#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a90 s ALA 10 N 0.00 2.79 0.28 4.61 0.00 -1.26 -4.78 121.76 123.40 1a90 s ALA 10 Ca 0.00 0.74 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 1a90 s ALA 10 Cb 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1a90 s ALA 10 CO 0.00 -0.56 0.87 -1.25 0.00 0.00 0.00 175.76 174.82 1a90 s PRO 11 N -3.20 4.52 -0.33 0.00 0.04 -1.26 -3.91 135.00 130.85 1a90 s PRO 11 Ca 0.70 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 1a90 s PRO 11 Cb -0.21 -2.90 0.05 0.00 0.04 0.00 0.00 34.50 31.48 1a90 s PRO 11 CO 0.25 0.35 0.08 0.08 0.04 0.00 0.00 177.00 177.80 1a90 s VAL 12 N -1.52 3.53 0.61 -0.36 1.01 -1.23 -4.96 120.40 117.48 1a90 s VAL 12 Ca 0.46 -1.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1a90 s VAL 12 Cb -0.19 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1a90 s VAL 12 CO 0.24 -0.19 1.11 -2.16 0.00 0.00 0.00 175.10 174.09 1a90 s PRO 13 N 1.34 3.08 0.94 2.72 0.04 -1.26 -1.48 135.00 140.38 1a90 s PRO 13 Ca -0.02 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1a90 s PRO 13 Cb -0.20 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.50 1a90 s PRO 13 CO 0.01 -1.04 1.04 1.55 0.04 0.00 0.00 177.00 178.61 1a90 n VAL 14 N -1.94 0.00 -3.62 -0.36 3.14 -1.17 -4.86 118.33 109.52 1a90 n VAL 14 Ca 0.11 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1a90 n VAL 14 Cb 0.52 -0.95 -0.01 0.00 -1.06 0.00 0.00 33.84 32.34 1a90 n VAL 14 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1a90 s ASP 15 N -2.54 -0.07 -0.10 6.55 1.47 -1.26 -4.94 116.67 115.77 1a90 s ASP 15 Ca 0.66 -0.11 0.00 0.00 1.18 0.00 0.00 52.55 54.28 1a90 s ASP 15 Cb -0.23 0.16 0.00 0.00 -0.34 0.00 0.00 42.92 42.51 1a90 s ASP 15 CO 0.60 -0.29 0.00 -0.62 0.68 0.00 0.00 175.17 175.54 1a90 n GLU 16 N -0.41 -2.40 0.00 2.11 1.02 -1.26 0.11 120.64 119.81 1a90 n GLU 16 Ca -0.07 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1a90 n GLU 16 Cb 0.62 -4.43 0.00 0.00 -0.02 0.00 0.00 31.44 27.61 1a90 n GLU 16 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1a90 n ASN 17 N -0.86 0.00 -3.51 1.62 5.15 -1.26 -4.67 115.26 111.72 1a90 n ASN 17 Ca -0.01 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.64 1a90 n ASN 17 Cb 0.38 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.66 1a90 n ASN 17 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1a90 n ASP 18 N 1.01 -5.59 -0.14 1.20 2.03 0.30 -4.28 116.55 111.08 1a90 n ASP 18 Ca 0.00 -0.28 0.28 0.00 0.52 0.00 0.00 54.79 55.30 1a90 n ASP 18 Cb 0.00 -2.02 0.63 0.00 -0.72 0.00 0.00 41.12 39.00 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1a90 h GLU 19 N 1.53 0.00 0.28 -0.67 4.11 -1.87 0.25 114.58 118.21 1a90 h GLU 19 Ca -0.53 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.89 1a90 h GLU 19 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1a90 h GLU 19 CO 0.26 0.00 -0.14 0.78 0.07 0.00 0.00 179.01 179.98 1a90 h GLY 20 N 0.00 -0.40 1.42 1.06 0.00 -1.98 -1.58 103.07 101.59 1a90 h GLY 20 Ca 0.41 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.91 1a90 h GLY 20 CO -0.00 -0.14 0.35 -2.00 0.00 0.00 0.00 176.54 174.74 1a90 h LEU 21 N -0.71 0.57 -0.51 3.11 7.12 -0.80 -1.51 115.31 122.59 1a90 h LEU 21 Ca -0.04 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.93 1a90 h LEU 21 Cb 0.48 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.46 1a90 h LEU 21 CO 0.06 0.40 0.19 1.56 -0.13 0.00 0.00 178.44 180.52 1a90 h GLN 22 N 0.66 0.77 0.00 1.25 4.20 -1.17 0.03 115.11 120.85 1a90 h GLN 22 Ca 0.20 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1a90 h GLN 22 Cb 0.01 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1a90 h GLN 22 CO -0.05 0.70 0.00 0.00 -0.67 0.00 0.00 178.83 178.81 1a90 h ARG 23 N 0.68 0.00 0.11 1.46 3.08 -0.33 -1.62 114.38 117.77 1a90 h ARG 23 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1a90 h ARG 23 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1a90 h ARG 23 CO -0.01 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 178.84 1a90 h ALA 24 N 2.07 -0.15 -0.65 0.04 0.00 -0.15 -2.17 119.26 118.24 1a90 h ALA 24 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1a90 h ALA 24 Cb 0.30 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1a90 h ALA 24 CO 0.00 -0.19 0.33 1.25 0.00 0.00 0.00 179.25 180.63 1a90 h LEU 25 N -0.93 0.82 -1.09 0.00 6.46 -1.09 -1.44 115.31 118.03 1a90 h LEU 25 Ca -0.02 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1a90 h LEU 25 Cb 0.51 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1a90 h LEU 25 CO 0.03 0.68 -0.15 -0.61 -0.62 0.00 0.00 178.44 177.77 1a90 h GLN 26 N 0.91 0.00 0.12 1.25 4.15 -1.37 0.91 115.11 121.08 1a90 h GLN 26 Ca 0.23 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 1a90 h GLN 26 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1a90 h GLN 26 CO -0.03 0.15 -0.06 0.35 -1.93 0.00 0.00 178.83 177.31 1a90 h PHE 27 N 0.00 -0.15 -0.07 3.99 3.04 -0.59 -2.13 116.94 121.03 1a90 h PHE 27 Ca -0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1a90 h PHE 27 Cb 0.72 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.28 1a90 h PHE 27 CO 0.00 0.17 -0.09 0.00 -2.02 0.00 0.00 178.31 176.37 1a90 h ALA 28 N -0.67 0.10 -0.97 2.41 0.00 -1.50 -2.56 119.26 116.07 1a90 h ALA 28 Ca -0.02 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.68 1a90 h ALA 28 Cb 0.39 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1a90 h ALA 28 CO 0.03 -0.06 0.61 0.97 0.00 0.00 0.00 179.25 180.80 1a90 h ILE 29 N -0.28 1.01 -0.85 0.00 6.09 -0.83 0.68 117.51 123.34 1a90 h ILE 29 Ca 0.01 -0.36 0.08 0.00 -1.37 0.00 0.00 64.86 63.21 1a90 h ILE 29 Cb 0.62 -0.14 -0.06 0.00 0.47 0.00 0.00 36.82 37.71 1a90 h ILE 29 CO 0.02 0.19 0.55 0.00 -3.07 0.00 0.00 178.15 175.85 1a90 h ALA 30 N 1.48 1.61 0.00 0.18 0.00 -1.27 0.40 119.26 121.66 1a90 h ALA 30 Ca 0.45 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1a90 h ALA 30 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1a90 h ALA 30 CO -0.21 0.24 -0.40 0.93 0.00 0.00 0.00 179.25 179.81 1a90 h GLU 31 N 0.90 0.00 0.02 0.00 4.39 0.69 -2.35 114.58 118.22 1a90 h GLU 31 Ca 0.37 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 1a90 h GLU 31 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1a90 h GLU 31 CO -0.14 0.40 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.18 1a90 h TYR 32 N 0.00 -0.02 0.05 4.33 5.03 0.19 0.62 116.97 127.18 1a90 h TYR 32 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1a90 h TYR 32 Cb 0.78 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1a90 h TYR 32 CO 0.00 0.18 -0.06 -0.97 -1.32 0.00 0.00 178.16 175.99 1a90 h ASN 33 N -0.22 -0.16 0.75 -2.11 -0.73 -1.26 -0.76 115.58 111.11 1a90 h ASN 33 Ca -0.00 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1a90 h ASN 33 Cb 0.21 0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.86 1a90 h ASN 33 CO 0.00 -0.09 0.00 -2.11 -0.37 0.00 0.00 177.43 174.86 1a90 n ARG 34 N -5.17 0.18 0.11 6.67 -4.01 -0.90 -2.06 116.66 111.48 1a90 n ARG 34 Ca -0.07 0.39 0.13 0.00 -1.04 0.00 0.00 57.85 57.26 1a90 n ARG 34 Cb 0.10 -1.83 0.35 0.00 -3.04 0.00 0.00 32.46 28.04 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1a90 h ALA 35 N 2.31 0.93 0.00 2.89 0.00 0.17 -3.36 119.26 122.21 1a90 h ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a90 h ALA 35 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a90 h ALA 35 CO 0.00 0.00 -0.19 1.03 0.00 0.00 0.00 179.25 180.09 1a90 h SER 36 N 0.00 0.00 0.00 0.00 0.87 -0.89 -3.48 113.55 110.05 1a90 h SER 36 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1a90 h SER 36 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1a90 h SER 36 CO 0.00 0.37 0.00 0.59 -0.53 0.00 0.00 176.83 177.26 1a90 n ASN 37 N -3.52 0.00 0.00 6.23 4.13 -1.23 -4.93 115.26 115.94 1a90 n ASN 37 Ca -0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1a90 n ASN 37 Cb 0.10 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1a90 n ASP 38 N 0.00 0.00 0.19 6.41 -0.08 -1.26 -5.03 116.55 116.78 1a90 n ASP 38 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1a90 n ASP 38 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1a90 n ASP 38 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1a90 n LYS 39 N 0.00 0.00 0.00 -0.67 5.02 -1.26 -5.13 118.16 116.12 1a90 n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a90 n LYS 39 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a90 n LYS 39 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1a90 n TYR 40 N -3.25 -0.53 -4.17 2.13 0.18 -1.24 -4.59 117.16 105.68 1a90 n TYR 40 Ca 0.00 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.60 1a90 n TYR 40 Cb 0.00 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.84 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 -1.41 1.64 -0.18 9.48 0.01 -1.11 -4.87 113.70 117.27 1a90 s SER 41 Ca 0.00 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.60 1a90 s SER 41 Cb 0.00 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 1a90 s SER 41 CO 0.00 -0.08 0.01 -0.44 0.41 0.00 0.00 173.24 173.14 1a90 s SER 42 N -1.72 5.09 0.02 2.44 0.01 -1.26 -0.43 113.70 117.85 1a90 s SER 42 Ca -0.02 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.17 1a90 s SER 42 Cb -0.10 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 1a90 s SER 42 CO 0.02 0.13 -0.06 -0.13 0.41 0.00 0.00 173.24 173.62 1a90 s ARG 43 N 0.59 0.43 0.89 12.44 0.52 -0.93 -4.63 118.95 128.25 1a90 s ARG 43 Ca 0.00 -0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 54.63 1a90 s ARG 43 Cb -0.14 -0.27 0.14 0.00 0.52 0.00 0.00 34.95 35.20 1a90 s ARG 43 CO 0.02 0.06 0.28 1.55 0.02 0.00 0.00 175.30 177.22 1a90 n VAL 44 N 2.13 0.00 0.00 3.52 3.14 -1.26 0.11 118.33 125.97 1a90 n VAL 44 Ca -0.19 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1a90 n VAL 44 Cb 0.56 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 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 -4.08 0.00 -3.69 1.55 0.31 -1.26 -3.83 118.33 107.33 1a90 n VAL 45 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 1a90 n VAL 45 Cb 0.25 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.06 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 -0.46 1.43 1.02 5.55 0.52 -1.26 -5.03 118.95 120.72 1a90 s ARG 46 Ca 0.00 -2.27 -0.23 0.00 -0.52 0.00 0.00 55.73 52.71 1a90 s ARG 46 Cb 0.00 -2.37 -0.12 0.00 0.52 0.00 0.00 34.95 32.99 1a90 s ARG 46 CO 0.00 -1.22 -0.98 1.55 0.02 0.00 0.00 175.30 174.66 1a90 n VAL 47 N 3.13 0.00 0.05 3.52 3.14 -1.26 -3.95 118.33 122.97 1a90 n VAL 47 Ca 0.14 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1a90 n VAL 47 Cb 0.37 -0.15 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 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 -3.45 0.00 -3.65 1.55 5.41 -0.14 -4.87 119.36 114.21 1a90 n ILE 48 Ca -0.01 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.46 1a90 n ILE 48 Cb 0.68 -0.46 -0.12 0.00 -0.71 0.00 0.00 39.64 39.03 1a90 n ILE 48 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1a90 s SER 49 N -4.76 3.25 -0.50 4.38 0.15 -1.21 -4.93 113.70 110.08 1a90 s SER 49 Ca 0.00 -2.99 -0.11 0.00 0.70 0.00 0.00 55.95 53.54 1a90 s SER 49 Cb 0.00 -0.96 0.12 0.00 -1.71 0.00 0.00 66.02 63.48 1a90 s SER 49 CO 0.00 -0.20 0.40 0.00 1.20 0.00 0.00 173.24 174.64 1a90 s ALA 50 N -0.08 3.48 0.09 5.45 0.00 -1.25 -2.17 121.76 127.29 1a90 s ALA 50 Ca 0.24 -2.56 -0.00 0.00 0.00 0.00 0.00 51.96 49.64 1a90 s ALA 50 Cb -0.12 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1a90 s ALA 50 CO -0.09 -1.95 -0.01 0.15 0.00 0.00 0.00 175.76 173.86 1a90 s LYS 51 N 1.40 0.79 -0.51 0.00 1.02 -0.53 -3.05 119.74 118.85 1a90 s LYS 51 Ca 0.05 -1.33 0.03 0.00 0.02 0.00 0.00 55.97 54.74 1a90 s LYS 51 Cb -0.27 0.09 0.15 0.00 -0.52 0.00 0.00 37.83 37.27 1a90 s LYS 51 CO 0.00 -0.13 0.32 1.03 -0.92 0.00 0.00 175.35 175.65 1a90 s ARG 52 N -3.94 1.59 0.62 1.68 0.52 -0.55 -1.11 118.95 117.76 1a90 s ARG 52 Ca 0.14 -2.43 -0.17 0.00 -0.52 0.00 0.00 55.73 52.75 1a90 s ARG 52 Cb 0.07 -2.55 -0.10 0.00 0.52 0.00 0.00 34.95 32.89 1a90 s ARG 52 CO -0.04 -1.23 0.21 1.04 0.02 0.00 0.00 175.30 175.30 1a90 n GLN 53 N 2.98 0.25 -3.84 3.54 3.00 0.19 -3.48 117.38 120.02 1a90 n GLN 53 Ca 0.15 0.10 -0.29 0.00 -0.01 0.00 0.00 57.00 56.95 1a90 n GLN 53 Cb 0.37 -1.44 -0.13 0.00 0.00 0.00 0.00 30.24 29.04 1a90 n GLN 53 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1a90 s LEU 54 N 2.49 4.09 0.00 1.08 2.96 -1.25 -1.70 118.68 126.35 1a90 s LEU 54 Ca 0.62 -3.40 0.00 0.00 -0.22 0.00 0.00 54.13 51.13 1a90 s LEU 54 Cb -0.42 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1a90 s LEU 54 CO 0.61 -0.16 0.00 0.55 -1.32 0.00 0.00 176.35 176.04 1a90 n VAL 55 N 2.56 0.00 -0.62 1.68 3.14 -1.26 -2.75 118.33 121.08 1a90 n VAL 55 Ca 0.15 0.00 0.49 0.00 -2.96 0.00 0.00 64.34 62.02 1a90 n VAL 55 Cb 0.35 -0.05 0.80 0.00 -1.06 0.00 0.00 33.84 33.88 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 -5.46 6.55 4.64 -2.02 -3.39 113.55 113.88 1a90 h SER 56 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1a90 h SER 56 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1a90 h SER 56 CO 0.00 0.00 -0.45 -0.83 -0.87 0.00 0.00 176.83 174.68 1a90 s GLY 57 N -3.86 1.08 0.08 -0.77 0.00 -1.26 -5.00 107.32 97.59 1a90 s GLY 57 Ca -0.05 -1.39 -0.15 0.00 0.00 0.00 0.00 44.72 43.14 1a90 s GLY 57 CO 0.86 -1.13 0.49 -0.42 0.00 0.00 0.00 173.10 172.90 1a90 s ILE 58 N -4.10 4.91 -0.11 0.90 1.09 -0.93 -4.50 121.20 118.46 1a90 s ILE 58 Ca 0.32 0.86 -0.01 0.00 -1.10 0.00 0.00 60.65 60.72 1a90 s ILE 58 Cb 0.04 -3.75 -0.02 0.00 -1.06 0.00 0.00 42.46 37.67 1a90 s ILE 58 CO 0.10 0.41 -0.09 -0.54 -0.10 0.00 0.00 174.94 174.72 1a90 s LYS 59 N -1.52 3.22 -0.52 2.79 1.02 -0.69 -1.30 119.74 122.74 1a90 s LYS 59 Ca 0.31 -0.60 -0.10 0.00 0.02 0.00 0.00 55.97 55.61 1a90 s LYS 59 Cb -0.16 -2.68 0.13 0.00 -0.52 0.00 0.00 37.83 34.60 1a90 s LYS 59 CO 0.17 0.38 0.40 0.71 -0.92 0.00 0.00 175.35 176.10 1a90 s TYR 60 N -0.06 3.44 -0.30 3.18 1.51 0.19 0.57 117.35 125.90 1a90 s TYR 60 Ca -0.01 -1.92 -0.16 0.00 -1.01 0.00 0.00 57.07 53.98 1a90 s TYR 60 Cb -0.14 -3.52 -0.03 0.00 -0.11 0.00 0.00 41.96 38.16 1a90 s TYR 60 CO 0.03 -0.98 0.41 0.42 -1.11 0.00 0.00 175.55 174.31 1a90 s ILE 61 N 1.14 5.14 0.18 2.71 -1.09 -0.27 -1.37 121.20 127.64 1a90 s ILE 61 Ca 0.08 0.46 0.11 0.00 -2.23 0.00 0.00 60.65 59.06 1a90 s ILE 61 Cb -0.25 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1a90 s ILE 61 CO -0.01 0.04 -0.24 -0.22 -1.23 0.00 0.00 174.94 173.28 1a90 s LEU 62 N 2.13 2.41 -0.05 2.97 0.20 0.36 -1.46 118.68 125.25 1a90 s LEU 62 Ca 0.15 -0.84 -0.11 0.00 0.69 0.00 0.00 54.13 54.02 1a90 s LEU 62 Cb -0.16 -1.16 0.02 0.00 -0.43 0.00 0.00 46.19 44.47 1a90 s LEU 62 CO 0.11 0.12 0.27 -1.10 -0.29 0.00 0.00 176.35 175.46 1a90 s GLN 63 N -2.56 0.49 -0.22 1.98 1.11 -0.92 -1.29 119.66 118.25 1a90 s GLN 63 Ca 0.19 0.04 -0.27 0.00 0.01 0.00 0.00 55.36 55.33 1a90 s GLN 63 Cb -0.08 0.22 0.12 0.00 -1.01 0.00 0.00 33.01 32.26 1a90 s GLN 63 CO 0.09 -0.11 0.99 0.14 0.01 0.00 0.00 175.29 176.41 1a90 s VAL 64 N -0.68 0.00 -1.38 1.09 -7.23 -0.87 -0.97 120.40 110.36 1a90 s VAL 64 Ca -0.08 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.97 1a90 s VAL 64 Cb -0.04 -1.00 0.10 0.00 0.56 0.00 0.00 36.38 35.99 1a90 s VAL 64 CO 0.02 0.00 2.06 -0.62 -0.31 0.00 0.00 175.10 176.25 1a90 n GLU 65 N 1.63 3.19 -0.07 4.82 1.02 -1.23 -1.70 120.64 128.29 1a90 n GLU 65 Ca -0.12 -3.02 -0.02 0.00 -0.02 0.00 0.00 57.16 53.97 1a90 n GLU 65 Cb 0.57 -3.14 -0.00 0.00 -0.02 0.00 0.00 31.44 28.85 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 4.37 0.03 -3.03 -3.67 2.08 0.47 -3.59 119.36 116.02 1a90 n ILE 66 Ca 0.47 -0.03 -0.17 0.00 0.56 0.00 0.00 62.75 63.58 1a90 n ILE 66 Cb 0.38 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.28 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 -0.05 1.95 0.01 7.39 0.00 0.31 -2.13 107.32 114.79 1a90 s GLY 67 Ca 0.03 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 42.78 1a90 s GLY 67 CO 0.03 -1.50 0.74 0.50 0.00 0.00 0.00 173.10 172.87 1a90 s ARG 68 N -4.35 1.02 -0.37 2.90 0.52 -1.26 -2.20 118.95 115.20 1a90 s ARG 68 Ca 0.55 -0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.71 1a90 s ARG 68 Cb -0.10 0.47 0.16 0.00 0.52 0.00 0.00 34.95 36.00 1a90 s ARG 68 CO 0.33 -0.38 0.39 0.95 0.02 0.00 0.00 175.30 176.60 1a90 s THR 69 N -2.30 -0.35 0.00 0.02 -4.23 0.43 0.97 115.64 110.19 1a90 s THR 69 Ca -0.03 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1a90 s THR 69 Cb -0.01 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1a90 s THR 69 CO -0.02 -0.57 0.06 1.07 -0.54 0.00 0.00 174.62 174.62 1a90 n THR 70 N 4.22 0.00 -0.71 3.99 5.66 0.08 -2.75 114.28 124.77 1a90 n THR 70 Ca 0.11 0.36 -0.14 0.00 -3.05 0.00 0.00 64.05 61.34 1a90 n THR 70 Cb 0.45 -0.67 -0.09 0.00 -1.55 0.00 0.00 70.33 68.47 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 3.17 -1.36 0.00 0.00 -0.04 -1.26 -4.71 135.00 130.81 1a90 n PRO 72 Ca 0.32 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1a90 n PRO 72 Cb 0.04 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -2.69 0.00 0.00 0.54 3.00 -1.26 -4.94 118.16 112.81 1a90 n LYS 73 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1a90 n LYS 73 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.29 1a90 n LYS 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1a90 n SER 74 N 0.00 0.00 0.00 3.14 3.41 -1.26 -5.08 113.62 113.83 1a90 n SER 74 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a90 n SER 74 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a90 n SER 74 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a90 n SER 75 N 0.00 0.00 0.00 4.04 3.41 -1.26 -5.07 113.62 114.74 1a90 n SER 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a90 n SER 75 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a90 n GLY 76 N 1.06 0.70 0.01 5.00 0.00 -1.26 -5.02 105.19 105.67 1a90 n GLY 76 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 0.85 0.00 1.61 9.92 -1.26 -4.82 116.55 122.85 1a90 n ASP 77 Ca 0.00 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 1a90 n ASP 77 Cb 0.00 0.99 0.00 0.00 -0.64 0.00 0.00 41.12 41.47 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1a90 n LEU 78 N -1.39 0.00 -4.13 0.64 7.99 -1.26 -5.06 117.00 113.79 1a90 n LEU 78 Ca 0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.68 1a90 n LEU 78 Cb 0.28 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.65 1a90 n LEU 78 CO 0.35 -0.30 -0.96 0.00 -1.51 0.00 0.00 177.39 174.97 1a90 n GLN 79 N -1.91 -0.09 -0.44 3.23 1.13 -1.26 -4.78 117.38 113.27 1a90 n GLN 79 Ca 0.00 -0.01 -0.04 0.00 -1.94 0.00 0.00 57.00 55.01 1a90 n GLN 79 Cb 0.00 -1.26 0.12 0.00 0.11 0.00 0.00 30.24 29.20 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 2.03 3.14 -4.67 1.08 7.64 -1.26 -4.94 113.62 116.63 1a90 n SER 80 Ca 0.01 -2.53 -0.58 0.00 1.01 0.00 0.00 58.87 56.78 1a90 n SER 80 Cb 0.55 -0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 63.07 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 2.39 1.71 0.11 0.00 2.12 -1.26 -4.90 118.70 118.87 1a90 s GLU 82 Ca 0.96 -1.06 -0.12 0.00 0.36 0.00 0.00 54.97 55.10 1a90 s GLU 82 Cb -1.14 0.50 0.06 0.00 0.26 0.00 0.00 34.13 33.82 1a90 s GLU 82 CO 0.63 -0.80 0.81 1.19 -0.54 0.00 0.00 175.26 176.56 1a90 n PHE 83 N -0.57 -0.08 -2.66 5.30 3.72 0.27 -0.75 117.46 122.69 1a90 n PHE 83 Ca -0.06 0.65 -0.04 0.00 -0.05 0.00 0.00 57.45 57.95 1a90 n PHE 83 Cb 0.60 -0.63 0.09 0.00 -0.94 0.00 0.00 39.48 38.59 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 -4.73 -1.79 -3.71 1.38 8.25 -1.26 -3.37 115.22 110.00 1a90 n HIS 84 Ca 0.04 -1.48 -0.28 0.00 -0.26 0.00 0.00 57.72 55.74 1a90 n HIS 84 Cb 0.18 1.43 0.03 0.00 1.12 0.00 0.00 29.99 32.75 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 -0.86 -5.18 0.00 0.41 9.92 -1.24 -4.82 116.55 114.78 1a90 n ASP 85 Ca -0.11 -0.64 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 1a90 n ASP 85 Cb 0.80 -4.13 0.00 0.00 -0.64 0.00 0.00 41.12 37.14 1a90 n ASP 85 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1a90 n GLU 86 N -4.59 0.00 0.05 -1.24 0.28 -1.26 -5.00 120.64 108.88 1a90 n GLU 86 Ca 0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.81 1a90 n GLU 86 Cb 0.54 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.28 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 0.48 0.00 3.44 0.13 -1.90 -2.05 132.00 132.09 1a90 h PRO 87 Ca 0.00 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1a90 h PRO 87 Cb 0.00 0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.34 1a90 h PRO 87 CO 0.00 1.26 0.19 1.49 -0.23 0.00 0.00 178.00 180.71 1a90 h GLU 88 N -0.00 0.00 -0.14 0.86 4.81 -1.96 -2.19 114.58 115.96 1a90 h GLU 88 Ca -0.14 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.90 1a90 h GLU 88 Cb 1.66 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.72 1a90 h GLU 88 CO 0.18 0.00 -0.85 1.28 -0.73 0.00 0.00 179.01 178.89 1a90 n LEU 89 N -2.24 0.56 -3.09 1.64 4.77 -1.21 -4.92 117.00 112.50 1a90 n LEU 89 Ca -0.01 -2.50 -0.22 0.00 -0.03 0.00 0.00 56.01 53.24 1a90 n LEU 89 Cb 0.22 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1a90 n LEU 89 CO 0.08 0.99 -0.06 0.00 -1.33 0.00 0.00 177.39 177.07 1a90 n ALA 90 N -0.22 3.22 -1.00 -1.18 0.00 -0.78 -4.04 120.51 116.52 1a90 n ALA 90 Ca -0.02 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.42 1a90 n ALA 90 Cb 0.93 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 0.13 -0.46 -4.11 0.00 5.02 -1.26 -4.88 118.16 112.60 1a90 n LYS 91 Ca 0.28 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.42 1a90 n LYS 91 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.49 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 -0.59 1.06 0.03 2.13 1.51 -1.26 -4.79 117.35 115.44 1a90 s TYR 92 Ca 0.00 -1.27 0.04 0.00 -1.01 0.00 0.00 57.07 54.83 1a90 s TYR 92 Cb 0.00 -0.18 -0.02 0.00 -0.11 0.00 0.00 41.96 41.65 1a90 s TYR 92 CO 0.00 -1.02 -0.11 -0.08 -1.11 0.00 0.00 175.55 173.23 1a90 s THR 93 N -3.39 0.87 -0.52 -0.71 -1.32 -0.91 -4.86 115.64 104.79 1a90 s THR 93 Ca 0.32 -0.92 -0.22 0.00 -1.21 0.00 0.00 61.69 59.66 1a90 s THR 93 Cb 0.01 -0.82 0.05 0.00 -1.51 0.00 0.00 72.50 70.23 1a90 s THR 93 CO 0.18 -0.08 0.79 -0.89 -2.21 0.00 0.00 174.62 172.41 1a90 s THR 94 N -0.89 4.62 0.16 5.08 2.01 -1.26 0.18 115.64 125.53 1a90 s THR 94 Ca -0.01 -0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.07 1a90 s THR 94 Cb -0.08 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 1a90 s THR 94 CO 0.01 -0.94 -0.19 0.00 -0.69 0.00 0.00 174.62 172.81 1a90 s THR 96 N -1.44 1.34 -0.10 0.00 2.01 -0.66 -2.06 115.64 114.73 1a90 s THR 96 Ca 0.20 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1a90 s THR 96 Cb -0.09 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1a90 s THR 96 CO 0.11 0.39 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.92 1a90 s PHE 97 N -0.07 2.76 -0.29 4.92 0.08 -0.41 -1.88 117.98 123.08 1a90 s PHE 97 Ca -0.01 -0.54 0.03 0.00 0.12 0.00 0.00 56.93 56.53 1a90 s PHE 97 Cb -0.10 -1.77 0.08 0.00 -0.57 0.00 0.00 43.02 40.66 1a90 s PHE 97 CO 0.01 -0.12 -0.02 0.08 -0.10 0.00 0.00 175.22 175.07 1a90 s VAL 98 N 0.05 2.02 -0.18 -0.44 1.01 -0.82 -0.49 120.40 121.56 1a90 s VAL 98 Ca -0.05 -1.85 -0.01 0.00 0.00 0.00 0.00 61.98 60.07 1a90 s VAL 98 Cb -0.15 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1a90 s VAL 98 CO 0.04 -0.32 -0.11 -0.69 0.00 0.00 0.00 175.10 174.02 1a90 s VAL 99 N 1.10 2.91 -0.08 2.92 1.01 -0.47 -0.88 120.40 126.91 1a90 s VAL 99 Ca 0.01 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1a90 s VAL 99 Cb -0.19 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1a90 s VAL 99 CO -0.08 0.49 0.44 -0.47 0.00 0.00 0.00 175.10 175.48 1a90 s TYR 100 N 1.04 3.58 -0.14 5.22 5.04 -0.77 0.58 117.35 131.90 1a90 s TYR 100 Ca -0.01 0.90 -0.01 0.00 -2.44 0.00 0.00 57.07 55.52 1a90 s TYR 100 Cb -0.15 -2.45 0.03 0.00 0.35 0.00 0.00 41.96 39.75 1a90 s TYR 100 CO -0.02 0.33 -0.06 0.45 -1.34 0.00 0.00 175.55 174.90 1a90 s SER 101 N 0.06 2.50 -0.47 4.32 0.15 -0.42 -1.76 113.70 118.09 1a90 s SER 101 Ca 0.24 -0.48 -0.15 0.00 0.70 0.00 0.00 55.95 56.26 1a90 s SER 101 Cb -0.15 -0.87 0.07 0.00 -1.71 0.00 0.00 66.02 63.36 1a90 s SER 101 CO 0.11 -0.15 0.38 -0.63 1.20 0.00 0.00 173.24 174.14 1a90 s ILE 102 N 1.68 5.10 0.02 6.45 1.01 -0.73 -2.18 121.20 132.56 1a90 s ILE 102 Ca 0.03 -1.12 -0.26 0.00 0.00 0.00 0.00 60.65 59.30 1a90 s ILE 102 Cb -0.14 -4.06 -0.17 0.00 0.01 0.00 0.00 42.46 38.10 1a90 s ILE 102 CO -0.08 -0.57 1.37 1.55 0.00 0.00 0.00 174.94 177.20 1a90 h PRO 103 N 8.71 -0.32 0.00 2.79 0.13 -1.94 0.48 132.00 141.85 1a90 h PRO 103 Ca -0.28 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1a90 h PRO 103 Cb 1.11 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1a90 h PRO 103 CO 0.87 -0.03 0.11 -2.67 -0.23 0.00 0.00 178.00 176.04 1a90 n TRP 104 N -5.12 0.21 -1.16 1.56 2.14 -1.26 -1.67 117.44 112.14 1a90 n TRP 104 Ca -0.09 0.11 0.01 0.00 2.07 0.00 0.00 57.50 59.59 1a90 n TRP 104 Cb 0.23 -0.58 0.01 0.00 -0.81 0.00 0.00 31.31 30.16 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 -1.67 0.43 -3.91 5.67 -0.00 -1.11 -5.02 117.00 111.39 1a90 n LEU 105 Ca -0.00 -0.77 -0.29 0.00 -0.00 0.00 0.00 56.01 54.95 1a90 n LEU 105 Cb 0.12 -0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.47 1a90 n LEU 105 CO 0.03 0.19 -0.24 -3.20 -0.00 0.00 0.00 177.39 174.16 1a90 n ASN 106 N -0.17 -1.07 -4.08 1.96 2.85 0.16 -4.87 115.26 110.04 1a90 n ASN 106 Ca 0.01 -0.95 -0.34 0.00 -0.11 0.00 0.00 54.58 53.20 1a90 n ASN 106 Cb 0.53 -1.16 -0.13 0.00 1.24 0.00 0.00 39.78 40.26 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 -6.51 1.80 -0.06 1.20 2.00 -0.51 -4.95 119.66 112.64 1a90 s GLN 107 Ca 0.18 -1.79 -0.04 0.00 -2.00 0.00 0.00 55.36 51.71 1a90 s GLN 107 Cb -0.10 -3.35 -0.04 0.00 0.80 0.00 0.00 33.01 30.32 1a90 s GLN 107 CO 0.72 -0.96 0.16 -1.50 -0.50 0.00 0.00 175.29 173.21 1a90 s ILE 108 N 1.04 5.42 -0.21 -2.34 2.07 -1.26 -1.77 121.20 124.15 1a90 s ILE 108 Ca 0.08 -0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.15 1a90 s ILE 108 Cb -0.21 -3.45 0.06 0.00 0.13 0.00 0.00 42.46 38.99 1a90 s ILE 108 CO -0.06 0.45 0.52 -0.75 -1.91 0.00 0.00 174.94 173.20 1a90 s LYS 109 N -1.54 0.56 0.87 3.50 2.20 -0.72 -5.02 119.74 119.59 1a90 s LYS 109 Ca 0.22 0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 56.57 1a90 s LYS 109 Cb -0.12 0.15 0.11 0.00 -1.51 0.00 0.00 37.83 36.46 1a90 s LYS 109 CO 0.12 -0.12 1.10 -1.17 -0.36 0.00 0.00 175.35 174.92 1a90 s LEU 110 N 0.96 2.35 0.00 5.43 2.96 -1.26 -1.84 118.68 127.27 1a90 s LEU 110 Ca -0.05 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.26 1a90 s LEU 110 Cb -0.06 -3.88 0.00 0.00 0.50 0.00 0.00 46.19 42.76 1a90 s LEU 110 CO -0.08 -2.42 0.00 0.18 -1.32 0.00 0.00 176.35 172.70 1a90 n LEU 111 N -3.74 0.00 -3.80 -0.68 4.77 -0.06 -4.81 117.00 108.68 1a90 n LEU 111 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1a90 n LEU 111 Cb 0.56 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1a90 n LEU 111 CO 0.56 0.00 1.68 -0.62 -1.33 0.00 0.00 177.39 177.68 1a90 n GLU 112 N -0.48 4.40 -3.42 3.23 1.02 -1.16 -4.87 120.64 119.36 1a90 n GLU 112 Ca 0.00 -4.05 -0.44 0.00 -0.02 0.00 0.00 57.16 52.65 1a90 n GLU 112 Cb 0.00 -2.66 -0.05 0.00 -0.02 0.00 0.00 31.44 28.72 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1a90 s SER 113 N -0.49 6.25 0.06 1.62 1.04 -1.25 -1.93 113.70 118.99 1a90 s SER 113 Ca 0.39 -2.41 -0.12 0.00 0.48 0.00 0.00 55.95 54.29 1a90 s SER 113 Cb 0.11 -2.13 0.01 0.00 0.10 0.00 0.00 66.02 64.12 1a90 s SER 113 CO -0.00 -0.62 0.27 -1.59 0.98 0.00 0.00 173.24 172.28 1a90 s LYS 114 N 0.62 0.83 0.11 4.02 -2.85 -0.79 -5.00 119.74 116.68 1a90 s LYS 114 Ca 0.13 -0.65 0.08 0.00 -1.00 0.00 0.00 55.97 54.53 1a90 s LYS 114 Cb -0.18 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 35.90 1a90 s LYS 114 CO -0.04 -0.27 -0.20 0.00 0.10 0.00 0.00 175.35 174.94