Ca 0.46 -0.58 0.26 0.00 -1.18 0.00 0.00 61.69 60.66 1g96 s THR 71 Cb -0.19 -2.47 0.30 0.00 1.34 0.00 0.00 72.50 71.48 1g96 s THR 71 CO 0.22 0.00 1.52 0.35 -0.54 0.00 0.00 174.62 176.17 1g96 n THR 72 N -2.93 0.00 -3.36 3.99 -2.24 0.46 -4.43 114.28 105.77 1g96 n THR 72 Ca 0.16 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.34 1g96 n THR 72 Cb 0.61 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1g96 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g96 s THR 74 N -0.53 3.14 -1.40 0.00 -4.23 -1.26 -4.89 115.64 106.47 1g96 s THR 74 Ca 0.26 0.37 0.20 0.00 -1.18 0.00 0.00 61.69 61.34 1g96 s THR 74 Cb -0.17 -3.19 0.34 0.00 1.34 0.00 0.00 72.50 70.81 1g96 s THR 74 CO 0.14 -0.48 1.63 0.29 -0.54 0.00 0.00 174.62 175.66 1g96 n LYS 75 N -3.32 0.27 -0.48 3.99 5.02 -1.26 -2.89 118.16 119.49 1g96 n LYS 75 Ca 0.07 0.10 0.08 0.00 -2.02 0.00 0.00 58.31 56.54 1g96 n LYS 75 Cb 0.57 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.37 1g96 n LYS 75 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1g96 n THR 76 N -1.30 1.39 -4.59 -0.18 -2.24 -1.26 -4.93 114.28 101.17 1g96 n THR 76 Ca 0.09 -0.95 -0.27 0.00 -2.27 0.00 0.00 64.05 60.65 1g96 n THR 76 Cb 0.16 0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 1g96 n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g96 s GLN 77 N -1.67 1.92 0.34 -0.78 -2.07 -1.14 -5.16 119.66 111.10 1g96 s GLN 77 Ca 0.43 -2.13 -0.02 0.00 -1.82 0.00 0.00 55.36 51.82 1g96 s GLN 77 Cb 0.27 -1.24 -0.04 0.00 -1.09 0.00 0.00 33.01 30.90 1g96 s GLN 77 CO 0.22 -0.22 0.57 -1.25 -1.32 0.00 0.00 175.29 173.29 1g96 s PRO 78 N -3.80 3.53 -0.50 9.60 0.04 -1.26 -4.62 135.00 138.00 1g96 s PRO 78 Ca 0.27 -0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.10 1g96 s PRO 78 Cb 0.07 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1g96 s PRO 78 CO 0.13 0.13 0.43 0.09 0.04 0.00 0.00 177.00 177.83 1g96 n ASN 79 N -1.57 -3.50 0.18 6.66 3.02 -1.26 -4.95 115.26 113.83 1g96 n ASN 79 Ca -0.03 -0.20 0.03 0.00 -0.03 0.00 0.00 54.58 54.34 1g96 n ASN 79 Cb 0.55 -2.17 0.31 0.00 -0.61 0.00 0.00 39.78 37.87 1g96 n ASN 79 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1g96 h LEU 80 N -0.98 0.00 -1.08 3.41 3.38 -1.96 -2.83 115.31 115.25 1g96 h LEU 80 Ca -0.21 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.94 1g96 h LEU 80 Cb 1.14 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 1g96 h LEU 80 CO 0.20 0.44 0.61 0.44 0.09 0.00 0.00 178.44 180.23 1g96 h ASP 81 N 0.00 0.76 0.00 -0.43 5.19 -1.99 -2.51 116.42 117.45 1g96 h ASP 81 Ca -0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1g96 h ASP 81 Cb 0.85 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.30 1g96 h ASP 81 CO 0.06 0.30 -0.00 -0.46 -3.12 0.00 0.00 179.24 176.02 1g96 n ASN 82 N -4.70 2.14 -4.77 6.45 2.04 -1.24 -5.06 115.26 110.12 1g96 n ASN 82 Ca 0.22 -2.45 -0.41 0.00 -0.44 0.00 0.00 54.58 51.50 1g96 n ASN 82 Cb 0.55 -0.18 -0.01 0.00 -2.53 0.00 0.00 39.78 37.61 1g96 n ASN 82 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1g96 s PRO 84 N -1.94 4.22 0.49 0.00 0.02 -1.26 -4.80 135.00 131.72 1g96 s PRO 84 Ca 0.51 2.40 -0.21 0.00 0.02 0.00 0.00 61.00 63.72 1g96 s PRO 84 Cb -0.43 -3.06 -0.08 0.00 0.02 0.00 0.00 34.50 30.96 1g96 s PRO 84 CO 0.58 -0.46 1.09 -0.06 -0.33 0.00 0.00 177.00 177.82 1g96 s PHE 85 N -0.36 2.92 0.56 6.54 0.40 -1.26 -0.41 117.98 126.37 1g96 s PHE 85 Ca 0.58 1.57 -0.19 0.00 -0.60 0.00 0.00 56.93 58.28 1g96 s PHE 85 Cb -0.44 -3.19 -0.05 0.00 0.51 0.00 0.00 43.02 39.85 1g96 s PHE 85 CO 0.49 -1.12 1.17 -1.01 0.70 0.00 0.00 175.22 175.45 1g96 s HIS 86 N -1.80 2.55 0.00 0.36 3.76 -0.45 -4.66 115.29 115.04 1g96 s HIS 86 Ca 0.67 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 57.11 1g96 s HIS 86 Cb -0.21 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.09 1g96 s HIS 86 CO 0.25 -1.88 0.04 -0.40 -0.85 0.00 0.00 174.74 171.90 1g96 n ASP 87 N -1.36 0.08 -4.78 1.40 5.75 -1.26 -4.63 116.55 111.75 1g96 n ASP 87 Ca 0.12 -0.39 -0.32 0.00 -0.01 0.00 0.00 54.79 54.20 1g96 n ASP 87 Cb 0.50 0.18 0.06 0.00 -1.03 0.00 0.00 41.12 40.83 1g96 n ASP 87 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1g96 s GLN 88 N -0.18 2.64 0.19 0.11 -1.52 -1.26 -4.81 119.66 114.84 1g96 s GLN 88 Ca 0.00 1.24 -0.22 0.00 -1.95 0.00 0.00 55.36 54.43 1g96 s GLN 88 Cb 0.00 -1.94 0.12 0.00 -0.22 0.00 0.00 33.01 30.97 1g96 s GLN 88 CO 0.00 -1.35 1.57 -1.35 -0.25 0.00 0.00 175.29 173.91 1g96 h PRO 89 N -0.47 -0.13 -0.02 2.91 0.11 -1.99 -2.13 132.00 130.28 1g96 h PRO 89 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1g96 h PRO 89 Cb 1.23 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1g96 h PRO 89 CO 0.54 -0.09 -0.09 0.72 -0.21 0.00 0.00 178.00 178.87 1g96 n HIS 90 N -5.43 0.00 -0.02 0.65 8.25 -1.26 -4.36 115.22 113.05 1g96 n HIS 90 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 1g96 n HIS 90 Cb 0.36 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.33 1g96 n HIS 90 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1g96 n LEU 91 N 0.66 1.14 -4.72 2.41 4.77 -1.16 -4.87 117.00 115.23 1g96 n LEU 91 Ca 0.09 0.39 -0.42 0.00 -0.03 0.00 0.00 56.01 56.04 1g96 n LEU 91 Cb 0.40 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1g96 n LEU 91 CO 0.13 0.46 0.90 -1.59 -1.33 0.00 0.00 177.39 175.96 1g96 s LYS 92 N -2.59 4.44 0.00 3.23 -2.85 -0.81 -4.88 119.74 116.27 1g96 s LYS 92 Ca -0.07 1.82 -0.07 0.00 -1.00 0.00 0.00 55.97 56.65 1g96 s LYS 92 Cb 0.08 -3.31 0.00 0.00 -2.06 0.00 0.00 37.83 32.53 1g96 s LYS 92 CO 0.82 -0.23 0.12 1.03 0.10 0.00 0.00 175.35 177.19 1g96 s ARG 93 N 0.77 0.45 0.02 1.78 0.52 -1.26 -5.02 118.95 116.21 1g96 s ARG 93 Ca 0.58 -0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 55.38 1g96 s ARG 93 Cb -0.31 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 1g96 s ARG 93 CO 0.31 -0.10 0.05 0.21 0.02 0.00 0.00 175.30 175.78 1g96 s LYS 94 N -1.29 0.42 -0.13 3.54 2.20 -1.26 -1.66 119.74 121.56 1g96 s LYS 94 Ca -0.14 -0.58 -0.12 0.00 -0.36 0.00 0.00 55.97 54.77 1g96 s LYS 94 Cb -0.07 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.44 1g96 s LYS 94 CO 0.01 -0.09 0.35 0.00 -0.36 0.00 0.00 175.35 175.26 1g96 s ALA 95 N -1.70 -0.86 -0.16 3.13 0.00 0.58 -2.71 121.76 120.03 1g96 s ALA 95 Ca -0.13 0.98 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1g96 s ALA 95 Cb -0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1g96 s ALA 95 CO -0.01 -0.17 0.37 0.12 0.00 0.00 0.00 175.76 176.07 1g96 s PHE 96 N 0.18 3.45 0.12 0.00 5.36 -0.78 0.11 117.98 126.42 1g96 s PHE 96 Ca -0.00 0.67 0.05 0.00 -0.96 0.00 0.00 56.93 56.69 1g96 s PHE 96 Cb -0.02 -2.45 -0.04 0.00 -0.34 0.00 0.00 43.02 40.17 1g96 s PHE 96 CO 0.00 0.15 -0.12 0.00 -1.46 0.00 0.00 175.22 173.79 1g96 s SER 98 N -2.57 2.99 -0.06 0.00 0.01 -0.02 -0.33 113.70 113.72 1g96 s SER 98 Ca 0.09 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.69 1g96 s SER 98 Cb -0.03 -1.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.06 1g96 s SER 98 CO 0.02 -0.13 -0.14 -0.36 0.41 0.00 0.00 173.24 173.04 1g96 s PHE 99 N 1.50 2.73 -0.19 2.43 0.08 0.98 -2.67 117.98 122.84 1g96 s PHE 99 Ca 0.01 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1g96 s PHE 99 Cb -0.15 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1g96 s PHE 99 CO -0.09 0.14 -0.15 -1.14 -0.10 0.00 0.00 175.22 173.89 1g96 s GLN 100 N -0.58 2.46 -0.17 0.44 0.74 -0.72 -0.07 119.66 121.77 1g96 s GLN 100 Ca 0.08 -0.87 -0.02 0.00 0.05 0.00 0.00 55.36 54.60 1g96 s GLN 100 Cb -0.11 -2.50 -0.02 0.00 1.10 0.00 0.00 33.01 31.48 1g96 s GLN 100 CO 0.01 -0.34 -0.08 0.42 -0.55 0.00 0.00 175.29 174.75 1g96 s ILE 101 N 1.32 3.35 -0.38 -2.34 1.09 -0.04 -0.32 121.20 123.88 1g96 s ILE 101 Ca 0.01 -0.53 -0.15 0.00 -1.10 0.00 0.00 60.65 58.88 1g96 s ILE 101 Cb -0.15 -2.46 0.01 0.00 -1.06 0.00 0.00 42.46 38.79 1g96 s ILE 101 CO -0.10 0.49 0.30 -0.47 -0.10 0.00 0.00 174.94 175.06 1g96 s TYR 102 N 0.71 3.23 -0.08 3.97 5.04 0.13 0.07 117.35 130.42 1g96 s TYR 102 Ca -0.04 -0.39 -0.02 0.00 -2.44 0.00 0.00 57.07 54.18 1g96 s TYR 102 Cb -0.15 -2.60 -0.03 0.00 0.35 0.00 0.00 41.96 39.53 1g96 s TYR 102 CO 0.02 -0.52 0.00 0.00 -1.34 0.00 0.00 175.55 173.71 1g96 s ALA 103 N 1.78 3.28 -0.64 3.97 0.00 0.52 -0.77 121.76 129.89 1g96 s ALA 103 Ca 0.07 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1g96 s ALA 103 Cb -0.18 -1.47 0.16 0.00 0.00 0.00 0.00 23.12 21.63 1g96 s ALA 103 CO 0.11 0.59 0.41 0.08 0.00 0.00 0.00 175.76 176.95 1g96 s VAL 104 N -0.89 2.73 0.04 0.00 1.01 -0.90 -0.51 120.40 121.89 1g96 s VAL 104 Ca 0.13 -3.93 -0.07 0.00 0.00 0.00 0.00 61.98 58.12 1g96 s VAL 104 Cb -0.11 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1g96 s VAL 104 CO 0.02 -0.94 0.70 -2.65 0.00 0.00 0.00 175.10 172.23 1g96 n PRO 105 N 2.37 -0.10 0.26 2.72 -0.02 -1.26 -1.13 135.00 137.83 1g96 n PRO 105 Ca 0.15 0.69 0.18 0.00 -2.02 0.00 0.00 63.50 62.50 1g96 n PRO 105 Cb 0.34 -1.03 0.86 0.00 -0.02 0.00 0.00 33.50 33.65 1g96 n PRO 105 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1g96 h TRP 106 N 0.00 0.00 -0.00 6.00 5.08 -1.95 -0.36 115.95 124.71 1g96 h TRP 106 Ca 0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.01 1g96 h TRP 106 Cb 0.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 1g96 h TRP 106 CO -0.56 0.00 -0.83 0.94 -1.28 0.00 0.00 178.44 176.71 1g96 n GLN 107 N -3.29 0.21 -1.46 0.12 7.27 -0.28 -4.97 117.38 114.97 1g96 n GLN 107 Ca 0.01 -0.17 -0.14 0.00 0.07 0.00 0.00 57.00 56.76 1g96 n GLN 107 Cb 0.38 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.47 1g96 n GLN 107 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1g96 n GLY 108 N 1.48 1.39 3.94 1.69 0.00 -0.15 -5.00 105.19 108.55 1g96 n GLY 108 Ca 0.05 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1g96 n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g96 s THR 109 N -2.54 5.32 -0.01 2.61 -4.23 -1.23 -5.00 115.64 110.56 1g96 s THR 109 Ca 0.00 -0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1g96 s THR 109 Cb 0.00 -3.73 -0.00 0.00 1.34 0.00 0.00 72.50 70.11 1g96 s THR 109 CO 0.00 -0.07 0.06 -0.04 -0.54 0.00 0.00 174.62 174.03 1g96 s MET 110 N -3.14 0.20 -0.02 3.99 -1.94 -1.26 -2.11 119.30 115.02 1g96 s MET 110 Ca 0.35 -0.15 0.02 0.00 -1.71 0.00 0.00 55.69 54.20 1g96 s MET 110 Cb -0.11 0.08 0.00 0.00 2.01 0.00 0.00 34.83 36.81 1g96 s MET 110 CO 0.28 -0.04 -0.05 0.99 -0.01 0.00 0.00 175.02 176.20 1g96 s THR 111 N -0.53 0.46 -0.69 2.05 2.01 0.05 -4.94 115.64 114.04 1g96 s THR 111 Ca -0.06 -0.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 1g96 s THR 111 Cb -0.04 -0.42 0.07 0.00 0.01 0.00 0.00 72.50 72.11 1g96 s THR 111 CO 0.00 0.16 1.04 -0.22 -0.69 0.00 0.00 174.62 174.90 1g96 s LEU 112 N 0.20 4.18 -0.01 4.42 2.96 -1.26 0.22 118.68 129.39 1g96 s LEU 112 Ca -0.02 -0.95 -0.22 0.00 -0.22 0.00 0.00 54.13 52.72 1g96 s LEU 112 Cb -0.06 -2.45 -0.22 0.00 0.50 0.00 0.00 46.19 43.97 1g96 s LEU 112 CO -0.00 -1.50 1.12 0.28 -1.32 0.00 0.00 176.35 174.93 1g96 h SER 113 N 9.62 0.38 -4.89 3.68 0.02 -1.03 -3.47 113.55 117.86 1g96 h SER 113 Ca -0.26 -0.71 -0.22 0.00 -0.84 0.00 0.00 61.79 59.77 1g96 h SER 113 Cb 1.06 -0.11 -0.21 0.00 0.14 0.00 0.00 62.40 63.28 1g96 h SER 113 CO 1.20 1.04 -0.71 -0.54 -1.14 0.00 0.00 176.83 176.68 1g96 s LYS 114 N -3.38 0.41 -0.30 3.45 -0.14 -1.16 -4.99 119.74 113.63 1g96 s LYS 114 Ca -0.14 -0.69 -0.06 0.00 -1.36 0.00 0.00 55.97 53.71 1g96 s LYS 114 Cb 0.03 -0.07 0.17 0.00 -1.68 0.00 0.00 37.83 36.28 1g96 s LYS 114 CO 0.78 -0.01 0.71 0.45 -0.76 0.00 0.00 175.35 176.52 1g96 s SER 115 N -1.55 -1.13 0.04 2.83 0.15 -1.26 -1.75 113.70 111.03 1g96 s SER 115 Ca -0.13 1.00 0.01 0.00 0.70 0.00 0.00 55.95 57.54 1g96 s SER 115 Cb -0.10 2.06 -0.02 0.00 -1.71 0.00 0.00 66.02 66.25 1g96 s SER 115 CO -0.01 -0.21 -0.06 0.42 1.20 0.00 0.00 173.24 174.58 1g96 s THR 116 N 2.84 0.39 -0.08 6.45 -4.23 -1.09 -5.01 115.64 114.91 1g96 s THR 116 Ca 0.08 -1.10 -0.07 0.00 -1.18 0.00 0.00 61.69 59.42 1g96 s THR 116 Cb -0.13 -0.58 0.03 0.00 1.34 0.00 0.00 72.50 73.15 1g96 s THR 116 CO -0.19 -0.48 0.22 0.00 -0.54 0.00 0.00 174.62 173.63 1g96 s GLN 118 N 0.32 3.08 -0.22 0.00 -2.07 -0.14 -4.96 119.66 115.66 1g96 s GLN 118 Ca -0.02 -0.82 -0.29 0.00 -1.82 0.00 0.00 55.36 52.41 1g96 s GLN 118 Cb -0.03 -2.49 -0.03 0.00 -1.09 0.00 0.00 33.01 29.36 1g96 s GLN 118 CO -0.01 -0.01 1.75 -0.51 -1.32 0.00 0.00 175.29 175.19 1g96 s ASP 119 N 0.82 6.19 0.00 12.60 1.01 -1.26 -1.86 116.67 134.17 1g96 s ASP 119 Ca -0.06 1.68 0.22 0.00 0.71 0.00 0.00 52.55 55.09 1g96 s ASP 119 Cb -0.15 -2.53 0.17 0.00 1.01 0.00 0.00 42.92 41.42 1g96 s ASP 119 CO -0.01 -1.40 1.19 0.00 0.21 0.00 0.00 175.17 175.16