#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 -1.77 -1.95 4.61 0.00 -1.26 -4.94 120.51 115.21 1a90 n ALA 10 Ca 0.00 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.56 1a90 n ALA 10 Cb 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 -3.32 3.04 -0.62 0.00 0.04 -1.26 -4.53 135.00 128.35 1a90 s PRO 11 Ca 0.00 0.39 -0.09 0.00 0.04 0.00 0.00 61.00 61.34 1a90 s PRO 11 Cb 0.00 -2.11 0.16 0.00 0.04 0.00 0.00 34.50 32.59 1a90 s PRO 11 CO 0.00 -0.83 0.51 0.08 0.04 0.00 0.00 177.00 176.80 1a90 s VAL 12 N -3.21 4.55 0.63 -0.36 1.01 -1.16 -4.95 120.40 116.91 1a90 s VAL 12 Ca 0.56 -2.30 -0.16 0.00 0.00 0.00 0.00 61.98 60.08 1a90 s VAL 12 Cb -0.11 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1a90 s VAL 12 CO 0.50 -0.89 1.09 -2.16 0.00 0.00 0.00 175.10 173.65 1a90 s PRO 13 N 0.62 3.01 0.24 2.72 0.04 -1.26 -1.44 135.00 138.93 1a90 s PRO 13 Ca 0.12 1.34 0.05 0.00 0.04 0.00 0.00 61.00 62.56 1a90 s PRO 13 Cb -0.20 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1a90 s PRO 13 CO -0.04 -1.08 0.35 0.08 0.04 0.00 0.00 177.00 176.36 1a90 s VAL 14 N -2.34 5.23 0.31 -0.36 1.01 -1.25 -4.89 120.40 118.12 1a90 s VAL 14 Ca 0.66 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 1a90 s VAL 14 Cb -0.19 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1a90 s VAL 14 CO 0.39 -0.33 0.64 -1.81 0.00 0.00 0.00 175.10 173.99 1a90 s ASP 15 N -3.97 0.02 -1.05 3.32 1.11 -1.26 -4.89 116.67 109.96 1a90 s ASP 15 Ca 0.34 -0.97 0.00 0.00 0.18 0.00 0.00 52.55 52.10 1a90 s ASP 15 Cb -0.09 0.71 0.00 0.00 1.07 0.00 0.00 42.92 44.61 1a90 s ASP 15 CO 0.29 -1.38 0.00 1.21 1.18 0.00 0.00 175.17 176.47 1a90 n GLU 16 N -0.47 -1.50 0.00 8.23 2.13 -1.26 -1.51 120.64 126.25 1a90 n GLU 16 Ca -0.04 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1a90 n GLU 16 Cb 0.60 -4.81 0.00 0.00 0.27 0.00 0.00 31.44 27.51 1a90 n GLU 16 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1a90 n ASN 17 N -0.30 0.00 -3.16 4.31 5.03 -1.26 -4.74 115.26 115.14 1a90 n ASN 17 Ca -0.10 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.30 1a90 n ASN 17 Cb 0.42 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.18 1a90 n ASN 17 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1a90 n ASP 18 N 1.32 -6.67 -0.64 6.41 9.92 -0.57 -3.84 116.55 122.48 1a90 n ASP 18 Ca 0.00 0.48 0.49 0.00 -0.53 0.00 0.00 54.79 55.23 1a90 n ASP 18 Cb 0.00 -2.23 0.76 0.00 -0.64 0.00 0.00 41.12 39.01 1a90 n ASP 18 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1a90 n GLU 19 N 0.97 0.00 0.15 -1.24 0.28 -1.26 0.11 120.64 119.65 1a90 n GLU 19 Ca -0.01 1.05 -0.13 0.00 -0.16 0.00 0.00 57.16 57.91 1a90 n GLU 19 Cb 0.45 -2.45 -0.08 0.00 1.43 0.00 0.00 31.44 30.79 1a90 n GLU 19 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1a90 h GLY 20 N 0.00 -0.40 0.58 -1.84 0.00 -2.00 -2.03 103.07 97.38 1a90 h GLY 20 Ca 0.87 0.15 0.13 0.00 0.00 0.00 0.00 47.33 48.48 1a90 h GLY 20 CO -0.01 -0.14 0.57 -2.00 0.00 0.00 0.00 176.54 174.96 1a90 h LEU 21 N -0.67 0.68 -1.33 3.11 7.12 0.58 0.23 115.31 125.03 1a90 h LEU 21 Ca -0.04 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 1a90 h LEU 21 Cb 0.47 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.48 1a90 h LEU 21 CO 0.06 0.36 0.01 1.56 -0.13 0.00 0.00 178.44 180.30 1a90 h GLN 22 N 0.73 0.46 0.00 1.25 4.20 -1.12 0.52 115.11 121.15 1a90 h GLN 22 Ca 0.44 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1a90 h GLN 22 Cb 0.65 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1a90 h GLN 22 CO -0.20 0.48 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 1a90 h ARG 23 N 0.45 0.00 0.00 1.46 3.08 0.16 -0.37 114.38 119.15 1a90 h ARG 23 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1a90 h ARG 23 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1a90 h ARG 23 CO 0.01 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1a90 h ALA 24 N 2.08 0.00 -0.23 0.04 0.00 -0.26 -2.17 119.26 118.72 1a90 h ALA 24 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1a90 h ALA 24 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1a90 h ALA 24 CO 0.00 0.00 -0.16 1.25 0.00 0.00 0.00 179.25 180.34 1a90 h LEU 25 N -1.00 0.38 -0.87 0.00 6.46 -1.34 -1.87 115.31 117.06 1a90 h LEU 25 Ca -0.00 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 1a90 h LEU 25 Cb 0.41 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1a90 h LEU 25 CO -0.00 0.56 -0.17 -0.61 -0.62 0.00 0.00 178.44 177.61 1a90 h GLN 26 N 0.36 0.00 0.17 1.25 -0.00 -1.17 0.69 115.11 116.42 1a90 h GLN 26 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 1a90 h GLN 26 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.98 1a90 h GLN 26 CO 0.03 0.17 -0.08 0.35 0.00 0.00 0.00 178.83 179.30 1a90 h PHE 27 N 0.00 -0.21 -0.11 3.99 3.04 -0.66 -1.70 116.94 121.29 1a90 h PHE 27 Ca -0.00 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1a90 h PHE 27 Cb 0.81 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.39 1a90 h PHE 27 CO 0.00 0.09 -0.18 0.00 -2.02 0.00 0.00 178.31 176.20 1a90 h ALA 28 N -0.70 0.16 -0.89 2.41 0.00 -1.55 -2.72 119.26 115.96 1a90 h ALA 28 Ca -0.02 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1a90 h ALA 28 Cb 0.40 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1a90 h ALA 28 CO 0.04 0.08 0.58 0.97 0.00 0.00 0.00 179.25 180.93 1a90 h ILE 29 N -0.12 1.09 -0.77 0.00 6.09 0.11 0.38 117.51 124.29 1a90 h ILE 29 Ca 0.01 -0.36 0.06 0.00 -1.37 0.00 0.00 64.86 63.20 1a90 h ILE 29 Cb 0.75 -0.04 -0.05 0.00 0.47 0.00 0.00 36.82 37.95 1a90 h ILE 29 CO 0.04 0.19 0.50 0.00 -3.07 0.00 0.00 178.15 175.81 1a90 h ALA 30 N 1.51 1.64 0.00 0.18 0.00 -1.18 0.26 119.26 121.67 1a90 h ALA 30 Ca 0.38 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1a90 h ALA 30 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1a90 h ALA 30 CO -0.13 0.25 -0.32 0.93 0.00 0.00 0.00 179.25 179.97 1a90 h GLU 31 N 0.84 0.00 -0.14 0.00 4.39 -0.00 -2.53 114.58 117.14 1a90 h GLU 31 Ca 0.33 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.94 1a90 h GLU 31 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1a90 h GLU 31 CO -0.11 0.32 -0.26 -0.92 -1.16 0.00 0.00 179.01 176.88 1a90 h TYR 32 N 0.00 0.53 -0.33 4.33 3.20 0.90 -1.62 116.97 123.97 1a90 h TYR 32 Ca -0.00 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1a90 h TYR 32 Cb 0.85 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1a90 h TYR 32 CO 0.00 0.88 0.22 -0.97 -1.64 0.00 0.00 178.16 176.65 1a90 h ASN 33 N 0.02 0.39 0.74 -2.11 -0.73 -1.20 -0.78 115.58 111.91 1a90 h ASN 33 Ca 0.01 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1a90 h ASN 33 Cb 0.85 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1a90 h ASN 33 CO 0.06 0.29 0.00 -1.14 -0.37 0.00 0.00 177.43 176.27 1a90 n ARG 34 N -4.85 0.20 0.05 6.67 0.63 -0.96 -2.20 116.66 116.20 1a90 n ARG 34 Ca -0.01 0.42 0.12 0.00 -0.92 0.00 0.00 57.85 57.46 1a90 n ARG 34 Cb 0.03 -1.87 0.20 0.00 0.45 0.00 0.00 32.46 31.27 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a90 n ALA 35 N -1.78 2.98 0.27 5.13 0.00 -0.35 -3.90 120.51 122.87 1a90 n ALA 35 Ca 0.02 -0.25 0.18 0.00 0.00 0.00 0.00 53.44 53.39 1a90 n ALA 35 Cb 0.23 -1.18 0.93 0.00 0.00 0.00 0.00 19.45 19.44 1a90 n ALA 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1a90 h SER 36 N 0.00 0.00 0.00 0.00 0.87 -0.92 -3.48 113.55 110.03 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 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1a90 h SER 36 CO 0.00 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 1a90 n ASN 37 N -3.46 -0.21 -1.67 6.23 3.02 -1.25 -3.83 115.26 114.09 1a90 n ASN 37 Ca -0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1a90 n ASN 37 Cb 0.25 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1a90 n ASP 38 N -0.19 5.61 0.00 6.41 2.03 -1.26 -4.30 116.55 124.85 1a90 n ASP 38 Ca 0.00 -2.58 0.00 0.00 0.52 0.00 0.00 54.79 52.73 1a90 n ASP 38 Cb 0.00 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1a90 n ASP 38 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1a90 n LYS 39 N 1.36 0.00 0.00 -0.67 4.76 -1.25 -4.73 118.16 117.63 1a90 n LYS 39 Ca 0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1a90 n LYS 39 Cb 0.57 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 1a90 n LYS 39 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 1a90 n TYR 40 N -1.72 0.00 -4.63 2.13 0.18 -1.26 -3.89 117.16 107.96 1a90 n TYR 40 Ca 0.00 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.48 1a90 n TYR 40 Cb 0.00 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.82 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 1.68 3.25 -0.17 9.48 0.01 -1.02 -4.53 113.70 122.41 1a90 s SER 41 Ca 0.00 -0.67 -0.08 0.00 1.31 0.00 0.00 55.95 56.51 1a90 s SER 41 Cb 0.00 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1a90 s SER 41 CO 0.00 0.22 0.09 -0.44 0.41 0.00 0.00 173.24 173.52 1a90 s SER 42 N -1.67 5.89 0.22 2.44 0.01 -1.26 0.10 113.70 119.42 1a90 s SER 42 Ca 0.13 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1a90 s SER 42 Cb -0.10 -1.98 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 1a90 s SER 42 CO 0.04 0.23 0.10 -0.13 0.41 0.00 0.00 173.24 173.88 1a90 s ARG 43 N 0.07 1.27 0.03 12.44 1.81 -0.90 -3.68 118.95 129.99 1a90 s ARG 43 Ca 0.07 -1.67 -0.00 0.00 -1.72 0.00 0.00 55.73 52.41 1a90 s ARG 43 Cb -0.12 -0.03 0.01 0.00 -0.45 0.00 0.00 34.95 34.36 1a90 s ARG 43 CO 0.00 -0.31 0.01 1.55 -0.68 0.00 0.00 175.30 175.87 1a90 n VAL 44 N -0.35 0.00 0.00 3.52 3.14 -1.26 -1.25 118.33 122.13 1a90 n VAL 44 Ca -0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1a90 n VAL 44 Cb 0.66 -0.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.42 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 -2.78 0.00 -3.58 1.55 0.31 -1.26 -3.55 118.33 109.02 1a90 n VAL 45 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 1a90 n VAL 45 Cb 0.01 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.82 1a90 n VAL 45 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1a90 s ARG 46 N 0.00 1.15 1.02 5.55 3.52 -1.24 -4.95 118.95 124.00 1a90 s ARG 46 Ca 0.00 -2.06 -0.17 0.00 -0.13 0.00 0.00 55.73 53.38 1a90 s ARG 46 Cb 0.00 -1.96 -0.00 0.00 -1.56 0.00 0.00 34.95 31.43 1a90 s ARG 46 CO 0.00 -1.26 -0.14 0.28 -0.81 0.00 0.00 175.30 173.37 1a90 n VAL 47 N 3.24 0.00 0.06 7.11 0.31 -1.26 -1.63 118.33 126.16 1a90 n VAL 47 Ca 0.17 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1a90 n VAL 47 Cb 0.39 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 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 -3.64 0.00 -3.65 2.52 5.41 0.23 -4.73 119.36 115.49 1a90 n ILE 48 Ca 0.02 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.53 1a90 n ILE 48 Cb 0.59 -0.34 -0.17 0.00 -0.71 0.00 0.00 39.64 39.01 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 -4.03 1.99 -0.25 4.38 0.01 -1.18 -4.94 113.70 109.69 1a90 s SER 49 Ca 0.00 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1a90 s SER 49 Cb 0.00 -0.26 0.07 0.00 0.21 0.00 0.00 66.02 66.04 1a90 s SER 49 CO 0.00 -0.31 -0.00 0.00 0.41 0.00 0.00 173.24 173.34 1a90 s ALA 50 N 2.11 1.78 0.35 1.44 0.00 -1.25 -0.36 121.76 125.83 1a90 s ALA 50 Ca 0.03 -1.39 -0.15 0.00 0.00 0.00 0.00 51.96 50.45 1a90 s ALA 50 Cb -0.15 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.55 1a90 s ALA 50 CO -0.07 -1.32 0.73 -1.59 0.00 0.00 0.00 175.76 173.51 1a90 s LYS 51 N 1.48 2.06 -0.33 0.00 -2.85 -0.59 -3.74 119.74 115.78 1a90 s LYS 51 Ca -0.01 -1.36 -0.01 0.00 -1.00 0.00 0.00 55.97 53.60 1a90 s LYS 51 Cb -0.18 0.60 0.13 0.00 -2.06 0.00 0.00 37.83 36.31 1a90 s LYS 51 CO -0.10 -0.95 0.21 0.50 0.10 0.00 0.00 175.35 175.11 1a90 s ARG 52 N -2.85 0.43 1.06 1.78 3.52 -0.52 0.01 118.95 122.37 1a90 s ARG 52 Ca 0.16 -0.96 -0.21 0.00 -0.13 0.00 0.00 55.73 54.60 1a90 s ARG 52 Cb -0.05 -1.16 0.01 0.00 -1.56 0.00 0.00 34.95 32.20 1a90 s ARG 52 CO 0.11 -1.14 -0.49 0.94 -0.81 0.00 0.00 175.30 173.91 1a90 n GLN 53 N 4.52 -1.13 -3.59 5.12 7.27 0.32 -2.97 117.38 126.91 1a90 n GLN 53 Ca 0.05 -0.32 -0.29 0.00 0.07 0.00 0.00 57.00 56.51 1a90 n GLN 53 Cb 0.40 -1.43 -0.13 0.00 2.41 0.00 0.00 30.24 31.49 1a90 n GLN 53 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1a90 s LEU 54 N 2.11 1.73 -0.45 1.69 2.96 -1.26 -1.84 118.68 123.62 1a90 s LEU 54 Ca 0.46 -2.24 0.06 0.00 -0.22 0.00 0.00 54.13 52.18 1a90 s LEU 54 Cb -0.03 -0.68 0.41 0.00 0.50 0.00 0.00 46.19 46.38 1a90 s LEU 54 CO 0.61 -0.31 1.08 0.55 -1.32 0.00 0.00 176.35 176.96 1a90 n VAL 55 N 4.01 2.40 0.00 1.68 3.14 -1.26 -4.87 118.33 123.42 1a90 n VAL 55 Ca 0.08 -4.95 0.00 0.00 -2.96 0.00 0.00 64.34 56.51 1a90 n VAL 55 Cb 0.37 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 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 -0.43 0.00 -4.78 6.55 3.41 -1.26 -4.89 113.62 112.23 1a90 n SER 56 Ca 0.37 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.71 1a90 n SER 56 Cb 0.63 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1a90 n SER 56 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a90 s GLY 57 N 0.00 1.75 0.05 5.00 0.00 -1.26 -4.99 107.32 107.87 1a90 s GLY 57 Ca 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 44.72 43.46 1a90 s GLY 57 CO 0.00 -1.22 0.27 -0.42 0.00 0.00 0.00 173.10 171.74 1a90 s ILE 58 N -1.70 5.30 -0.22 0.90 1.09 -0.91 -4.34 121.20 121.32 1a90 s ILE 58 Ca 0.30 0.01 0.02 0.00 -1.10 0.00 0.00 60.65 59.88 1a90 s ILE 58 Cb -0.10 -3.59 0.04 0.00 -1.06 0.00 0.00 42.46 37.75 1a90 s ILE 58 CO 0.22 0.25 -0.14 -0.54 -0.10 0.00 0.00 174.94 174.63 1a90 s LYS 59 N -2.10 2.47 -0.87 2.79 1.02 -0.77 -1.19 119.74 121.09 1a90 s LYS 59 Ca 0.32 -1.06 -0.25 0.00 0.02 0.00 0.00 55.97 55.00 1a90 s LYS 59 Cb -0.13 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1a90 s LYS 59 CO 0.20 -0.41 1.59 0.71 -0.92 0.00 0.00 175.35 176.53 1a90 s TYR 60 N 1.23 2.18 -0.03 3.18 2.02 0.21 -0.52 117.35 125.61 1a90 s TYR 60 Ca -0.02 -0.08 -0.24 0.00 -0.37 0.00 0.00 57.07 56.36 1a90 s TYR 60 Cb -0.17 -4.44 -0.04 0.00 -0.40 0.00 0.00 41.96 36.91 1a90 s TYR 60 CO -0.09 -1.97 0.72 0.42 -1.57 0.00 0.00 175.55 173.07 1a90 s ILE 61 N 6.98 4.94 0.04 2.71 -1.09 0.10 -1.51 121.20 133.39 1a90 s ILE 61 Ca 0.53 1.51 0.06 0.00 -2.23 0.00 0.00 60.65 60.51 1a90 s ILE 61 Cb -0.05 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 1a90 s ILE 61 CO 0.02 0.29 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.64 1a90 s LEU 62 N 0.49 2.18 -0.08 2.97 1.98 0.11 -1.54 118.68 124.80 1a90 s LEU 62 Ca 0.38 -0.49 -0.10 0.00 -2.89 0.00 0.00 54.13 51.03 1a90 s LEU 62 Cb -0.19 -0.69 0.02 0.00 0.66 0.00 0.00 46.19 45.99 1a90 s LEU 62 CO 0.20 0.06 0.27 -1.10 -1.89 0.00 0.00 176.35 173.88 1a90 s GLN 63 N -1.22 0.38 -0.28 1.98 -0.21 0.52 -1.16 119.66 119.67 1a90 s GLN 63 Ca 0.03 0.23 -0.22 0.00 0.02 0.00 0.00 55.36 55.42 1a90 s GLN 63 Cb -0.08 0.18 0.13 0.00 1.00 0.00 0.00 33.01 34.24 1a90 s GLN 63 CO 0.02 -0.07 1.03 0.14 -2.12 0.00 0.00 175.29 174.29 1a90 s VAL 64 N -0.19 0.00 -1.21 1.09 -7.23 -0.86 -0.60 120.40 111.40 1a90 s VAL 64 Ca -0.03 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 59.94 1a90 s VAL 64 Cb -0.03 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 1a90 s VAL 64 CO 0.01 0.00 1.89 -0.62 -0.31 0.00 0.00 175.10 176.07 1a90 n GLU 65 N 2.63 2.31 -1.62 4.82 1.02 -0.65 -2.11 120.64 127.05 1a90 n GLU 65 Ca -0.14 -2.72 -0.48 0.00 -0.02 0.00 0.00 57.16 53.80 1a90 n GLU 65 Cb 0.56 -3.51 -0.04 0.00 -0.02 0.00 0.00 31.44 28.43 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 6.83 0.66 -3.18 -3.67 2.08 0.33 -3.64 119.36 118.77 1a90 n ILE 66 Ca 0.48 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.62 1a90 n ILE 66 Cb 0.45 -1.13 0.00 0.00 -0.75 0.00 0.00 39.64 38.21 1a90 n ILE 66 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1a90 n GLY 67 N 2.31 4.19 3.71 7.39 0.00 -0.38 0.97 105.19 123.38 1a90 n GLY 67 Ca 0.15 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1a90 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a90 n ARG 68 N -0.24 0.72 -3.34 1.61 1.74 -1.26 -2.12 116.66 113.78 1a90 n ARG 68 Ca 0.00 -3.78 -0.14 0.00 -0.77 0.00 0.00 57.85 53.15 1a90 n ARG 68 Cb 0.00 1.09 -0.07 0.00 -1.02 0.00 0.00 32.46 32.46 1a90 n ARG 68 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1a90 s THR 69 N -2.90 -0.43 0.00 0.55 -1.32 0.11 -3.52 115.64 108.13 1a90 s THR 69 Ca 0.02 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 1a90 s THR 69 Cb 0.00 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 1a90 s THR 69 CO 0.01 -0.48 0.00 1.07 -2.21 0.00 0.00 174.62 173.01 1a90 n THR 70 N 4.51 0.00 -3.71 5.08 5.66 0.40 -2.42 114.28 123.80 1a90 n THR 70 Ca 0.08 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.82 1a90 n THR 70 Cb 0.47 -0.06 0.01 0.00 -1.55 0.00 0.00 70.33 69.19 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 -2.98 -0.36 0.07 0.00 -0.04 -1.25 -4.58 135.00 125.86 1a90 n PRO 72 Ca -0.16 -0.37 -0.13 0.00 -0.04 0.00 0.00 63.50 62.81 1a90 n PRO 72 Cb 0.45 -0.25 -0.08 0.00 -0.04 0.00 0.00 33.50 33.58 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 -0.11 0.07 0.54 6.56 -1.85 0.57 116.57 122.35 1a90 h LYS 73 Ca -0.08 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.53 1a90 h LYS 73 Cb 0.22 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.87 1a90 h LYS 73 CO 0.05 0.01 -0.30 0.77 -2.06 0.00 0.00 179.45 177.92 1a90 h SER 74 N -0.20 -0.91 -0.56 0.86 0.02 -1.93 -1.48 113.55 109.35 1a90 h SER 74 Ca -0.01 0.10 -0.35 0.00 -0.84 0.00 0.00 61.79 60.69 1a90 h SER 74 Cb 0.17 0.33 -0.17 0.00 0.14 0.00 0.00 62.40 62.87 1a90 h SER 74 CO 0.02 -0.32 0.44 -1.54 -1.14 0.00 0.00 176.83 174.30 1a90 n SER 75 N -4.16 5.41 0.03 3.07 3.41 -1.21 -4.52 113.62 115.65 1a90 n SER 75 Ca -0.05 -3.07 -0.11 0.00 -0.26 0.00 0.00 58.87 55.38 1a90 n SER 75 Cb 0.23 -0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 63.21 1a90 n SER 75 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1a90 h GLY 76 N 2.39 0.02 0.00 5.00 0.00 0.13 -3.38 103.07 107.24 1a90 h GLY 76 Ca 0.35 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1a90 h GLY 76 CO 0.79 -0.01 0.00 1.22 0.00 0.00 0.00 176.54 178.54 1a90 n ASP 77 N -5.10 -1.53 0.00 0.19 9.92 -1.26 -4.47 116.55 114.29 1a90 n ASP 77 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1a90 n ASP 77 Cb 0.04 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 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 0.00 0.35 -3.30 0.64 4.77 -1.26 -4.89 117.00 113.31 1a90 n LEU 78 Ca 0.00 0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 1a90 n LEU 78 Cb 0.00 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 1a90 n LEU 78 CO 0.00 -0.33 -0.30 1.67 -1.33 0.00 0.00 177.39 177.10 1a90 n GLN 79 N -1.93 0.49 -2.72 3.23 7.27 -1.26 -4.95 117.38 117.51 1a90 n GLN 79 Ca 0.00 -3.23 -0.10 0.00 0.07 0.00 0.00 57.00 53.74 1a90 n GLN 79 Cb 0.00 -1.46 0.02 0.00 2.41 0.00 0.00 30.24 31.22 1a90 n GLN 79 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1a90 n SER 80 N 2.09 1.39 -4.77 1.69 3.41 -1.26 -5.10 113.62 111.06 1a90 n SER 80 Ca 0.25 -2.75 -0.38 0.00 -0.26 0.00 0.00 58.87 55.73 1a90 n SER 80 Cb 0.50 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a90 s GLU 82 N -1.69 1.16 0.00 0.00 2.56 -1.26 -5.01 118.70 114.46 1a90 s GLU 82 Ca 0.45 -0.49 0.00 0.00 0.00 0.00 0.00 54.97 54.93 1a90 s GLU 82 Cb -0.21 0.49 0.00 0.00 2.00 0.00 0.00 34.13 36.41 1a90 s GLU 82 CO 0.26 -0.51 0.00 1.19 -0.56 0.00 0.00 175.26 175.64 1a90 n PHE 83 N -0.35 0.00 -1.98 5.30 3.01 -1.23 0.15 117.46 122.36 1a90 n PHE 83 Ca -0.11 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.98 1a90 n PHE 83 Cb 0.63 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.13 1a90 n PHE 83 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1a90 n HIS 84 N 0.00 3.06 -1.83 1.38 -0.00 -1.26 -2.64 115.22 113.93 1a90 n HIS 84 Ca 0.00 -2.49 -0.00 0.00 0.46 0.00 0.00 57.72 55.69 1a90 n HIS 84 Cb 0.00 -1.01 -0.00 0.00 -0.12 0.00 0.00 29.99 28.86 1a90 n HIS 84 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1a90 n ASP 85 N -0.55 -0.62 0.00 0.26 2.03 -1.26 -4.66 116.55 111.74 1a90 n ASP 85 Ca 0.52 0.28 0.00 0.00 0.52 0.00 0.00 54.79 56.10 1a90 n ASP 85 Cb 0.33 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1a90 n ASP 85 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1a90 n GLU 86 N -1.84 0.00 0.00 -0.67 0.28 -1.26 -5.10 120.64 112.04 1a90 n GLU 86 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1a90 n GLU 86 Cb 0.28 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.15 1a90 n GLU 86 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1a90 n PRO 87 N -0.86 3.10 -2.98 3.44 -0.04 -1.26 -2.13 135.00 134.27 1a90 n PRO 87 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1a90 n PRO 87 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1a90 n PRO 87 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1a90 n GLU 88 N 0.00 -0.98 0.00 0.54 0.28 -1.26 -2.08 120.64 117.15 1a90 n GLU 88 Ca 0.00 -0.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1a90 n GLU 88 Cb 0.00 -0.41 0.00 0.00 1.43 0.00 0.00 31.44 32.46 1a90 n GLU 88 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1a90 n LEU 89 N -1.60 0.00 -2.05 -1.84 4.77 -1.26 -4.93 117.00 110.09 1a90 n LEU 89 Ca -0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.74 1a90 n LEU 89 Cb 0.11 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1a90 n LEU 89 CO 0.14 0.00 1.32 0.00 -1.33 0.00 0.00 177.39 177.52 1a90 n ALA 90 N 0.00 5.50 -1.00 -1.18 0.00 -0.88 -4.76 120.51 118.19 1a90 n ALA 90 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1a90 n ALA 90 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 0.56 0.44 -4.12 0.00 5.02 -1.26 -4.70 118.16 114.10 1a90 n LYS 91 Ca 0.35 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.48 1a90 n LYS 91 Cb 0.58 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.55 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 -0.24 1.23 -0.03 2.13 2.02 -1.26 -4.12 117.35 117.08 1a90 s TYR 92 Ca 0.00 -1.40 -0.14 0.00 -0.37 0.00 0.00 57.07 55.17 1a90 s TYR 92 Cb 0.00 -0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.39 1a90 s TYR 92 CO 0.00 -1.12 0.30 -0.08 -1.57 0.00 0.00 175.55 173.08 1a90 s THR 93 N -3.01 0.05 -0.44 -0.71 -1.32 0.27 -4.91 115.64 105.57 1a90 s THR 93 Ca 0.33 -0.42 -0.20 0.00 -1.21 0.00 0.00 61.69 60.19 1a90 s THR 93 Cb -0.00 -0.58 0.02 0.00 -1.51 0.00 0.00 72.50 70.44 1a90 s THR 93 CO 0.23 -0.23 0.60 -0.89 -2.21 0.00 0.00 174.62 172.12 1a90 s THR 94 N -1.09 4.88 0.21 5.08 2.01 -1.26 0.12 115.64 125.59 1a90 s THR 94 Ca -0.12 0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.01 1a90 s THR 94 Cb -0.05 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 1a90 s THR 94 CO 0.03 -0.57 -0.22 0.00 -0.69 0.00 0.00 174.62 173.18 1a90 s THR 96 N -1.94 0.81 -0.10 0.00 2.01 -0.66 -2.03 115.64 113.72 1a90 s THR 96 Ca 0.22 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1a90 s THR 96 Cb -0.07 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1a90 s THR 96 CO 0.11 0.24 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.75 1a90 s PHE 97 N -0.10 2.71 -0.30 4.92 0.08 -0.31 -1.80 117.98 123.19 1a90 s PHE 97 Ca 0.02 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.47 1a90 s PHE 97 Cb -0.05 -1.75 0.08 0.00 -0.57 0.00 0.00 43.02 40.73 1a90 s PHE 97 CO -0.00 -0.16 -0.00 0.08 -0.10 0.00 0.00 175.22 175.03 1a90 s VAL 98 N 0.07 1.91 -0.26 -0.44 1.01 -0.62 0.04 120.40 122.12 1a90 s VAL 98 Ca -0.07 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.05 1a90 s VAL 98 Cb -0.15 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1a90 s VAL 98 CO 0.05 -0.38 0.00 -0.69 0.00 0.00 0.00 175.10 174.08 1a90 s VAL 99 N 1.15 3.47 0.27 2.92 1.01 -0.57 -1.35 120.40 127.31 1a90 s VAL 99 Ca 0.03 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1a90 s VAL 99 Cb -0.19 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 1a90 s VAL 99 CO -0.09 0.23 1.09 -0.47 0.00 0.00 0.00 175.10 175.86 1a90 s TYR 100 N 1.45 3.60 -0.04 5.22 5.04 -0.40 -0.62 117.35 131.60 1a90 s TYR 100 Ca 0.03 1.70 -0.02 0.00 -2.44 0.00 0.00 57.07 56.34 1a90 s TYR 100 Cb -0.16 -3.27 0.03 0.00 0.35 0.00 0.00 41.96 38.91 1a90 s TYR 100 CO -0.01 -0.50 0.07 0.45 -1.34 0.00 0.00 175.55 174.22 1a90 s SER 101 N -0.84 1.06 -0.37 4.32 0.15 -0.33 -1.55 113.70 116.14 1a90 s SER 101 Ca 0.45 0.11 -0.04 0.00 0.70 0.00 0.00 55.95 57.16 1a90 s SER 101 Cb -0.31 -0.09 0.08 0.00 -1.71 0.00 0.00 66.02 63.99 1a90 s SER 101 CO 0.40 -0.25 0.15 -0.63 1.20 0.00 0.00 173.24 174.11 1a90 s ILE 102 N 2.15 3.41 0.03 6.45 1.01 -0.61 -2.14 121.20 131.50 1a90 s ILE 102 Ca 0.04 -1.67 -0.26 0.00 0.00 0.00 0.00 60.65 58.77 1a90 s ILE 102 Cb -0.12 -3.15 -0.17 0.00 0.01 0.00 0.00 42.46 39.03 1a90 s ILE 102 CO -0.03 -0.45 1.42 1.55 0.00 0.00 0.00 174.94 177.42 1a90 h PRO 103 N 8.11 -0.28 0.00 2.79 0.13 -1.94 0.60 132.00 141.42 1a90 h PRO 103 Ca -0.18 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1a90 h PRO 103 Cb 1.06 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1a90 h PRO 103 CO 0.65 -0.01 0.05 -2.67 -0.23 0.00 0.00 178.00 175.80 1a90 n TRP 104 N -5.11 0.04 -1.16 1.56 2.14 -1.26 -1.68 117.44 111.97 1a90 n TRP 104 Ca -0.09 0.02 0.01 0.00 2.07 0.00 0.00 57.50 59.51 1a90 n TRP 104 Cb 0.21 -0.48 0.01 0.00 -0.81 0.00 0.00 31.31 30.24 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 -1.50 0.48 -3.84 5.67 -0.00 -1.05 -5.02 117.00 111.75 1a90 n LEU 105 Ca -0.00 -0.84 -0.26 0.00 -0.00 0.00 0.00 56.01 54.91 1a90 n LEU 105 Cb 0.05 -0.04 -0.03 0.00 -0.00 0.00 0.00 43.42 43.41 1a90 n LEU 105 CO 0.01 0.20 -0.22 -3.20 -0.00 0.00 0.00 177.39 174.18 1a90 n ASN 106 N -0.19 -0.97 -4.07 1.96 5.15 0.20 -4.87 115.26 112.46 1a90 n ASN 106 Ca 0.01 -0.87 -0.33 0.00 -0.60 0.00 0.00 54.58 52.79 1a90 n ASN 106 Cb 0.54 -1.07 -0.14 0.00 -0.53 0.00 0.00 39.78 38.58 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1a90 s GLN 107 N -6.31 1.91 0.01 1.20 0.74 -0.56 -4.95 119.66 111.71 1a90 s GLN 107 Ca 0.16 -1.63 0.01 0.00 0.05 0.00 0.00 55.36 53.95 1a90 s GLN 107 Cb -0.09 -3.17 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 1a90 s GLN 107 CO 0.67 -0.81 0.04 -1.50 -0.55 0.00 0.00 175.29 173.14 1a90 s ILE 108 N 1.04 4.40 -0.21 -2.34 2.07 -1.26 -1.57 121.20 123.33 1a90 s ILE 108 Ca 0.03 -0.58 -0.18 0.00 -1.41 0.00 0.00 60.65 58.50 1a90 s ILE 108 Cb -0.20 -3.01 0.06 0.00 0.13 0.00 0.00 42.46 39.44 1a90 s ILE 108 CO -0.06 0.32 0.55 -0.75 -1.91 0.00 0.00 174.94 173.10 1a90 s LYS 109 N -1.77 0.64 0.71 3.50 2.20 -0.60 -4.99 119.74 119.43 1a90 s LYS 109 Ca 0.22 0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 56.52 1a90 s LYS 109 Cb -0.12 0.29 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1a90 s LYS 109 CO 0.13 -0.09 1.07 -1.17 -0.36 0.00 0.00 175.35 174.93 1a90 s LEU 110 N 0.43 3.04 0.00 5.43 2.96 -1.26 -1.27 118.68 128.01 1a90 s LEU 110 Ca -0.01 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.47 1a90 s LEU 110 Cb -0.04 -4.40 0.00 0.00 0.50 0.00 0.00 46.19 42.25 1a90 s LEU 110 CO -0.01 -1.53 0.00 0.18 -1.32 0.00 0.00 176.35 173.67 1a90 n LEU 111 N -3.18 0.00 -3.78 -0.68 4.32 -0.45 -4.81 117.00 108.42 1a90 n LEU 111 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.65 1a90 n LEU 111 Cb 0.54 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1a90 n LEU 111 CO 0.56 0.00 1.88 -0.62 -1.22 0.00 0.00 177.39 177.98 1a90 n GLU 112 N -0.44 4.16 -3.44 3.23 1.02 -1.16 -4.85 120.64 119.16 1a90 n GLU 112 Ca 0.00 -3.79 -0.43 0.00 -0.02 0.00 0.00 57.16 52.92 1a90 n GLU 112 Cb 0.00 -2.74 -0.03 0.00 -0.02 0.00 0.00 31.44 28.65 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 0.06 6.57 0.17 1.62 1.04 -1.25 -1.58 113.70 120.33 1a90 s SER 113 Ca 0.41 -3.12 -0.24 0.00 0.48 0.00 0.00 55.95 53.48 1a90 s SER 113 Cb 0.12 -2.11 0.06 0.00 0.10 0.00 0.00 66.02 64.18 1a90 s SER 113 CO -0.01 -0.40 0.84 -0.54 0.98 0.00 0.00 173.24 174.11 1a90 s LYS 114 N -0.49 1.33 0.08 4.02 1.02 -0.74 -4.99 119.74 119.96 1a90 s LYS 114 Ca 0.23 -0.69 0.07 0.00 0.02 0.00 0.00 55.97 55.60 1a90 s LYS 114 Cb -0.11 0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 37.64 1a90 s LYS 114 CO -0.08 -0.60 -0.14 0.00 -0.92 0.00 0.00 175.35 173.60