#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 -2.62 -1.93 4.61 0.00 -1.26 -4.88 120.51 114.43 1a90 n ALA 10 Ca 0.00 -1.24 -0.28 0.00 0.00 0.00 0.00 53.44 51.92 1a90 n ALA 10 Cb 0.00 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.31 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 -3.60 2.39 -0.45 0.00 0.04 -1.26 -4.70 135.00 127.41 1a90 s PRO 11 Ca 0.47 0.09 -0.16 0.00 0.04 0.00 0.00 61.00 61.44 1a90 s PRO 11 Cb -0.09 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.43 1a90 s PRO 11 CO 0.49 -1.23 0.38 0.08 0.04 0.00 0.00 177.00 176.77 1a90 s VAL 12 N -3.35 5.21 0.54 -0.36 1.01 -1.19 -4.94 120.40 117.32 1a90 s VAL 12 Ca 0.59 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 1a90 s VAL 12 Cb -0.11 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1a90 s VAL 12 CO 0.48 -0.49 1.12 -2.16 0.00 0.00 0.00 175.10 174.04 1a90 s PRO 13 N 1.76 3.40 0.13 2.72 0.04 -1.26 -1.43 135.00 140.36 1a90 s PRO 13 Ca 0.06 1.56 0.06 0.00 0.04 0.00 0.00 61.00 62.72 1a90 s PRO 13 Cb -0.22 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1a90 s PRO 13 CO 0.09 -0.80 -0.01 0.08 0.04 0.00 0.00 177.00 176.40 1a90 s VAL 14 N -1.83 3.82 -0.06 -0.36 1.01 -1.19 -4.89 120.40 116.90 1a90 s VAL 14 Ca 0.72 -1.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.15 1a90 s VAL 14 Cb -0.23 -2.87 0.11 0.00 0.00 0.00 0.00 36.38 33.40 1a90 s VAL 14 CO 0.27 0.00 1.08 -1.81 0.00 0.00 0.00 175.10 174.63 1a90 s ASP 15 N -2.63 -0.21 0.00 3.32 1.11 -1.26 -4.97 116.67 112.02 1a90 s ASP 15 Ca 0.26 -0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.93 1a90 s ASP 15 Cb -0.10 0.27 0.00 0.00 1.07 0.00 0.00 42.92 44.16 1a90 s ASP 15 CO 0.18 -0.45 0.00 1.21 1.18 0.00 0.00 175.17 177.29 1a90 n GLU 16 N -0.24 0.00 0.00 8.23 2.13 -1.26 -4.26 120.64 125.24 1a90 n GLU 16 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1a90 n GLU 16 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 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 2.24 0.00 -2.88 4.31 2.85 -1.26 -5.09 115.26 115.42 1a90 n ASN 17 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 1a90 n ASN 17 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 1a90 n ASN 17 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1a90 n ASP 18 N 0.00 -7.63 -0.05 1.20 8.00 -1.26 -4.40 116.55 112.41 1a90 n ASP 18 Ca 0.00 0.92 0.18 0.00 0.71 0.00 0.00 54.79 56.60 1a90 n ASP 18 Cb 0.00 -4.56 0.63 0.00 -0.02 0.00 0.00 41.12 37.17 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1a90 h GLU 19 N 2.76 0.13 0.46 -1.24 4.11 -1.98 -1.48 114.58 117.35 1a90 h GLU 19 Ca -0.05 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1a90 h GLU 19 Cb 0.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1a90 h GLU 19 CO 0.12 0.09 -0.22 0.78 0.07 0.00 0.00 179.01 179.85 1a90 h GLY 20 N 0.14 -0.65 1.12 1.06 0.00 -1.99 -0.88 103.07 101.87 1a90 h GLY 20 Ca 0.28 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.90 1a90 h GLY 20 CO -0.04 -0.24 0.46 -2.00 0.00 0.00 0.00 176.54 174.73 1a90 h LEU 21 N -0.76 0.68 -1.12 3.11 7.12 -1.64 -0.14 115.31 122.56 1a90 h LEU 21 Ca -0.06 -0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.90 1a90 h LEU 21 Cb 0.54 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 1a90 h LEU 21 CO 0.10 0.45 0.09 1.56 -0.13 0.00 0.00 178.44 180.51 1a90 h GLN 22 N 0.78 0.71 0.00 1.25 4.20 -0.96 0.38 115.11 121.47 1a90 h GLN 22 Ca 0.29 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1a90 h GLN 22 Cb 0.17 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1a90 h GLN 22 CO -0.09 0.66 0.00 0.00 -0.67 0.00 0.00 178.83 178.73 1a90 h ARG 23 N 0.68 0.00 0.03 1.46 2.47 0.40 -1.05 114.38 118.37 1a90 h ARG 23 Ca 0.15 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1a90 h ARG 23 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1a90 h ARG 23 CO 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 179.97 180.52 1a90 h ALA 24 N 2.09 -0.04 -0.30 0.04 0.00 -0.33 -2.14 119.26 118.58 1a90 h ALA 24 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1a90 h ALA 24 Cb 0.48 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1a90 h ALA 24 CO 0.00 -0.05 0.04 1.25 0.00 0.00 0.00 179.25 180.50 1a90 h LEU 25 N -0.99 0.40 -0.60 0.00 6.46 -1.28 -1.80 115.31 117.50 1a90 h LEU 25 Ca -0.00 -0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.60 1a90 h LEU 25 Cb 0.45 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1a90 h LEU 25 CO 0.01 0.43 -0.50 1.56 -0.62 0.00 0.00 178.44 179.32 1a90 h GLN 26 N 0.43 0.00 0.34 1.25 4.20 -1.28 0.05 115.11 120.09 1a90 h GLN 26 Ca 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1a90 h GLN 26 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1a90 h GLN 26 CO 0.00 0.50 -0.16 0.35 -0.67 0.00 0.00 178.83 178.85 1a90 h PHE 27 N 0.00 -0.42 -0.08 2.96 3.04 -0.63 0.25 116.94 122.06 1a90 h PHE 27 Ca -0.00 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1a90 h PHE 27 Cb 1.13 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.77 1a90 h PHE 27 CO 0.00 -0.10 -0.07 0.00 -2.02 0.00 0.00 178.31 176.12 1a90 h ALA 28 N -0.68 0.11 -0.80 2.41 0.00 -1.56 -2.74 119.26 116.00 1a90 h ALA 28 Ca -0.05 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1a90 h ALA 28 Cb 0.50 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1a90 h ALA 28 CO 0.08 -0.09 0.53 0.97 0.00 0.00 0.00 179.25 180.74 1a90 h ILE 29 N -0.24 1.14 -0.63 0.00 6.09 -0.40 0.24 117.51 123.72 1a90 h ILE 29 Ca 0.01 -0.35 0.07 0.00 -1.37 0.00 0.00 64.86 63.23 1a90 h ILE 29 Cb 0.57 0.05 -0.04 0.00 0.47 0.00 0.00 36.82 37.87 1a90 h ILE 29 CO 0.02 0.18 0.42 0.00 -3.07 0.00 0.00 178.15 175.70 1a90 h ALA 30 N 1.53 1.85 0.00 0.18 0.00 -0.79 0.31 119.26 122.34 1a90 h ALA 30 Ca 0.31 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1a90 h ALA 30 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1a90 h ALA 30 CO -0.09 0.03 -0.51 0.93 0.00 0.00 0.00 179.25 179.62 1a90 h GLU 31 N 0.57 0.00 -0.14 0.00 3.07 -0.26 -2.25 114.58 115.56 1a90 h GLU 31 Ca 0.28 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1a90 h GLU 31 Cb 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1a90 h GLU 31 CO -0.09 0.51 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.09 1a90 h TYR 32 N 0.00 0.30 0.22 4.33 3.20 0.53 0.41 116.97 125.96 1a90 h TYR 32 Ca -0.01 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1a90 h TYR 32 Cb 1.10 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1a90 h TYR 32 CO 0.00 0.54 -0.10 -0.97 -1.64 0.00 0.00 178.16 175.99 1a90 h ASN 33 N -0.02 -0.25 0.57 -2.11 -0.00 -1.28 -0.95 115.58 111.54 1a90 h ASN 33 Ca 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 1a90 h ASN 33 Cb 0.44 0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.82 1a90 h ASN 33 CO 0.01 -0.15 0.00 0.03 -0.00 0.00 0.00 177.43 177.32 1a90 h ARG 34 N -0.32 0.00 -0.01 6.67 2.47 -1.37 -1.63 114.38 120.19 1a90 h ARG 34 Ca -0.03 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.53 1a90 h ARG 34 Cb 0.25 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1a90 h ARG 34 CO 0.05 0.00 -0.72 0.00 0.56 0.00 0.00 179.97 179.86 1a90 h ALA 35 N 2.16 0.78 0.00 0.04 0.00 0.12 -3.18 119.26 119.18 1a90 h ALA 35 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 54.91 54.02 1a90 h ALA 35 Cb 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1a90 h ALA 35 CO 0.00 0.86 -1.60 0.45 0.00 0.00 0.00 179.25 178.96 1a90 n SER 36 N -3.72 0.86 -0.19 0.00 2.88 -0.70 -5.06 113.62 107.68 1a90 n SER 36 Ca -0.02 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1a90 n SER 36 Cb 0.70 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 1a90 n SER 36 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a90 n ASN 37 N -2.98 -1.98 0.21 -3.46 3.02 -0.70 -3.51 115.26 105.86 1a90 n ASN 37 Ca -0.14 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.55 1a90 n ASN 37 Cb 0.97 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 40.70 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1a90 h ASP 38 N 0.00 0.00 -0.07 6.41 3.58 -1.90 -2.87 116.42 121.58 1a90 h ASP 38 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 1a90 h ASP 38 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1a90 h ASP 38 CO 0.00 0.00 0.09 0.11 -2.88 0.00 0.00 179.24 176.56 1a90 h LYS 39 N 0.00 0.00 0.00 0.28 1.57 -1.82 -3.33 116.57 113.27 1a90 h LYS 39 Ca 0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1a90 h LYS 39 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1a90 h LYS 39 CO 0.00 0.00 0.51 0.66 -0.57 0.00 0.00 179.45 180.05 1a90 n TYR 40 N -3.66 -1.30 -4.28 -1.35 4.01 -1.08 -4.45 117.16 105.05 1a90 n TYR 40 Ca -0.01 -1.14 -0.21 0.00 -0.16 0.00 0.00 57.90 56.38 1a90 n TYR 40 Cb 0.19 0.56 -0.13 0.00 -0.31 0.00 0.00 39.34 39.65 1a90 n TYR 40 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a90 s SER 41 N -3.14 1.93 -0.21 7.72 0.15 -1.02 -4.30 113.70 114.83 1a90 s SER 41 Ca 0.20 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 56.23 1a90 s SER 41 Cb -0.03 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.26 1a90 s SER 41 CO 0.05 0.00 0.08 -0.44 1.20 0.00 0.00 173.24 174.13 1a90 s SER 42 N -1.57 2.94 0.27 5.45 0.01 -1.26 -1.33 113.70 118.21 1a90 s SER 42 Ca 0.02 -0.91 0.12 0.00 1.31 0.00 0.00 55.95 56.48 1a90 s SER 42 Cb -0.09 -0.46 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 1a90 s SER 42 CO 0.02 -0.35 -0.19 -0.60 0.41 0.00 0.00 173.24 172.53 1a90 s ARG 43 N 1.97 1.70 1.20 12.44 6.06 -0.72 -4.08 118.95 137.51 1a90 s ARG 43 Ca 0.03 -1.73 -0.19 0.00 -2.50 0.00 0.00 55.73 51.34 1a90 s ARG 43 Cb -0.17 -1.80 0.30 0.00 0.06 0.00 0.00 34.95 33.35 1a90 s ARG 43 CO -0.15 0.34 0.68 1.55 -2.50 0.00 0.00 175.30 175.22 1a90 n VAL 44 N -0.54 0.00 0.00 7.11 3.14 -1.26 -1.60 118.33 125.17 1a90 n VAL 44 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1a90 n VAL 44 Cb 0.60 -0.78 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 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 -5.24 0.00 -3.64 1.55 0.31 -1.26 -4.40 118.33 105.65 1a90 n VAL 45 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.14 1a90 n VAL 45 Cb 0.47 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.27 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 -0.64 0.85 1.03 5.55 0.52 -1.26 -5.03 118.95 119.97 1a90 s ARG 46 Ca 0.00 -1.45 -0.24 0.00 -0.52 0.00 0.00 55.73 53.52 1a90 s ARG 46 Cb 0.00 -1.88 -0.10 0.00 0.52 0.00 0.00 34.95 33.48 1a90 s ARG 46 CO 0.00 -1.11 -0.99 1.55 0.02 0.00 0.00 175.30 174.77 1a90 n VAL 47 N 4.18 0.00 0.01 3.52 3.14 -1.26 -3.62 118.33 124.30 1a90 n VAL 47 Ca 0.05 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 1a90 n VAL 47 Cb 0.38 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1a90 n VAL 47 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1a90 n ILE 48 N -3.63 0.00 -3.57 1.55 5.41 -0.00 -4.82 119.36 114.31 1a90 n ILE 48 Ca -0.01 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.45 1a90 n ILE 48 Cb 0.69 -0.42 -0.15 0.00 -0.71 0.00 0.00 39.64 39.05 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 -4.51 3.47 -0.36 4.38 0.01 -1.21 -4.94 113.70 110.54 1a90 s SER 49 Ca 0.00 -1.25 0.03 0.00 1.31 0.00 0.00 55.95 56.04 1a90 s SER 49 Cb 0.00 -0.39 0.10 0.00 0.21 0.00 0.00 66.02 65.94 1a90 s SER 49 CO 0.00 -0.43 0.08 0.00 0.41 0.00 0.00 173.24 173.30 1a90 s ALA 50 N 2.06 2.95 0.18 1.44 0.00 -1.25 -1.02 121.76 126.11 1a90 s ALA 50 Ca 0.08 -2.59 0.01 0.00 0.00 0.00 0.00 51.96 49.46 1a90 s ALA 50 Cb -0.16 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 1a90 s ALA 50 CO -0.33 -1.72 0.03 0.15 0.00 0.00 0.00 175.76 173.89 1a90 s LYS 51 N 0.84 1.13 -0.56 0.00 1.02 -0.27 -3.20 119.74 118.70 1a90 s LYS 51 Ca 0.11 -1.56 0.04 0.00 0.02 0.00 0.00 55.97 54.58 1a90 s LYS 51 Cb -0.20 -0.16 0.16 0.00 -0.52 0.00 0.00 37.83 37.12 1a90 s LYS 51 CO -0.07 -0.19 0.39 1.03 -0.92 0.00 0.00 175.35 175.59 1a90 s ARG 52 N -3.97 1.79 0.69 1.68 0.52 -0.51 -0.56 118.95 118.59 1a90 s ARG 52 Ca 0.27 -2.71 -0.17 0.00 -0.52 0.00 0.00 55.73 52.59 1a90 s ARG 52 Cb 0.07 -2.66 -0.11 0.00 0.52 0.00 0.00 34.95 32.77 1a90 s ARG 52 CO 0.05 -1.28 -0.02 0.94 0.02 0.00 0.00 175.30 175.02 1a90 n GLN 53 N 2.57 0.12 -3.81 3.54 -0.06 0.23 -3.20 117.38 116.77 1a90 n GLN 53 Ca 0.20 0.06 -0.28 0.00 -2.00 0.00 0.00 57.00 54.97 1a90 n GLN 53 Cb 0.38 -1.32 -0.12 0.00 -4.06 0.00 0.00 30.24 25.12 1a90 n GLN 53 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1a90 s LEU 54 N 3.64 4.12 0.00 1.69 2.96 -1.26 -1.78 118.68 128.05 1a90 s LEU 54 Ca 0.57 -3.61 0.00 0.00 -0.22 0.00 0.00 54.13 50.87 1a90 s LEU 54 Cb -0.37 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1a90 s LEU 54 CO 0.67 -0.12 0.00 0.55 -1.32 0.00 0.00 176.35 176.13 1a90 n VAL 55 N 2.27 0.00 -0.59 1.68 3.14 -1.26 -4.87 118.33 118.70 1a90 n VAL 55 Ca 0.20 0.00 0.46 0.00 -2.96 0.00 0.00 64.34 62.04 1a90 n VAL 55 Cb 0.37 0.00 0.72 0.00 -1.06 0.00 0.00 33.84 33.87 1a90 n VAL 55 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1a90 n SER 56 N 0.00 0.07 0.00 6.55 3.41 -1.26 -4.54 113.62 117.85 1a90 n SER 56 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 1a90 n SER 56 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1a90 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a90 n GLY 57 N -1.73 4.86 3.17 5.00 0.00 -1.26 -4.98 105.19 110.24 1a90 n GLY 57 Ca 0.41 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1a90 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a90 s ILE 58 N 1.41 1.36 -0.12 -0.61 1.09 -0.84 -4.27 121.20 119.21 1a90 s ILE 58 Ca 0.00 -0.79 -0.03 0.00 -1.10 0.00 0.00 60.65 58.73 1a90 s ILE 58 Cb 0.00 -1.14 -0.03 0.00 -1.06 0.00 0.00 42.46 40.23 1a90 s ILE 58 CO 0.00 0.34 -0.03 -0.54 -0.10 0.00 0.00 174.94 174.61 1a90 s LYS 59 N -0.53 3.37 -0.67 2.79 1.02 -0.73 -1.36 119.74 123.63 1a90 s LYS 59 Ca 0.06 -0.48 -0.09 0.00 0.02 0.00 0.00 55.97 55.48 1a90 s LYS 59 Cb -0.07 -2.85 0.17 0.00 -0.52 0.00 0.00 37.83 34.56 1a90 s LYS 59 CO -0.00 0.43 0.56 0.71 -0.92 0.00 0.00 175.35 176.13 1a90 s TYR 60 N -0.15 3.55 0.12 3.18 1.51 0.17 0.76 117.35 126.49 1a90 s TYR 60 Ca 0.04 -2.16 -0.30 0.00 -1.01 0.00 0.00 57.07 53.64 1a90 s TYR 60 Cb -0.13 -3.55 -0.06 0.00 -0.11 0.00 0.00 41.96 38.11 1a90 s TYR 60 CO 0.02 -0.94 0.95 0.42 -1.11 0.00 0.00 175.55 174.89 1a90 s ILE 61 N 0.43 4.46 0.02 2.71 -1.09 0.28 -1.46 121.20 126.54 1a90 s ILE 61 Ca 0.14 2.06 0.03 0.00 -2.23 0.00 0.00 60.65 60.65 1a90 s ILE 61 Cb -0.18 -4.32 -0.02 0.00 -1.58 0.00 0.00 42.46 36.36 1a90 s ILE 61 CO -0.05 0.34 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.70 1a90 s LEU 62 N -0.14 2.14 -0.07 2.97 1.98 0.15 -1.12 118.68 124.59 1a90 s LEU 62 Ca 0.46 -0.35 -0.11 0.00 -2.89 0.00 0.00 54.13 51.24 1a90 s LEU 62 Cb -0.24 -0.32 0.02 0.00 0.66 0.00 0.00 46.19 46.32 1a90 s LEU 62 CO 0.30 -0.04 0.29 -1.10 -1.89 0.00 0.00 176.35 173.91 1a90 s GLN 63 N -0.89 0.45 -0.28 1.98 1.11 -0.19 -1.02 119.66 120.83 1a90 s GLN 63 Ca -0.02 0.17 -0.25 0.00 0.01 0.00 0.00 55.36 55.26 1a90 s GLN 63 Cb -0.06 0.21 0.12 0.00 -1.01 0.00 0.00 33.01 32.26 1a90 s GLN 63 CO 0.00 -0.09 1.01 0.14 0.01 0.00 0.00 175.29 176.36 1a90 s VAL 64 N -0.41 0.00 -1.41 1.09 -7.23 -0.89 -0.82 120.40 110.73 1a90 s VAL 64 Ca -0.05 0.00 -0.14 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 0.02 0.00 2.10 -0.62 -0.31 0.00 0.00 175.10 176.29 1a90 n GLU 65 N 2.21 3.03 -0.81 4.82 1.02 -1.24 -1.84 120.64 127.83 1a90 n GLU 65 Ca -0.13 -2.85 -0.28 0.00 -0.02 0.00 0.00 57.16 53.88 1a90 n GLU 65 Cb 0.56 -3.25 0.03 0.00 -0.02 0.00 0.00 31.44 28.76 1a90 n GLU 65 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1a90 n ILE 66 N 4.95 0.00 -4.26 -3.67 2.08 0.23 -4.00 119.36 114.69 1a90 n ILE 66 Ca 0.49 -0.38 -0.18 0.00 0.56 0.00 0.00 62.75 63.24 1a90 n ILE 66 Cb 0.39 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.20 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 -0.77 2.12 0.28 7.39 0.00 -0.63 -0.63 107.32 115.09 1a90 s GLY 67 Ca 0.33 -1.98 0.06 0.00 0.00 0.00 0.00 44.72 43.13 1a90 s GLY 67 CO 0.61 -1.45 -0.05 0.50 0.00 0.00 0.00 173.10 172.71 1a90 s ARG 68 N -3.60 1.55 -0.26 2.90 0.52 -1.26 -1.76 118.95 117.04 1a90 s ARG 68 Ca 0.40 -1.79 -0.00 0.00 -0.52 0.00 0.00 55.73 53.82 1a90 s ARG 68 Cb 0.03 -1.12 0.08 0.00 0.52 0.00 0.00 34.95 34.46 1a90 s ARG 68 CO 0.24 0.02 0.03 0.95 0.02 0.00 0.00 175.30 176.56 1a90 s THR 69 N -3.04 1.16 0.00 0.02 -4.23 -0.44 -3.79 115.64 105.31 1a90 s THR 69 Ca 0.30 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1a90 s THR 69 Cb 0.04 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1a90 s THR 69 CO 0.12 -0.39 0.00 1.07 -0.54 0.00 0.00 174.62 174.88 1a90 n THR 70 N 4.77 0.00 -3.60 3.99 5.66 -0.35 -2.45 114.28 122.30 1a90 n THR 70 Ca -0.06 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.59 1a90 n THR 70 Cb 0.44 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.24 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 -0.95 0.00 0.00 0.00 -0.04 -1.26 -4.83 135.00 127.91 1a90 n PRO 72 Ca -0.16 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1a90 n PRO 72 Cb 0.69 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 1a90 n PRO 72 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1a90 n LYS 73 N -0.96 0.00 0.00 0.54 0.00 -1.25 -4.64 118.16 111.85 1a90 n LYS 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1a90 n LYS 73 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 34.95 1a90 n LYS 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a90 n SER 74 N -2.05 0.00 0.00 3.14 2.88 -1.26 -4.64 113.62 111.68 1a90 n SER 74 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a90 n SER 74 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1a90 n SER 74 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1a90 n SER 75 N 1.87 0.00 0.00 -3.46 7.64 -1.26 -4.98 113.62 113.43 1a90 n SER 75 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a90 n SER 75 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.22 7.00 0.23 0.00 -1.26 -5.14 105.19 106.24 1a90 n GLY 76 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1a90 n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a90 n ASP 77 N -1.40 -0.29 0.00 1.61 5.75 -1.26 -4.22 116.55 116.75 1a90 n ASP 77 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1a90 n ASP 77 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1a90 n LEU 78 N 0.00 0.94 -3.65 -2.12 4.32 -1.26 -5.02 117.00 110.21 1a90 n LEU 78 Ca 0.00 0.39 -0.02 0.00 -0.02 0.00 0.00 56.01 56.36 1a90 n LEU 78 Cb 0.00 -0.31 -0.07 0.00 -1.62 0.00 0.00 43.42 41.42 1a90 n LEU 78 CO 0.00 -0.31 0.86 -1.10 -1.22 0.00 0.00 177.39 175.61 1a90 s GLN 79 N -0.89 0.25 0.00 3.23 -0.21 -1.26 -5.13 119.66 115.65 1a90 s GLN 79 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.77 1a90 s GLN 79 Cb 0.00 0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.08 1a90 s GLN 79 CO 0.00 -0.04 0.00 0.43 -2.12 0.00 0.00 175.29 173.56 1a90 n SER 80 N 2.98 0.00 -3.10 5.90 7.64 -1.26 -5.10 113.62 120.68 1a90 n SER 80 Ca -0.16 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.72 1a90 n SER 80 Cb 0.57 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.58 0.66 0.00 0.00 0.41 -1.26 -4.97 118.70 112.96 1a90 s GLU 82 Ca -0.01 -0.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.58 1a90 s GLU 82 Cb 0.00 -0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.04 1a90 s GLU 82 CO 0.06 0.04 0.76 1.19 -0.49 0.00 0.00 175.26 176.82 1a90 n PHE 83 N 0.95 0.00 -2.70 1.61 3.01 -1.25 -1.25 117.46 117.83 1a90 n PHE 83 Ca -0.19 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.20 1a90 n PHE 83 Cb 0.57 -0.34 0.10 0.00 -0.01 0.00 0.00 39.48 39.79 1a90 n PHE 83 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1a90 n HIS 84 N -2.50 -2.19 -0.98 1.38 8.25 -1.26 -1.22 115.22 116.70 1a90 n HIS 84 Ca 0.00 -1.75 0.00 0.00 -0.26 0.00 0.00 57.72 55.71 1a90 n HIS 84 Cb 0.00 1.54 0.00 0.00 1.12 0.00 0.00 29.99 32.65 1a90 n HIS 84 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1a90 n ASP 85 N -0.32 -4.06 0.00 0.41 -0.08 -1.26 -4.92 116.55 106.32 1a90 n ASP 85 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1a90 n ASP 85 Cb 0.78 -1.85 0.00 0.00 2.34 0.00 0.00 41.12 42.40 1a90 n ASP 85 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1a90 n GLU 86 N -1.20 0.00 -0.09 -0.67 2.13 -1.26 -5.05 120.64 114.49 1a90 n GLU 86 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1a90 n GLU 86 Cb 0.22 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.84 1a90 n GLU 86 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1a90 h PRO 87 N 0.00 0.00 -0.91 5.31 0.13 -1.98 -3.10 132.00 131.46 1a90 h PRO 87 Ca 0.00 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.46 1a90 h PRO 87 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1a90 h PRO 87 CO 0.00 0.70 0.55 0.39 -0.23 0.00 0.00 178.00 179.42 1a90 n GLU 88 N -4.49 -0.03 -2.72 0.86 4.71 -1.26 -1.93 120.64 115.77 1a90 n GLU 88 Ca -0.24 0.95 -0.05 0.00 -0.01 0.00 0.00 57.16 57.81 1a90 n GLU 88 Cb 0.55 -1.81 0.07 0.00 -1.01 0.00 0.00 31.44 29.24 1a90 n GLU 88 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1a90 n LEU 89 N -4.34 0.35 -0.41 -4.62 4.77 -1.26 -4.89 117.00 106.60 1a90 n LEU 89 Ca 0.29 -3.38 0.02 0.00 -0.03 0.00 0.00 56.01 52.91 1a90 n LEU 89 Cb 1.07 0.31 0.07 0.00 -2.33 0.00 0.00 43.42 42.54 1a90 n LEU 89 CO 0.09 1.50 0.50 0.00 -1.33 0.00 0.00 177.39 178.15 1a90 n ALA 90 N -0.57 2.56 -1.06 -1.18 0.00 -0.81 -4.99 120.51 114.46 1a90 n ALA 90 Ca 0.02 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1a90 n ALA 90 Cb 0.83 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.02 -1.84 -3.82 0.00 4.76 -1.26 -4.77 118.16 111.21 1a90 n LYS 91 Ca 0.05 1.39 -0.08 0.00 -2.87 0.00 0.00 58.31 56.80 1a90 n LYS 91 Cb 0.21 -2.41 0.02 0.00 -1.84 0.00 0.00 35.03 31.01 1a90 n LYS 91 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1a90 s TYR 92 N -3.29 0.08 0.05 2.13 2.02 -1.26 -4.70 117.35 112.37 1a90 s TYR 92 Ca 0.00 -0.72 0.05 0.00 -0.37 0.00 0.00 57.07 56.03 1a90 s TYR 92 Cb 0.00 0.82 -0.02 0.00 -0.40 0.00 0.00 41.96 42.36 1a90 s TYR 92 CO 0.00 -1.51 -0.13 -0.08 -1.57 0.00 0.00 175.55 172.26 1a90 s THR 93 N -2.51 1.06 -0.50 -0.71 -1.32 0.20 -4.90 115.64 106.96 1a90 s THR 93 Ca 0.15 -1.05 -0.21 0.00 -1.21 0.00 0.00 61.69 59.37 1a90 s THR 93 Cb -0.05 -0.98 0.04 0.00 -1.51 0.00 0.00 72.50 70.00 1a90 s THR 93 CO 0.11 -0.07 0.73 -0.89 -2.21 0.00 0.00 174.62 172.29 1a90 s THR 94 N -0.95 4.71 0.08 5.08 2.01 -1.26 0.76 115.64 126.07 1a90 s THR 94 Ca 0.00 -0.10 0.07 0.00 0.31 0.00 0.00 61.69 61.98 1a90 s THR 94 Cb -0.08 -4.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1a90 s THR 94 CO 0.01 -0.85 -0.14 0.00 -0.69 0.00 0.00 174.62 172.96 1a90 s THR 96 N -1.10 1.41 -0.12 0.00 2.01 -0.62 -2.09 115.64 115.13 1a90 s THR 96 Ca 0.18 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 1a90 s THR 96 Cb -0.11 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1a90 s THR 96 CO 0.10 0.41 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.97 1a90 s PHE 97 N 0.24 2.84 -0.28 4.92 0.08 -0.18 -1.95 117.98 123.64 1a90 s PHE 97 Ca -0.08 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.53 1a90 s PHE 97 Cb -0.13 -1.82 0.08 0.00 -0.57 0.00 0.00 43.02 40.57 1a90 s PHE 97 CO 0.03 -0.08 -0.02 0.08 -0.10 0.00 0.00 175.22 175.14 1a90 s VAL 98 N 0.11 1.82 -0.21 -0.44 1.01 -0.49 0.33 120.40 122.52 1a90 s VAL 98 Ca -0.05 -1.68 -0.04 0.00 0.00 0.00 0.00 61.98 60.21 1a90 s VAL 98 Cb -0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1a90 s VAL 98 CO 0.04 -0.31 -0.02 -0.69 0.00 0.00 0.00 175.10 174.12 1a90 s VAL 99 N 1.21 3.63 -0.21 2.92 1.01 -0.54 -1.56 120.40 126.86 1a90 s VAL 99 Ca 0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1a90 s VAL 99 Cb -0.19 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1a90 s VAL 99 CO -0.09 0.42 0.46 -0.47 0.00 0.00 0.00 175.10 175.42 1a90 s TYR 100 N 1.30 3.36 -0.13 5.22 6.14 -0.77 0.44 117.35 132.91 1a90 s TYR 100 Ca 0.04 0.67 0.02 0.00 0.64 0.00 0.00 57.07 58.45 1a90 s TYR 100 Cb -0.14 -2.61 0.00 0.00 0.42 0.00 0.00 41.96 39.63 1a90 s TYR 100 CO -0.01 -0.08 -0.21 0.45 0.64 0.00 0.00 175.55 176.34 1a90 s SER 101 N 1.17 3.24 -0.37 4.32 0.15 -0.46 -0.98 113.70 120.76 1a90 s SER 101 Ca 0.21 -0.56 -0.09 0.00 0.70 0.00 0.00 55.95 56.22 1a90 s SER 101 Cb -0.15 -1.46 0.04 0.00 -1.71 0.00 0.00 66.02 62.74 1a90 s SER 101 CO 0.09 0.11 0.18 -0.63 1.20 0.00 0.00 173.24 174.19 1a90 s ILE 102 N 0.64 4.19 0.04 6.45 -1.09 -0.66 -1.98 121.20 128.79 1a90 s ILE 102 Ca -0.11 -1.08 -0.27 0.00 -2.23 0.00 0.00 60.65 56.96 1a90 s ILE 102 Cb -0.16 -3.40 -0.17 0.00 -1.58 0.00 0.00 42.46 37.15 1a90 s ILE 102 CO 0.02 -0.27 1.39 1.55 -1.23 0.00 0.00 174.94 176.40 1a90 h PRO 103 N 8.34 -0.54 0.00 2.79 0.13 -1.94 0.50 132.00 141.29 1a90 h PRO 103 Ca -0.24 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1a90 h PRO 103 Cb 1.09 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1a90 h PRO 103 CO 0.66 -0.26 0.00 -2.67 -0.23 0.00 0.00 178.00 175.50 1a90 n TRP 104 N -5.25 0.00 -0.24 1.56 2.14 -1.26 -1.30 117.44 113.08 1a90 n TRP 104 Ca -0.11 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.46 1a90 n TRP 104 Cb 0.28 -0.40 0.00 0.00 -0.81 0.00 0.00 31.31 30.38 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 -1.40 0.77 -4.14 5.67 0.00 -1.05 -5.01 117.00 111.84 1a90 n LEU 105 Ca 0.00 -0.77 -0.36 0.00 0.00 0.00 0.00 56.01 54.88 1a90 n LEU 105 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1a90 n LEU 105 CO 0.00 0.19 -0.32 -3.20 0.00 0.00 0.00 177.39 174.06 1a90 n ASN 106 N -0.01 -1.15 -3.78 1.96 2.85 0.17 -4.91 115.26 110.39 1a90 n ASN 106 Ca 0.00 -1.21 -0.24 0.00 -0.11 0.00 0.00 54.58 53.02 1a90 n ASN 106 Cb 0.07 -1.48 -0.17 0.00 1.24 0.00 0.00 39.78 39.43 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 -7.21 0.69 0.24 1.20 2.00 -0.85 -4.98 119.66 110.75 1a90 s GLN 107 Ca 0.20 0.01 0.04 0.00 -2.00 0.00 0.00 55.36 53.62 1a90 s GLN 107 Cb -0.11 -1.17 -0.03 0.00 0.80 0.00 0.00 33.01 32.50 1a90 s GLN 107 CO 0.92 -0.34 0.36 0.42 -0.50 0.00 0.00 175.29 176.15 1a90 s ILE 108 N 1.94 5.26 -0.22 -2.34 1.01 -1.26 -1.66 121.20 123.92 1a90 s ILE 108 Ca 0.04 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 1a90 s ILE 108 Cb -0.13 -3.84 0.10 0.00 0.01 0.00 0.00 42.46 38.60 1a90 s ILE 108 CO -0.06 -0.31 0.48 -0.75 0.00 0.00 0.00 174.94 174.30 1a90 s LYS 109 N -3.90 0.40 0.82 2.79 2.20 -0.15 -4.99 119.74 116.90 1a90 s LYS 109 Ca 0.35 1.14 -0.11 0.00 -0.36 0.00 0.00 55.97 56.98 1a90 s LYS 109 Cb -0.09 0.46 0.09 0.00 -1.51 0.00 0.00 37.83 36.77 1a90 s LYS 109 CO 0.29 -0.23 1.12 -1.17 -0.36 0.00 0.00 175.35 175.00 1a90 s LEU 110 N 2.62 3.00 0.00 5.43 2.96 -1.26 -1.85 118.68 129.58 1a90 s LEU 110 Ca -0.03 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 1a90 s LEU 110 Cb -0.12 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 42.03 1a90 s LEU 110 CO -0.14 -2.43 0.00 0.18 -1.32 0.00 0.00 176.35 172.63 1a90 n LEU 111 N -3.67 0.00 -3.70 -0.68 4.77 -0.60 -4.84 117.00 108.28 1a90 n LEU 111 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 1a90 n LEU 111 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1a90 n LEU 111 CO 0.51 0.00 2.12 1.21 -1.33 0.00 0.00 177.39 179.90 1a90 n GLU 112 N -0.50 4.10 -3.52 3.23 4.07 -1.17 -4.84 120.64 122.00 1a90 n GLU 112 Ca 0.00 -3.55 -0.40 0.00 -0.06 0.00 0.00 57.16 53.15 1a90 n GLU 112 Cb 0.00 -2.77 -0.05 0.00 -0.06 0.00 0.00 31.44 28.56 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1a90 s SER 113 N 0.50 6.31 0.21 4.31 1.04 -1.24 -1.40 113.70 123.44 1a90 s SER 113 Ca 0.46 -3.32 -0.21 0.00 0.48 0.00 0.00 55.95 53.36 1a90 s SER 113 Cb 0.13 -2.03 0.04 0.00 0.10 0.00 0.00 66.02 64.27 1a90 s SER 113 CO -0.04 -0.32 0.63 -0.54 0.98 0.00 0.00 173.24 173.95 1a90 s LYS 114 N -0.77 1.49 -0.15 4.02 1.02 -0.82 -4.99 119.74 119.53 1a90 s LYS 114 Ca 0.24 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1a90 s LYS 114 Cb -0.11 0.59 -0.00 0.00 -0.52 0.00 0.00 37.83 37.78 1a90 s LYS 114 CO -0.09 -0.66 -0.15 0.00 -0.92 0.00 0.00 175.35 173.53