#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a90 n ALA 10 N 0.00 0.20 -1.97 4.61 0.00 -1.26 -4.98 120.51 117.12 1a90 n ALA 10 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 1a90 n ALA 10 Cb 0.00 -2.22 0.03 0.00 0.00 0.00 0.00 19.45 17.26 1a90 n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a90 s PRO 11 N -3.62 3.08 -0.56 0.00 0.04 -1.26 -4.65 135.00 128.03 1a90 s PRO 11 Ca 0.76 0.38 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1a90 s PRO 11 Cb -0.34 -2.13 0.15 0.00 0.04 0.00 0.00 34.50 32.22 1a90 s PRO 11 CO 0.48 -0.78 0.41 0.08 0.04 0.00 0.00 177.00 177.23 1a90 s VAL 12 N -3.17 4.09 0.52 -0.36 1.01 -1.23 -4.94 120.40 116.32 1a90 s VAL 12 Ca 0.55 -2.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 1a90 s VAL 12 Cb -0.11 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 1a90 s VAL 12 CO 0.50 -0.83 1.18 -2.16 0.00 0.00 0.00 175.10 173.79 1a90 s PRO 13 N 0.68 3.42 0.35 2.72 0.04 -1.26 -1.47 135.00 139.47 1a90 s PRO 13 Ca 0.12 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.01 1a90 s PRO 13 Cb -0.21 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1a90 s PRO 13 CO -0.03 -0.83 0.30 0.08 0.04 0.00 0.00 177.00 176.55 1a90 s VAL 14 N -1.60 3.38 0.18 -0.36 1.01 -1.24 -4.89 120.40 116.88 1a90 s VAL 14 Ca 0.70 -1.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1a90 s VAL 14 Cb -0.29 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.00 1a90 s VAL 14 CO 0.33 -0.15 0.86 -1.81 0.00 0.00 0.00 175.10 174.33 1a90 s ASP 15 N -4.01 -0.24 -0.16 3.32 1.11 -1.26 -4.90 116.67 110.53 1a90 s ASP 15 Ca 0.42 -0.41 -0.01 0.00 0.18 0.00 0.00 52.55 52.73 1a90 s ASP 15 Cb -0.05 0.56 -0.01 0.00 1.07 0.00 0.00 42.92 44.49 1a90 s ASP 15 CO 0.27 -1.02 0.14 1.21 1.18 0.00 0.00 175.17 176.94 1a90 n GLU 16 N -0.44 -0.31 0.00 8.23 2.13 -1.26 -3.84 120.64 125.14 1a90 n GLU 16 Ca -0.06 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1a90 n GLU 16 Cb 0.61 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 30.06 1a90 n GLU 16 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a90 n ASN 17 N -1.47 0.00 -3.51 4.31 5.15 -1.26 -4.53 115.26 113.95 1a90 n ASN 17 Ca -0.01 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 1a90 n ASN 17 Cb 0.51 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.78 1a90 n ASN 17 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1a90 n ASP 18 N 0.00 -5.65 0.00 1.20 9.92 -1.25 -4.80 116.55 115.97 1a90 n ASP 18 Ca 0.00 -0.35 -0.17 0.00 -0.53 0.00 0.00 54.79 53.74 1a90 n ASP 18 Cb 0.00 -2.21 -0.13 0.00 -0.64 0.00 0.00 41.12 38.14 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1a90 h GLU 19 N 1.24 0.22 -0.07 -1.24 4.11 -1.87 -2.18 114.58 114.79 1a90 h GLU 19 Ca -0.51 -0.32 -0.00 0.00 0.07 0.00 0.00 59.36 58.60 1a90 h GLU 19 Cb 1.35 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1a90 h GLU 19 CO 0.27 1.10 0.04 0.78 0.07 0.00 0.00 179.01 181.27 1a90 h GLY 20 N -0.50 0.10 2.00 1.06 0.00 -1.98 -0.38 103.07 103.38 1a90 h GLY 20 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1a90 h GLY 20 CO 0.09 0.04 0.00 1.04 0.00 0.00 0.00 176.54 177.72 1a90 n LEU 21 N -5.00 0.65 -0.01 3.11 4.77 -1.25 -2.17 117.00 117.10 1a90 n LEU 21 Ca -0.06 0.70 -0.16 0.00 -0.03 0.00 0.00 56.01 56.46 1a90 n LEU 21 Cb 0.07 -0.66 -0.11 0.00 -2.33 0.00 0.00 43.42 40.39 1a90 n LEU 21 CO 0.34 -0.70 0.34 1.56 -1.33 0.00 0.00 177.39 177.60 1a90 h GLN 22 N 0.00 0.30 0.00 3.23 4.20 -0.40 -0.93 115.11 121.51 1a90 h GLN 22 Ca 0.00 -0.31 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 1a90 h GLN 22 Cb 0.25 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1a90 h GLN 22 CO 0.00 1.00 -0.39 -0.09 -0.67 0.00 0.00 178.83 178.68 1a90 h ARG 23 N -0.27 0.00 -0.02 1.46 2.43 -1.09 -1.27 114.38 115.61 1a90 h ARG 23 Ca -0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1a90 h ARG 23 Cb 1.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1a90 h ARG 23 CO 0.08 0.39 -0.04 0.00 -1.51 0.00 0.00 179.97 178.90 1a90 h ALA 24 N 1.61 0.04 -0.35 2.80 0.00 -1.39 -2.31 119.26 119.65 1a90 h ALA 24 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1a90 h ALA 24 Cb 0.74 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1a90 h ALA 24 CO 0.05 -0.16 -0.09 1.25 0.00 0.00 0.00 179.25 180.30 1a90 h LEU 25 N -0.45 0.57 -1.35 0.00 6.46 -1.06 -1.48 115.31 117.99 1a90 h LEU 25 Ca 0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1a90 h LEU 25 Cb 0.58 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1a90 h LEU 25 CO 0.01 0.70 0.00 -0.61 -0.62 0.00 0.00 178.44 177.92 1a90 h GLN 26 N 0.55 0.00 0.06 1.25 4.15 -1.20 0.22 115.11 120.14 1a90 h GLN 26 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1a90 h GLN 26 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1a90 h GLN 26 CO 0.03 0.00 -0.03 0.35 -1.93 0.00 0.00 178.83 177.25 1a90 h PHE 27 N 0.00 -0.08 -0.13 3.99 3.04 -0.69 -2.18 116.94 120.90 1a90 h PHE 27 Ca 0.00 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.82 1a90 h PHE 27 Cb 0.52 0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1a90 h PHE 27 CO 0.00 0.17 -0.40 0.00 -2.02 0.00 0.00 178.31 176.06 1a90 h ALA 28 N -0.77 0.22 -0.91 2.41 0.00 -1.50 -2.67 119.26 116.04 1a90 h ALA 28 Ca -0.01 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1a90 h ALA 28 Cb 0.28 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1a90 h ALA 28 CO 0.01 0.33 0.60 0.97 0.00 0.00 0.00 179.25 181.16 1a90 h ILE 29 N 0.10 1.18 -0.50 0.00 6.09 -0.32 0.39 117.51 124.45 1a90 h ILE 29 Ca -0.01 -0.40 0.04 0.00 -1.37 0.00 0.00 64.86 63.12 1a90 h ILE 29 Cb 1.03 -0.09 -0.03 0.00 0.47 0.00 0.00 36.82 38.20 1a90 h ILE 29 CO 0.09 0.21 0.33 0.00 -3.07 0.00 0.00 178.15 175.71 1a90 h ALA 30 N 1.46 1.81 0.00 0.18 0.00 -1.27 0.21 119.26 121.64 1a90 h ALA 30 Ca 0.35 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1a90 h ALA 30 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1a90 h ALA 30 CO -0.10 0.13 -0.30 0.93 0.00 0.00 0.00 179.25 179.91 1a90 h GLU 31 N 0.52 0.00 -0.11 0.00 4.39 0.04 -2.40 114.58 117.02 1a90 h GLU 31 Ca 0.20 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 1a90 h GLU 31 Cb 0.16 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1a90 h GLU 31 CO -0.05 0.30 -0.17 -0.92 -1.16 0.00 0.00 179.01 177.00 1a90 h TYR 32 N 0.00 0.39 -0.08 4.33 5.03 0.13 0.15 116.97 126.91 1a90 h TYR 32 Ca -0.00 -0.13 -0.00 0.00 2.58 0.00 0.00 58.73 61.17 1a90 h TYR 32 Cb 1.04 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.24 1a90 h TYR 32 CO 0.00 0.78 0.04 -0.97 -1.32 0.00 0.00 178.16 176.68 1a90 h ASN 33 N -0.11 0.11 0.75 -2.11 -0.73 -1.37 -1.67 115.58 110.46 1a90 h ASN 33 Ca 0.01 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.03 1a90 h ASN 33 Cb 0.74 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.30 1a90 h ASN 33 CO 0.04 0.23 0.00 0.08 -0.37 0.00 0.00 177.43 177.41 1a90 h ARG 34 N -0.01 0.00 0.00 6.67 -0.00 -1.45 -1.40 114.38 118.20 1a90 h ARG 34 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.01 1a90 h ARG 34 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 1a90 h ARG 34 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 179.97 1a90 h ALA 35 N 2.00 1.00 0.00 0.08 0.00 0.23 -3.14 119.26 119.43 1a90 h ALA 35 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1a90 h ALA 35 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1a90 h ALA 35 CO 0.00 0.00 -1.31 0.66 0.00 0.00 0.00 179.25 178.60 1a90 h SER 36 N 0.00 0.00 -0.44 0.00 4.64 -0.66 -3.50 113.55 113.58 1a90 h SER 36 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a90 h SER 36 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1a90 h SER 36 CO 0.00 0.89 0.00 0.59 -0.87 0.00 0.00 176.83 177.44 1a90 n ASN 37 N -3.14 -0.41 0.00 4.97 5.03 -1.19 -3.44 115.26 117.08 1a90 n ASN 37 Ca -0.08 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.43 1a90 n ASN 37 Cb 0.95 0.00 0.33 0.00 -1.02 0.00 0.00 39.78 40.04 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1a90 n ASP 38 N -0.25 0.00 0.10 6.41 2.03 -1.26 -3.42 116.55 120.16 1a90 n ASP 38 Ca 0.00 0.15 -0.14 0.00 0.52 0.00 0.00 54.79 55.32 1a90 n ASP 38 Cb 0.00 -0.32 -0.07 0.00 -0.72 0.00 0.00 41.12 40.02 1a90 n ASP 38 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1a90 h LYS 39 N 0.00 -0.58 0.00 -0.67 1.57 -1.89 -3.41 116.57 111.59 1a90 h LYS 39 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1a90 h LYS 39 Cb 0.14 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1a90 h LYS 39 CO 0.00 -0.39 0.00 2.48 -0.57 0.00 0.00 179.45 180.97 1a90 n TYR 40 N -5.45 0.00 -4.73 -1.35 0.18 -1.22 -2.79 117.16 101.80 1a90 n TYR 40 Ca -0.07 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.47 1a90 n TYR 40 Cb 0.36 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.17 1a90 n TYR 40 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1a90 s SER 41 N 2.00 1.88 -0.20 9.48 0.01 -1.04 -4.51 113.70 121.33 1a90 s SER 41 Ca 0.00 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.88 1a90 s SER 41 Cb 0.00 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 1a90 s SER 41 CO 0.00 0.16 0.08 -0.44 0.41 0.00 0.00 173.24 173.45 1a90 s SER 42 N -0.11 5.73 0.01 2.44 0.01 -1.26 -0.23 113.70 120.28 1a90 s SER 42 Ca 0.01 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.36 1a90 s SER 42 Cb -0.09 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.14 1a90 s SER 42 CO 0.01 0.15 -0.04 -0.13 0.41 0.00 0.00 173.24 173.64 1a90 s ARG 43 N 0.53 0.30 0.83 12.44 3.00 -0.97 -3.83 118.95 131.25 1a90 s ARG 43 Ca 0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 55.73 55.39 1a90 s ARG 43 Cb -0.13 -0.19 0.14 0.00 0.00 0.00 0.00 34.95 34.78 1a90 s ARG 43 CO 0.01 0.04 0.32 1.55 0.00 0.00 0.00 175.30 177.23 1a90 n VAL 44 N 2.53 0.00 0.00 3.52 3.14 -1.26 0.12 118.33 126.38 1a90 n VAL 44 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1a90 n VAL 44 Cb 0.58 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 1a90 n VAL 44 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1a90 n VAL 45 N -4.02 0.00 -3.73 1.55 0.31 -1.26 -3.75 118.33 107.43 1a90 n VAL 45 Ca 0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.09 1a90 n VAL 45 Cb 0.22 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.02 1a90 n VAL 45 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1a90 s ARG 46 N -0.42 1.10 1.03 5.55 0.52 -1.26 -5.02 118.95 120.44 1a90 s ARG 46 Ca 0.00 -1.69 -0.23 0.00 -0.52 0.00 0.00 55.73 53.29 1a90 s ARG 46 Cb 0.00 -2.24 -0.10 0.00 0.52 0.00 0.00 34.95 33.13 1a90 s ARG 46 CO 0.00 -1.10 -0.91 0.28 0.02 0.00 0.00 175.30 173.60 1a90 n VAL 47 N 4.00 0.00 0.05 3.52 0.31 -1.26 -3.71 118.33 121.23 1a90 n VAL 47 Ca 0.05 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1a90 n VAL 47 Cb 0.37 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1a90 n VAL 47 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1a90 n ILE 48 N -3.60 0.00 -3.71 2.52 5.41 -0.12 -4.84 119.36 115.01 1a90 n ILE 48 Ca -0.01 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 1a90 n ILE 48 Cb 0.68 -0.44 -0.15 0.00 -0.71 0.00 0.00 39.64 39.02 1a90 n ILE 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1a90 s SER 49 N -4.62 3.96 -0.32 4.38 0.01 -1.22 -4.94 113.70 110.95 1a90 s SER 49 Ca 0.00 -1.70 0.01 0.00 1.31 0.00 0.00 55.95 55.57 1a90 s SER 49 Cb 0.00 -0.84 0.08 0.00 0.21 0.00 0.00 66.02 65.47 1a90 s SER 49 CO 0.00 -0.40 0.02 0.00 0.41 0.00 0.00 173.24 173.27 1a90 s ALA 50 N 1.54 2.84 0.17 1.44 0.00 -1.25 -1.12 121.76 125.38 1a90 s ALA 50 Ca 0.11 -2.17 -0.04 0.00 0.00 0.00 0.00 51.96 49.86 1a90 s ALA 50 Cb -0.18 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1a90 s ALA 50 CO -0.23 -1.49 0.18 0.15 0.00 0.00 0.00 175.76 174.37 1a90 s LYS 51 N 1.07 1.13 -0.55 0.00 1.02 -0.43 -3.74 119.74 118.24 1a90 s LYS 51 Ca 0.02 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 54.63 1a90 s LYS 51 Cb -0.20 0.31 0.15 0.00 -0.52 0.00 0.00 37.83 37.57 1a90 s LYS 51 CO -0.05 -0.38 0.36 -0.98 -0.92 0.00 0.00 175.35 173.38 1a90 s ARG 52 N -4.06 1.79 0.54 1.68 1.70 -0.54 -1.10 118.95 118.96 1a90 s ARG 52 Ca 0.27 -2.66 -0.18 0.00 -0.47 0.00 0.00 55.73 52.69 1a90 s ARG 52 Cb 0.05 -2.75 -0.11 0.00 -0.57 0.00 0.00 34.95 31.58 1a90 s ARG 52 CO 0.05 -1.25 0.34 1.04 -1.08 0.00 0.00 175.30 174.41 1a90 n GLN 53 N 2.72 0.37 -3.89 3.89 6.02 0.46 -3.58 117.38 123.36 1a90 n GLN 53 Ca 0.16 0.14 -0.32 0.00 -0.01 0.00 0.00 57.00 56.98 1a90 n GLN 53 Cb 0.37 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 30.01 1a90 n GLN 53 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1a90 s LEU 54 N 2.01 4.60 0.00 1.08 2.96 -1.26 -1.57 118.68 126.50 1a90 s LEU 54 Ca 0.65 -2.92 0.00 0.00 -0.22 0.00 0.00 54.13 51.64 1a90 s LEU 54 Cb -0.47 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.52 1a90 s LEU 54 CO 0.58 -0.28 0.00 0.55 -1.32 0.00 0.00 176.35 175.88 1a90 n VAL 55 N 3.28 0.00 -0.59 1.68 3.14 -1.26 -4.91 118.33 119.67 1a90 n VAL 55 Ca 0.06 0.00 0.48 0.00 -2.96 0.00 0.00 64.34 61.91 1a90 n VAL 55 Cb 0.34 0.00 0.78 0.00 -1.06 0.00 0.00 33.84 33.90 1a90 n VAL 55 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1a90 h SER 56 N 0.00 0.00 -5.47 6.55 4.64 -2.02 -3.40 113.55 113.85 1a90 h SER 56 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1a90 h SER 56 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1a90 h SER 56 CO 0.00 0.00 -0.29 -0.83 -0.87 0.00 0.00 176.83 174.84 1a90 s GLY 57 N -3.84 1.21 0.42 -0.77 0.00 -1.26 -4.99 107.32 98.09 1a90 s GLY 57 Ca -0.05 -1.38 -0.11 0.00 0.00 0.00 0.00 44.72 43.18 1a90 s GLY 57 CO 0.84 -1.00 0.79 -0.42 0.00 0.00 0.00 173.10 173.31 1a90 s ILE 58 N -3.66 4.77 -0.16 0.90 1.09 -0.87 -4.54 121.20 118.72 1a90 s ILE 58 Ca 0.30 0.66 0.01 0.00 -1.10 0.00 0.00 60.65 60.53 1a90 s ILE 58 Cb 0.01 -3.74 0.01 0.00 -1.06 0.00 0.00 42.46 37.69 1a90 s ILE 58 CO 0.15 -0.56 -0.19 -0.54 -0.10 0.00 0.00 174.94 173.70 1a90 s LYS 59 N -3.92 3.06 -0.87 2.79 1.02 -0.61 -1.01 119.74 120.20 1a90 s LYS 59 Ca 0.52 -0.82 -0.17 0.00 0.02 0.00 0.00 55.97 55.52 1a90 s LYS 59 Cb -0.10 -2.53 0.16 0.00 -0.52 0.00 0.00 37.83 34.84 1a90 s LYS 59 CO 0.32 -0.07 0.97 0.71 -0.92 0.00 0.00 175.35 176.35 1a90 s TYR 60 N 0.98 3.36 0.02 3.18 2.02 0.18 -0.40 117.35 126.69 1a90 s TYR 60 Ca -0.03 -1.59 -0.26 0.00 -0.37 0.00 0.00 57.07 54.82 1a90 s TYR 60 Cb -0.15 -4.09 -0.05 0.00 -0.40 0.00 0.00 41.96 37.28 1a90 s TYR 60 CO -0.05 -1.29 0.81 0.42 -1.57 0.00 0.00 175.55 173.87 1a90 s ILE 61 N 1.73 4.80 0.03 2.71 -1.09 -0.26 -1.44 121.20 127.68 1a90 s ILE 61 Ca 0.26 1.71 0.03 0.00 -2.23 0.00 0.00 60.65 60.42 1a90 s ILE 61 Cb -0.08 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1a90 s ILE 61 CO -0.08 0.30 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.60 1a90 s LEU 62 N 0.32 2.15 -0.04 2.97 1.98 0.11 -1.32 118.68 124.86 1a90 s LEU 62 Ca 0.42 -0.39 -0.08 0.00 -2.89 0.00 0.00 54.13 51.19 1a90 s LEU 62 Cb -0.20 -0.41 0.01 0.00 0.66 0.00 0.00 46.19 46.25 1a90 s LEU 62 CO 0.23 -0.02 0.18 -1.10 -1.89 0.00 0.00 176.35 173.76 1a90 s GLN 63 N -0.98 0.38 -0.22 1.98 -0.21 -0.27 -1.09 119.66 119.24 1a90 s GLN 63 Ca -0.01 -0.05 -0.27 0.00 0.02 0.00 0.00 55.36 55.04 1a90 s GLN 63 Cb -0.07 0.17 0.12 0.00 1.00 0.00 0.00 33.01 34.22 1a90 s GLN 63 CO 0.01 -0.08 0.98 0.14 -2.12 0.00 0.00 175.29 174.21 1a90 s VAL 64 N -0.66 0.00 -1.41 1.09 -7.23 -0.91 -0.95 120.40 110.33 1a90 s VAL 64 Ca -0.07 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.98 1a90 s VAL 64 Cb -0.04 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 35.97 1a90 s VAL 64 CO 0.01 0.00 2.20 -1.84 -0.31 0.00 0.00 175.10 175.16 1a90 n GLU 65 N 1.61 3.31 0.00 4.82 0.28 -1.23 -1.83 120.64 127.61 1a90 n GLU 65 Ca -0.12 -2.92 0.00 0.00 -0.16 0.00 0.00 57.16 53.95 1a90 n GLU 65 Cb 0.57 -3.07 0.00 0.00 1.43 0.00 0.00 31.44 30.36 1a90 n GLU 65 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1a90 n ILE 66 N 4.13 0.00 -3.11 3.84 2.08 0.62 -3.38 119.36 123.53 1a90 n ILE 66 Ca 0.51 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.64 1a90 n ILE 66 Cb 0.35 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.26 1a90 n ILE 66 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1a90 s GLY 67 N 0.00 1.94 0.07 7.39 0.00 0.33 -1.92 107.32 115.13 1a90 s GLY 67 Ca 0.00 -1.79 -0.26 0.00 0.00 0.00 0.00 44.72 42.67 1a90 s GLY 67 CO 0.00 -1.57 0.68 -1.60 0.00 0.00 0.00 173.10 170.61 1a90 s ARG 68 N -4.39 1.13 -0.44 2.90 3.52 -1.26 -2.30 118.95 118.12 1a90 s ARG 68 Ca 0.55 -0.25 0.05 0.00 -0.13 0.00 0.00 55.73 55.95 1a90 s ARG 68 Cb -0.08 0.52 0.17 0.00 -1.56 0.00 0.00 34.95 34.01 1a90 s ARG 68 CO 0.33 -0.46 0.50 0.95 -0.81 0.00 0.00 175.30 175.82 1a90 s THR 69 N -2.95 -0.37 0.00 4.11 -4.23 0.68 0.10 115.64 112.98 1a90 s THR 69 Ca -0.01 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1a90 s THR 69 Cb -0.01 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.23 1a90 s THR 69 CO -0.06 -0.58 0.00 1.07 -0.54 0.00 0.00 174.62 174.51 1a90 n THR 70 N 3.28 0.00 -2.29 3.99 5.66 0.10 -2.48 114.28 122.54 1a90 n THR 70 Ca 0.20 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 61.02 1a90 n THR 70 Cb 0.51 -0.17 0.02 0.00 -1.55 0.00 0.00 70.33 69.13 1a90 n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a90 n PRO 72 N 0.06 0.00 -0.07 0.00 -0.04 -1.12 -4.60 135.00 129.23 1a90 n PRO 72 Ca -0.04 0.24 -0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1a90 n PRO 72 Cb 0.35 -0.90 -0.06 0.00 -0.04 0.00 0.00 33.50 32.86 1a90 n PRO 72 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1a90 h LYS 73 N 0.00 0.00 0.00 0.54 6.56 -1.83 -3.45 116.57 118.39 1a90 h LYS 73 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1a90 h LYS 73 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1a90 h LYS 73 CO 0.00 0.45 0.00 0.43 -2.06 0.00 0.00 179.45 178.27 1a90 n SER 74 N -4.64 0.00 -3.71 0.86 7.64 -1.26 -4.76 113.62 107.74 1a90 n SER 74 Ca -0.10 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.51 1a90 n SER 74 Cb 0.31 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1a90 n SER 74 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a90 n SER 75 N 4.23 -2.39 0.00 6.43 7.64 -1.26 -4.77 113.62 123.50 1a90 n SER 75 Ca 0.00 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.29 1a90 n SER 75 Cb 0.00 -2.04 0.00 0.00 -1.01 0.00 0.00 64.21 61.16 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a90 n GLY 76 N -1.01 -1.00 0.00 0.23 0.00 -1.26 -5.16 105.19 96.99 1a90 n GLY 76 Ca 0.05 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.96 1a90 n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a90 n ASP 77 N 0.00 0.00 0.00 1.61 8.00 -1.26 -4.18 116.55 120.72 1a90 n ASP 77 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1a90 n ASP 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1a90 n ASP 77 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1a90 n LEU 78 N 0.00 0.00 -4.05 0.64 0.00 -1.26 -4.96 117.00 107.37 1a90 n LEU 78 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.65 1a90 n LEU 78 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 43.42 43.47 1a90 n LEU 78 CO 0.00 0.00 -1.19 0.00 0.00 0.00 0.00 177.39 176.20 1a90 n GLN 79 N 0.00 -0.03 -1.90 1.96 1.13 -1.26 -4.80 117.38 112.48 1a90 n GLN 79 Ca 0.00 -0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.70 1a90 n GLN 79 Cb 0.00 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1a90 n GLN 79 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1a90 n SER 80 N 2.95 7.23 -3.12 1.08 7.64 -1.26 -5.01 113.62 123.12 1a90 n SER 80 Ca -0.01 -3.54 -0.41 0.00 1.01 0.00 0.00 58.87 55.92 1a90 n SER 80 Cb 0.56 -1.17 -0.06 0.00 -1.01 0.00 0.00 64.21 62.53 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a90 s GLU 82 N 0.04 0.08 0.16 0.00 2.12 -1.26 -4.91 118.70 114.94 1a90 s GLU 82 Ca 0.63 -0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.84 1a90 s GLU 82 Cb -0.88 0.02 0.24 0.00 0.26 0.00 0.00 34.13 33.77 1a90 s GLU 82 CO 0.40 -0.04 0.98 1.19 -0.54 0.00 0.00 175.26 177.25 1a90 n PHE 83 N -0.88 0.15 -2.63 5.30 3.72 0.29 -0.73 117.46 122.68 1a90 n PHE 83 Ca 0.03 0.77 -0.03 0.00 -0.05 0.00 0.00 57.45 58.17 1a90 n PHE 83 Cb 0.59 -0.82 0.05 0.00 -0.94 0.00 0.00 39.48 38.37 1a90 n PHE 83 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1a90 n HIS 84 N -4.99 -1.10 -3.77 1.38 8.25 -1.25 -3.63 115.22 110.11 1a90 n HIS 84 Ca 0.09 -1.00 -0.27 0.00 -0.26 0.00 0.00 57.72 56.28 1a90 n HIS 84 Cb 0.29 1.19 0.05 0.00 1.12 0.00 0.00 29.99 32.64 1a90 n HIS 84 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1a90 n ASP 85 N -0.66 -4.85 0.00 0.41 8.00 -1.24 -4.80 116.55 113.41 1a90 n ASP 85 Ca -0.13 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1a90 n ASP 85 Cb 0.70 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 1a90 n ASP 85 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1a90 n GLU 86 N -4.73 0.00 0.02 -1.24 0.28 -1.26 -4.97 120.64 108.74 1a90 n GLU 86 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.80 1a90 n GLU 86 Cb 0.56 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.29 1a90 n GLU 86 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1a90 h PRO 87 N 0.00 0.26 0.00 3.44 0.13 -1.91 -1.47 132.00 132.45 1a90 h PRO 87 Ca 0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1a90 h PRO 87 Cb 0.00 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1a90 h PRO 87 CO 0.00 1.17 0.00 -1.91 -0.23 0.00 0.00 178.00 177.03 1a90 n GLU 88 N -4.23 0.01 -1.33 0.86 0.00 -1.26 -1.93 120.64 112.76 1a90 n GLU 88 Ca -0.13 0.44 0.04 0.00 0.00 0.00 0.00 57.16 57.51 1a90 n GLU 88 Cb 0.73 -1.52 0.03 0.00 0.00 0.00 0.00 31.44 30.69 1a90 n GLU 88 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1a90 n LEU 89 N -1.53 1.06 -3.12 4.31 7.94 -1.21 -4.88 117.00 119.58 1a90 n LEU 89 Ca 0.01 -2.08 -0.23 0.00 -1.11 0.00 0.00 56.01 52.61 1a90 n LEU 89 Cb 0.05 -0.05 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1a90 n LEU 89 CO 0.04 0.55 -0.08 0.00 -1.11 0.00 0.00 177.39 176.80 1a90 n ALA 90 N 0.31 3.18 -0.94 1.96 0.00 -0.56 -3.94 120.51 120.52 1a90 n ALA 90 Ca 0.07 -3.98 -0.01 0.00 0.00 0.00 0.00 53.44 49.51 1a90 n ALA 90 Cb 1.07 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.69 1a90 n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a90 n LYS 91 N 0.24 -0.93 -4.21 0.00 5.02 -1.26 -4.89 118.16 112.13 1a90 n LYS 91 Ca 0.27 -0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.30 1a90 n LYS 91 Cb 0.53 -0.15 -0.08 0.00 -0.02 0.00 0.00 35.03 35.31 1a90 n LYS 91 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1a90 s TYR 92 N -0.82 1.42 0.04 2.13 1.51 -1.26 -4.76 117.35 115.60 1a90 s TYR 92 Ca 0.04 -1.48 0.02 0.00 -1.01 0.00 0.00 57.07 54.64 1a90 s TYR 92 Cb -0.01 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.30 1a90 s TYR 92 CO 0.04 -0.87 -0.07 -0.08 -1.11 0.00 0.00 175.55 173.46 1a90 s THR 93 N -3.58 0.44 -0.44 -0.71 -1.32 -0.81 -4.87 115.64 104.36 1a90 s THR 93 Ca 0.38 -1.08 -0.20 0.00 -1.21 0.00 0.00 61.69 59.57 1a90 s THR 93 Cb 0.03 -0.58 0.02 0.00 -1.51 0.00 0.00 72.50 70.46 1a90 s THR 93 CO 0.21 -0.44 0.61 -0.89 -2.21 0.00 0.00 174.62 171.90 1a90 s THR 94 N -1.52 4.87 0.18 5.08 2.01 -1.26 0.23 115.64 125.23 1a90 s THR 94 Ca -0.10 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.01 1a90 s THR 94 Cb -0.09 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1a90 s THR 94 CO -0.00 -0.57 -0.17 0.00 -0.69 0.00 0.00 174.62 173.19 1a90 s THR 96 N -2.36 0.88 -0.10 0.00 2.01 -0.67 -2.15 115.64 113.25 1a90 s THR 96 Ca 0.18 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1a90 s THR 96 Cb -0.04 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 1a90 s THR 96 CO 0.07 0.25 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.74 1a90 s PHE 97 N -0.17 2.72 -0.23 4.92 0.08 -0.25 -1.75 117.98 123.30 1a90 s PHE 97 Ca 0.03 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.55 1a90 s PHE 97 Cb -0.05 -1.74 0.06 0.00 -0.57 0.00 0.00 43.02 40.71 1a90 s PHE 97 CO -0.00 -0.11 -0.08 0.08 -0.10 0.00 0.00 175.22 175.01 1a90 s VAL 98 N -0.02 1.71 -0.13 -0.44 1.01 -0.84 0.07 120.40 121.76 1a90 s VAL 98 Ca -0.04 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.68 1a90 s VAL 98 Cb -0.14 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1a90 s VAL 98 CO 0.04 -0.03 -0.18 -0.69 0.00 0.00 0.00 175.10 174.25 1a90 s VAL 99 N 1.32 1.73 -0.01 2.92 1.01 -0.52 -0.87 120.40 125.99 1a90 s VAL 99 Ca -0.06 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1a90 s VAL 99 Cb -0.19 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1a90 s VAL 99 CO -0.06 0.49 1.09 -0.47 0.00 0.00 0.00 175.10 176.14 1a90 s TYR 100 N 1.04 3.49 -0.33 5.22 5.04 -0.36 0.51 117.35 131.97 1a90 s TYR 100 Ca -0.04 1.48 0.03 0.00 -2.44 0.00 0.00 57.07 56.11 1a90 s TYR 100 Cb -0.15 -3.27 0.10 0.00 0.35 0.00 0.00 41.96 38.99 1a90 s TYR 100 CO -0.04 -0.64 0.04 -1.54 -1.34 0.00 0.00 175.55 172.03 1a90 s SER 101 N 1.12 4.64 -0.48 4.32 1.04 -0.18 -1.08 113.70 123.07 1a90 s SER 101 Ca 0.54 -2.02 -0.24 0.00 0.48 0.00 0.00 55.95 54.71 1a90 s SER 101 Cb -0.24 -1.52 0.03 0.00 0.10 0.00 0.00 66.02 64.39 1a90 s SER 101 CO 0.26 -0.37 0.87 -0.63 0.98 0.00 0.00 173.24 174.35 1a90 s ILE 102 N 1.01 4.52 0.00 -1.02 1.01 -0.81 -2.06 121.20 123.86 1a90 s ILE 102 Ca 0.09 0.47 -0.25 0.00 0.00 0.00 0.00 60.65 60.97 1a90 s ILE 102 Cb -0.19 -4.42 -0.17 0.00 0.01 0.00 0.00 42.46 37.69 1a90 s ILE 102 CO -0.10 -0.87 1.26 1.55 0.00 0.00 0.00 174.94 176.78 1a90 h PRO 103 N 9.11 -0.24 0.00 2.79 0.13 -1.94 0.59 132.00 142.43 1a90 h PRO 103 Ca -0.25 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1a90 h PRO 103 Cb 1.08 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1a90 h PRO 103 CO 1.02 0.10 0.09 -2.67 -0.23 0.00 0.00 178.00 176.31 1a90 n TRP 104 N -5.04 0.15 -0.94 1.56 2.14 -1.26 -1.61 117.44 112.45 1a90 n TRP 104 Ca -0.09 0.08 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1a90 n TRP 104 Cb 0.24 -0.55 0.00 0.00 -0.81 0.00 0.00 31.31 30.19 1a90 n TRP 104 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 1a90 n LEU 105 N -1.61 0.46 -3.90 5.67 -0.00 -1.14 -5.02 117.00 111.47 1a90 n LEU 105 Ca -0.00 -0.60 -0.28 0.00 -0.00 0.00 0.00 56.01 55.12 1a90 n LEU 105 Cb 0.10 -0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 43.47 1a90 n LEU 105 CO 0.02 0.15 -0.23 -3.20 -0.00 0.00 0.00 177.39 174.13 1a90 n ASN 106 N -0.14 -1.13 -4.04 1.96 2.85 0.19 -4.87 115.26 110.08 1a90 n ASN 106 Ca 0.01 -0.93 -0.32 0.00 -0.11 0.00 0.00 54.58 53.23 1a90 n ASN 106 Cb 0.48 -1.13 -0.15 0.00 1.24 0.00 0.00 39.78 40.22 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1a90 s GLN 107 N -6.47 1.69 0.11 1.20 0.74 -0.49 -4.95 119.66 111.49 1a90 s GLN 107 Ca 0.18 -1.76 -0.10 0.00 0.05 0.00 0.00 55.36 53.73 1a90 s GLN 107 Cb -0.10 -3.19 -0.06 0.00 1.10 0.00 0.00 33.01 30.76 1a90 s GLN 107 CO 0.71 -0.88 0.44 0.42 -0.55 0.00 0.00 175.29 175.42 1a90 s ILE 108 N 0.97 5.05 -0.11 -2.34 1.01 -1.26 -1.93 121.20 122.60 1a90 s ILE 108 Ca 0.07 0.46 -0.08 0.00 0.00 0.00 0.00 60.65 61.09 1a90 s ILE 108 Cb -0.20 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.65 1a90 s ILE 108 CO -0.07 0.21 0.27 -1.59 0.00 0.00 0.00 174.94 173.77 1a90 s LYS 109 N -2.10 0.29 0.66 2.79 -2.85 -0.24 -4.96 119.74 113.33 1a90 s LYS 109 Ca 0.36 0.44 -0.12 0.00 -1.00 0.00 0.00 55.97 55.65 1a90 s LYS 109 Cb -0.14 0.07 -0.01 0.00 -2.06 0.00 0.00 37.83 35.70 1a90 s LYS 109 CO 0.19 -0.08 1.05 -1.17 0.10 0.00 0.00 175.35 175.45 1a90 s LEU 110 N 0.50 3.22 0.00 2.77 2.96 -1.26 -1.22 118.68 125.66 1a90 s LEU 110 Ca -0.03 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.52 1a90 s LEU 110 Cb -0.04 -4.50 0.00 0.00 0.50 0.00 0.00 46.19 42.15 1a90 s LEU 110 CO -0.03 -1.32 0.00 0.18 -1.32 0.00 0.00 176.35 173.86 1a90 n LEU 111 N -2.85 0.00 -3.73 -0.68 4.32 -0.04 -4.82 117.00 109.20 1a90 n LEU 111 Ca 0.08 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.65 1a90 n LEU 111 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1a90 n LEU 111 CO 0.54 0.00 1.94 1.21 -1.22 0.00 0.00 177.39 179.86 1a90 n GLU 112 N -0.36 4.27 -3.36 3.23 2.13 -1.14 -4.86 120.64 120.55 1a90 n GLU 112 Ca 0.00 -3.77 -0.46 0.00 0.66 0.00 0.00 57.16 53.60 1a90 n GLU 112 Cb 0.00 -2.72 -0.02 0.00 0.27 0.00 0.00 31.44 28.97 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1a90 s SER 113 N 0.07 6.81 0.19 4.31 1.04 -1.25 -1.99 113.70 122.88 1a90 s SER 113 Ca 0.43 -2.98 -0.23 0.00 0.48 0.00 0.00 55.95 53.66 1a90 s SER 113 Cb 0.13 -2.18 0.05 0.00 0.10 0.00 0.00 66.02 64.12 1a90 s SER 113 CO -0.03 -0.47 0.73 -0.54 0.98 0.00 0.00 173.24 173.91 1a90 s LYS 114 N -0.28 1.44 0.10 4.02 1.02 -0.72 -4.99 119.74 120.33 1a90 s LYS 114 Ca 0.22 -0.70 0.07 0.00 0.02 0.00 0.00 55.97 55.58 1a90 s LYS 114 Cb -0.10 0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 37.72 1a90 s LYS 114 CO -0.09 -0.65 -0.12 0.00 -0.92 0.00 0.00 175.35 173.58