#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 1.57 0.71 4.61 0.00 -1.26 -5.16 121.76 122.23 1a90 s ALA 10 Ca 0.00 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.24 1a90 s ALA 10 Cb 0.00 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.48 1a90 s ALA 10 CO 0.00 -0.20 1.06 -1.25 0.00 0.00 0.00 175.76 175.37 1a90 s PRO 11 N -3.83 2.57 -0.48 0.00 0.04 -1.26 -4.81 135.00 127.23 1a90 s PRO 11 Ca 0.23 0.18 -0.08 0.00 0.04 0.00 0.00 61.00 61.37 1a90 s PRO 11 Cb 0.05 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.63 1a90 s PRO 11 CO 0.04 -1.12 0.34 0.08 0.04 0.00 0.00 177.00 176.38 1a90 s VAL 12 N -3.32 4.04 0.65 -0.36 1.01 -1.25 -4.96 120.40 116.20 1a90 s VAL 12 Ca 0.58 -1.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.44 1a90 s VAL 12 Cb -0.11 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1a90 s VAL 12 CO 0.49 -0.78 1.14 -2.16 0.00 0.00 0.00 175.10 173.79 1a90 s PRO 13 N 1.16 2.78 0.34 2.72 0.04 -1.26 -1.40 135.00 139.37 1a90 s PRO 13 Ca 0.08 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.67 1a90 s PRO 13 Cb -0.24 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1a90 s PRO 13 CO -0.02 -1.29 0.53 0.08 0.04 0.00 0.00 177.00 176.34 1a90 s VAL 14 N -2.10 5.06 0.07 -0.36 1.01 -1.18 -4.86 120.40 118.05 1a90 s VAL 14 Ca 0.70 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1a90 s VAL 14 Cb -0.24 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1a90 s VAL 14 CO 0.39 -0.52 0.10 0.47 0.00 0.00 0.00 175.10 175.54 1a90 n ASP 15 N -1.75 0.12 -0.01 3.32 8.00 -1.26 -4.92 116.55 120.06 1a90 n ASP 15 Ca -0.05 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1a90 n ASP 15 Cb 0.56 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1a90 n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a90 n GLU 16 N -1.19 0.59 0.00 -1.24 4.71 -1.26 -4.43 120.64 117.81 1a90 n GLU 16 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1a90 n GLU 16 Cb 0.06 -1.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.48 1a90 n GLU 16 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1a90 n ASN 17 N -0.49 0.00 -3.26 1.62 0.23 -1.26 -5.08 115.26 107.01 1a90 n ASN 17 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.79 1a90 n ASN 17 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 1a90 n ASN 17 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1a90 n ASP 18 N -0.22 -6.39 0.02 0.53 9.92 -1.26 -4.44 116.55 114.72 1a90 n ASP 18 Ca 0.00 0.15 0.22 0.00 -0.53 0.00 0.00 54.79 54.63 1a90 n ASP 18 Cb 0.00 -2.84 0.73 0.00 -0.64 0.00 0.00 41.12 38.37 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 2.25 0.00 0.37 -1.24 -0.00 -1.97 -1.20 114.58 112.78 1a90 h GLU 19 Ca -0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.00 1a90 h GLU 19 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1a90 h GLU 19 CO 0.20 0.00 -0.18 0.78 -0.00 0.00 0.00 179.01 179.81 1a90 h GLY 20 N 0.00 -0.52 1.35 1.06 0.00 -2.00 -2.04 103.07 100.93 1a90 h GLY 20 Ca 0.25 0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.84 1a90 h GLY 20 CO -0.00 -0.19 0.28 -2.00 0.00 0.00 0.00 176.54 174.63 1a90 h LEU 21 N -0.81 0.25 -0.51 3.11 5.85 -1.53 -0.66 115.31 121.01 1a90 h LEU 21 Ca -0.05 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1a90 h LEU 21 Cb 0.53 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1a90 h LEU 21 CO 0.08 0.16 0.21 1.56 -0.34 0.00 0.00 178.44 180.11 1a90 h GLN 22 N 0.29 0.76 0.00 1.25 4.20 -1.09 0.54 115.11 121.05 1a90 h GLN 22 Ca 0.19 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1a90 h GLN 22 Cb 0.37 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1a90 h GLN 22 CO -0.04 0.67 0.00 0.00 -0.67 0.00 0.00 178.83 178.79 1a90 h ARG 23 N 0.68 0.00 0.07 1.46 3.08 -0.41 -1.24 114.38 118.03 1a90 h ARG 23 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1a90 h ARG 23 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1a90 h ARG 23 CO -0.01 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.85 1a90 h ALA 24 N 2.11 -0.10 -0.17 0.04 0.00 -0.29 -2.21 119.26 118.64 1a90 h ALA 24 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1a90 h ALA 24 Cb 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1a90 h ALA 24 CO 0.00 -0.11 0.02 1.25 0.00 0.00 0.00 179.25 180.40 1a90 h LEU 25 N -0.98 0.22 -0.76 0.00 6.46 -1.11 -1.04 115.31 118.10 1a90 h LEU 25 Ca -0.01 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.64 1a90 h LEU 25 Cb 0.43 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1a90 h LEU 25 CO 0.02 0.25 -0.40 1.56 -0.62 0.00 0.00 178.44 179.24 1a90 h GLN 26 N 0.24 0.00 0.30 1.25 4.20 -1.29 0.88 115.11 120.69 1a90 h GLN 26 Ca 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1a90 h GLN 26 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1a90 h GLN 26 CO 0.00 0.40 -0.15 0.35 -0.67 0.00 0.00 178.83 178.77 1a90 h PHE 27 N 0.00 -0.38 -0.09 2.96 3.04 -0.54 -0.41 116.94 121.53 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 1.00 0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.63 1a90 h PHE 27 CO 0.00 -0.06 -0.17 0.00 -2.02 0.00 0.00 178.31 176.06 1a90 h ALA 28 N -0.67 0.14 -0.72 2.41 0.00 -1.55 -2.73 119.26 116.12 1a90 h ALA 28 Ca -0.04 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1a90 h ALA 28 Cb 0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1a90 h ALA 28 CO 0.07 0.06 0.48 0.97 0.00 0.00 0.00 179.25 180.82 1a90 h ILE 29 N -0.20 1.09 -0.68 0.00 6.09 -0.31 0.34 117.51 123.85 1a90 h ILE 29 Ca 0.00 -0.29 0.04 0.00 -1.37 0.00 0.00 64.86 63.24 1a90 h ILE 29 Cb 0.76 0.16 -0.04 0.00 0.47 0.00 0.00 36.82 38.17 1a90 h ILE 29 CO 0.04 0.16 0.45 0.00 -3.07 0.00 0.00 178.15 175.73 1a90 h ALA 30 N 1.58 1.64 0.00 0.18 0.00 -0.94 0.27 119.26 122.00 1a90 h ALA 30 Ca 0.29 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1a90 h ALA 30 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1a90 h ALA 30 CO -0.09 0.28 -0.30 0.93 0.00 0.00 0.00 179.25 180.07 1a90 h GLU 31 N 0.79 0.00 -0.16 0.00 3.07 -0.07 -2.32 114.58 115.89 1a90 h GLU 31 Ca 0.28 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.10 1a90 h GLU 31 Cb 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1a90 h GLU 31 CO -0.08 0.30 -0.05 -0.92 -1.40 0.00 0.00 179.01 176.86 1a90 h TYR 32 N 0.00 0.35 0.19 4.33 5.03 0.63 0.43 116.97 127.93 1a90 h TYR 32 Ca -0.00 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 1a90 h TYR 32 Cb 0.86 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.06 1a90 h TYR 32 CO 0.00 0.61 -0.09 -0.97 -1.32 0.00 0.00 178.16 176.38 1a90 h ASN 33 N 0.00 -0.22 0.65 -2.11 -0.73 -1.27 -1.35 115.58 110.55 1a90 h ASN 33 Ca 0.04 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1a90 h ASN 33 Cb 0.50 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1a90 h ASN 33 CO 0.02 -0.10 0.00 0.08 -0.37 0.00 0.00 177.43 177.06 1a90 h ARG 34 N -0.32 0.00 0.00 6.67 -0.00 -1.40 -1.54 114.38 117.79 1a90 h ARG 34 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 1a90 h ARG 34 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.22 1a90 h ARG 34 CO 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 179.97 179.99 1a90 n ALA 35 N -1.89 2.30 0.55 0.08 0.00 0.15 -3.06 120.51 118.64 1a90 n ALA 35 Ca 0.01 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1a90 n ALA 35 Cb 0.21 -1.46 0.13 0.00 0.00 0.00 0.00 19.45 18.33 1a90 n ALA 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a90 h SER 36 N 0.00 0.00 0.00 0.00 4.64 -0.67 -3.50 113.55 114.02 1a90 h SER 36 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1a90 h SER 36 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1a90 h SER 36 CO 0.00 0.12 0.00 0.59 -0.87 0.00 0.00 176.83 176.67 1a90 n ASN 37 N -2.10 -1.00 0.00 4.97 5.03 -1.17 -2.61 115.26 118.37 1a90 n ASN 37 Ca 0.03 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.53 1a90 n ASN 37 Cb 0.44 0.00 0.30 0.00 -1.02 0.00 0.00 39.78 39.51 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 -1.81 0.00 0.14 6.41 2.03 -1.26 -4.06 116.55 118.00 1a90 n ASP 38 Ca 0.00 -1.40 -0.05 0.00 0.52 0.00 0.00 54.79 53.86 1a90 n ASP 38 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 -0.33 0.00 -0.67 1.79 -1.87 -3.45 116.57 112.03 1a90 h LYS 39 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1a90 h LYS 39 Cb 0.00 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1a90 h LYS 39 CO 0.00 -0.22 0.00 2.48 -1.08 0.00 0.00 179.45 180.63 1a90 n TYR 40 N -2.95 0.00 -4.96 -1.35 0.18 -1.26 -3.67 117.16 103.16 1a90 n TYR 40 Ca -0.04 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.47 1a90 n TYR 40 Cb 0.14 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.94 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 1.83 2.36 -0.17 9.48 0.01 -1.06 -4.69 113.70 121.46 1a90 s SER 41 Ca 0.00 -0.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.84 1a90 s SER 41 Cb 0.00 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 1a90 s SER 41 CO 0.00 0.22 -0.01 -0.44 0.41 0.00 0.00 173.24 173.41 1a90 s SER 42 N -0.27 4.96 0.00 2.44 0.01 -1.26 -0.14 113.70 119.45 1a90 s SER 42 Ca 0.03 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1a90 s SER 42 Cb -0.10 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.31 1a90 s SER 42 CO 0.01 0.16 -0.01 -0.13 0.41 0.00 0.00 173.24 173.67 1a90 s ARG 43 N 0.45 0.13 0.85 12.44 0.52 -1.01 -4.04 118.95 128.30 1a90 s ARG 43 Ca -0.02 -0.17 -0.09 0.00 -0.52 0.00 0.00 55.73 54.93 1a90 s ARG 43 Cb -0.14 -0.03 0.14 0.00 0.52 0.00 0.00 34.95 35.44 1a90 s ARG 43 CO 0.02 0.00 0.32 1.55 0.02 0.00 0.00 175.30 177.22 1a90 n VAL 44 N 2.72 0.00 0.00 3.52 3.14 -1.26 0.14 118.33 126.59 1a90 n VAL 44 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1a90 n VAL 44 Cb 0.59 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 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 -4.04 0.00 -3.78 1.55 0.31 -1.26 -3.73 118.33 107.38 1a90 n VAL 45 Ca 0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.08 1a90 n VAL 45 Cb 0.22 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.01 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 -0.40 1.14 1.04 5.55 3.00 -1.26 -5.02 118.95 123.00 1a90 s ARG 46 Ca 0.00 -1.67 -0.23 0.00 0.00 0.00 0.00 55.73 53.83 1a90 s ARG 46 Cb 0.00 -2.41 -0.08 0.00 0.00 0.00 0.00 34.95 32.46 1a90 s ARG 46 CO 0.00 -1.06 -0.85 0.28 0.00 0.00 0.00 175.30 173.67 1a90 n VAL 47 N 4.13 0.00 0.04 3.52 0.31 -1.26 -3.57 118.33 121.50 1a90 n VAL 47 Ca 0.04 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1a90 n VAL 47 Cb 0.38 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 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 -3.69 0.00 -3.63 2.52 5.41 -0.39 -4.81 119.36 114.78 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 0.68 -0.44 -0.14 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 -4.62 3.68 -0.39 4.38 0.15 -1.23 -4.93 113.70 110.74 1a90 s SER 49 Ca 0.00 -1.71 0.01 0.00 0.70 0.00 0.00 55.95 54.95 1a90 s SER 49 Cb 0.00 -0.65 0.11 0.00 -1.71 0.00 0.00 66.02 63.77 1a90 s SER 49 CO 0.00 -0.39 0.14 0.00 1.20 0.00 0.00 173.24 174.19 1a90 s ALA 50 N 1.56 3.06 0.21 5.45 0.00 -1.25 -1.13 121.76 129.65 1a90 s ALA 50 Ca 0.12 -2.65 0.03 0.00 0.00 0.00 0.00 51.96 49.46 1a90 s ALA 50 Cb -0.18 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1a90 s ALA 50 CO -0.22 -1.78 0.01 0.15 0.00 0.00 0.00 175.76 173.91 1a90 s LYS 51 N 0.82 1.25 -0.50 0.00 1.02 -0.31 -3.10 119.74 118.92 1a90 s LYS 51 Ca 0.11 -1.63 0.04 0.00 0.02 0.00 0.00 55.97 54.51 1a90 s LYS 51 Cb -0.21 -0.45 0.16 0.00 -0.52 0.00 0.00 37.83 36.81 1a90 s LYS 51 CO -0.06 -0.12 0.37 1.03 -0.92 0.00 0.00 175.35 175.65 1a90 s ARG 52 N -3.90 1.43 1.01 1.68 0.52 -0.50 -0.65 118.95 118.55 1a90 s ARG 52 Ca 0.27 -2.45 -0.17 0.00 -0.52 0.00 0.00 55.73 52.87 1a90 s ARG 52 Cb 0.06 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 1a90 s ARG 52 CO 0.07 -1.32 -0.21 1.04 0.02 0.00 0.00 175.30 174.91 1a90 n GLN 53 N 2.72 -0.50 -3.35 3.54 6.02 0.13 -3.80 117.38 122.14 1a90 n GLN 53 Ca 0.23 -0.12 -0.25 0.00 -0.01 0.00 0.00 57.00 56.84 1a90 n GLN 53 Cb 0.41 -1.52 -0.09 0.00 1.02 0.00 0.00 30.24 30.06 1a90 n GLN 53 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1a90 s LEU 54 N 2.09 1.16 0.00 1.08 -0.00 -1.26 -1.63 118.68 120.12 1a90 s LEU 54 Ca 0.50 -2.92 0.00 0.00 -0.00 0.00 0.00 54.13 51.72 1a90 s LEU 54 Cb -0.14 -0.26 0.00 0.00 -0.00 0.00 0.00 46.19 45.78 1a90 s LEU 54 CO 0.71 -0.17 0.00 0.55 -0.00 0.00 0.00 176.35 177.44 1a90 n VAL 55 N 2.93 0.00 -0.49 1.48 3.14 -1.26 -4.84 118.33 119.29 1a90 n VAL 55 Ca 0.28 0.00 0.43 0.00 -2.96 0.00 0.00 64.34 62.09 1a90 n VAL 55 Cb 0.48 0.00 0.74 0.00 -1.06 0.00 0.00 33.84 34.00 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 -5.32 6.55 4.64 -2.01 -3.39 113.55 114.01 1a90 h SER 56 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1a90 h SER 56 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 1a90 h SER 56 CO 0.00 0.00 -0.50 -0.83 -0.87 0.00 0.00 176.83 174.63 1a90 s GLY 57 N -3.81 0.65 0.28 -0.77 0.00 -1.26 -5.00 107.32 97.41 1a90 s GLY 57 Ca -0.05 -1.13 -0.18 0.00 0.00 0.00 0.00 44.72 43.36 1a90 s GLY 57 CO 0.78 -1.10 0.75 -0.42 0.00 0.00 0.00 173.10 173.11 1a90 s ILE 58 N -3.99 4.60 -0.14 0.90 1.09 -0.85 -4.39 121.20 118.42 1a90 s ILE 58 Ca 0.18 1.15 0.01 0.00 -1.10 0.00 0.00 60.65 60.89 1a90 s ILE 58 Cb 0.06 -3.74 -0.00 0.00 -1.06 0.00 0.00 42.46 37.72 1a90 s ILE 58 CO -0.01 -0.00 -0.17 -0.54 -0.10 0.00 0.00 174.94 174.11 1a90 s LYS 59 N -2.50 3.20 -0.74 2.79 1.02 -0.64 -1.09 119.74 121.77 1a90 s LYS 59 Ca 0.49 -0.77 -0.14 0.00 0.02 0.00 0.00 55.97 55.57 1a90 s LYS 59 Cb -0.13 -2.55 0.19 0.00 -0.52 0.00 0.00 37.83 34.82 1a90 s LYS 59 CO 0.19 0.08 0.69 0.71 -0.92 0.00 0.00 175.35 176.10 1a90 s TYR 60 N 0.64 3.62 0.11 3.18 1.51 0.19 0.18 117.35 126.76 1a90 s TYR 60 Ca -0.09 -1.80 -0.27 0.00 -1.01 0.00 0.00 57.07 53.90 1a90 s TYR 60 Cb -0.16 -3.81 -0.06 0.00 -0.11 0.00 0.00 41.96 37.82 1a90 s TYR 60 CO 0.03 -1.00 0.84 0.42 -1.11 0.00 0.00 175.55 174.72 1a90 s ILE 61 N 0.57 4.52 0.02 2.71 -1.09 0.18 -1.18 121.20 126.94 1a90 s ILE 61 Ca 0.14 1.81 0.02 0.00 -2.23 0.00 0.00 60.65 60.39 1a90 s ILE 61 Cb -0.16 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.51 1a90 s ILE 61 CO -0.05 0.40 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.76 1a90 s LEU 62 N -0.40 2.14 -0.02 2.97 1.98 0.15 -1.16 118.68 124.34 1a90 s LEU 62 Ca 0.40 -0.34 -0.08 0.00 -2.89 0.00 0.00 54.13 51.23 1a90 s LEU 62 Cb -0.22 -0.26 0.01 0.00 0.66 0.00 0.00 46.19 46.38 1a90 s LEU 62 CO 0.26 -0.06 0.18 -1.10 -1.89 0.00 0.00 176.35 173.74 1a90 s GLN 63 N -0.88 0.44 -0.26 1.98 -1.52 -0.28 -1.06 119.66 118.09 1a90 s GLN 63 Ca -0.03 -0.20 -0.26 0.00 -1.95 0.00 0.00 55.36 52.92 1a90 s GLN 63 Cb -0.06 0.19 0.12 0.00 -0.22 0.00 0.00 33.01 33.04 1a90 s GLN 63 CO 0.00 -0.10 1.02 0.14 -0.25 0.00 0.00 175.29 176.10 1a90 s VAL 64 N -0.99 0.00 -1.40 1.09 -7.23 -0.89 -1.26 120.40 109.72 1a90 s VAL 64 Ca -0.11 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.94 1a90 s VAL 64 Cb -0.06 -1.00 0.08 0.00 0.56 0.00 0.00 36.38 35.96 1a90 s VAL 64 CO 0.02 0.00 2.14 -0.62 -0.31 0.00 0.00 175.10 176.33 1a90 n GLU 65 N 1.95 3.19 0.00 4.82 -0.58 -1.23 -1.81 120.64 126.97 1a90 n GLU 65 Ca -0.12 -2.92 0.00 0.00 -0.42 0.00 0.00 57.16 53.69 1a90 n GLU 65 Cb 0.56 -3.13 0.00 0.00 -0.57 0.00 0.00 31.44 28.30 1a90 n GLU 65 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1a90 n ILE 66 N 4.35 0.00 -3.05 -3.67 2.08 0.52 -3.60 119.36 115.99 1a90 n ILE 66 Ca 0.49 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.62 1a90 n ILE 66 Cb 0.37 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.30 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 1.85 0.06 7.39 0.00 0.37 -2.00 107.32 114.98 1a90 s GLY 67 Ca 0.00 -1.91 -0.27 0.00 0.00 0.00 0.00 44.72 42.55 1a90 s GLY 67 CO 0.00 -1.60 0.79 -1.60 0.00 0.00 0.00 173.10 170.69 1a90 s ARG 68 N -4.50 1.00 -0.43 2.90 3.52 -1.26 -2.40 118.95 117.78 1a90 s ARG 68 Ca 0.58 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.85 1a90 s ARG 68 Cb -0.08 0.45 0.17 0.00 -1.56 0.00 0.00 34.95 33.94 1a90 s ARG 68 CO 0.36 -0.44 0.51 0.95 -0.81 0.00 0.00 175.30 175.87 1a90 s THR 69 N -3.35 -0.47 0.00 4.11 -4.23 0.81 0.51 115.64 113.02 1a90 s THR 69 Ca 0.04 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1a90 s THR 69 Cb -0.01 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.32 1a90 s THR 69 CO -0.10 -0.48 0.00 1.07 -0.54 0.00 0.00 174.62 174.57 1a90 n THR 70 N 3.57 0.00 -3.71 3.99 5.66 0.37 -2.55 114.28 121.62 1a90 n THR 70 Ca 0.17 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.92 1a90 n THR 70 Cb 0.51 -0.34 0.01 0.00 -1.55 0.00 0.00 70.33 68.95 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 -2.95 0.00 0.00 0.00 -0.04 -1.24 -4.81 135.00 125.96 1a90 n PRO 72 Ca -0.16 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1a90 n PRO 72 Cb 0.44 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 1a90 n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1a90 n LYS 73 N -1.30 0.00 0.00 0.54 5.02 -1.26 -4.89 118.16 116.27 1a90 n LYS 73 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a90 n LYS 73 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a90 n LYS 73 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1a90 n SER 74 N -2.14 0.00 0.00 4.39 7.64 -1.26 -3.82 113.62 118.43 1a90 n SER 74 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a90 n SER 74 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.81 0.00 0.00 6.43 7.64 -1.26 -5.14 113.62 123.11 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 4.51 -0.30 1.63 0.23 0.00 -1.25 -4.99 105.19 105.01 1a90 n GLY 76 Ca 0.00 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.79 1a90 n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a90 n ASP 77 N 0.00 -2.01 -0.06 1.61 2.03 -1.26 -5.00 116.55 111.86 1a90 n ASP 77 Ca 0.00 -0.01 -0.04 0.00 0.52 0.00 0.00 54.79 55.26 1a90 n ASP 77 Cb 0.00 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 39.74 1a90 n ASP 77 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1a90 n LEU 78 N -0.57 1.54 -4.84 -2.67 0.00 -1.26 -4.99 117.00 104.20 1a90 n LEU 78 Ca -0.00 0.57 -0.21 0.00 0.00 0.00 0.00 56.01 56.37 1a90 n LEU 78 Cb 0.50 -0.81 -0.04 0.00 0.00 0.00 0.00 43.42 43.07 1a90 n LEU 78 CO 0.02 -0.48 -0.06 -1.58 0.00 0.00 0.00 177.39 175.29 1a90 s GLN 79 N -2.07 2.57 0.00 1.96 0.74 -1.26 -4.98 119.66 116.62 1a90 s GLN 79 Ca -0.13 -1.46 0.07 0.00 0.05 0.00 0.00 55.36 53.88 1a90 s GLN 79 Cb 0.02 -2.37 0.35 0.00 1.10 0.00 0.00 33.01 32.11 1a90 s GLN 79 CO 0.19 -0.04 0.99 0.43 -0.55 0.00 0.00 175.29 176.31 1a90 n SER 80 N -1.41 0.00 -1.43 6.67 7.64 -1.26 -4.94 113.62 118.89 1a90 n SER 80 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1a90 n SER 80 Cb 0.61 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a90 n GLU 82 N 0.64 0.00 -0.17 0.00 0.28 -1.26 -4.90 120.64 115.22 1a90 n GLU 82 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1a90 n GLU 82 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1a90 n GLU 82 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1a90 n PHE 83 N -0.45 -0.18 -2.69 -1.84 3.72 0.18 -0.48 117.46 115.73 1a90 n PHE 83 Ca 0.00 0.51 -0.06 0.00 -0.05 0.00 0.00 57.45 57.85 1a90 n PHE 83 Cb 0.00 -0.47 0.11 0.00 -0.94 0.00 0.00 39.48 38.18 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 -4.12 -2.10 -1.33 1.38 8.25 -1.26 -3.19 115.22 112.86 1a90 n HIS 84 Ca 0.01 -1.94 -0.12 0.00 -0.26 0.00 0.00 57.72 55.41 1a90 n HIS 84 Cb 0.11 1.44 -0.05 0.00 1.12 0.00 0.00 29.99 32.60 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 -0.76 -3.47 0.00 0.41 9.92 -1.25 -4.69 116.55 116.72 1a90 n ASP 85 Ca -0.05 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1a90 n ASP 85 Cb 0.85 -3.17 0.00 0.00 -0.64 0.00 0.00 41.12 38.17 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 -1.69 0.00 -0.11 -1.24 0.28 -1.26 -4.99 120.64 111.62 1a90 n GLU 86 Ca -0.12 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.78 1a90 n GLU 86 Cb 0.42 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.33 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 0.87 -1.26 3.44 0.13 -1.88 0.19 132.00 133.50 1a90 h PRO 87 Ca 0.00 -0.38 0.37 0.00 -0.87 0.00 0.00 66.00 65.12 1a90 h PRO 87 Cb 0.00 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.02 1a90 h PRO 87 CO 0.00 1.02 0.85 1.49 -0.23 0.00 0.00 178.00 181.13 1a90 h GLU 88 N 0.75 0.15 0.00 0.86 4.57 -1.94 -2.23 114.58 116.74 1a90 h GLU 88 Ca 0.09 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.10 1a90 h GLU 88 Cb 0.80 -0.03 -0.35 0.00 -0.16 0.00 0.00 28.75 29.01 1a90 h GLU 88 CO 0.07 0.10 -0.98 1.28 -1.18 0.00 0.00 179.01 178.30 1a90 n LEU 89 N -4.44 0.88 -2.76 1.64 4.77 -1.12 -4.87 117.00 111.09 1a90 n LEU 89 Ca 0.31 -1.91 -0.29 0.00 -0.03 0.00 0.00 56.01 54.08 1a90 n LEU 89 Cb 1.26 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.34 1a90 n LEU 89 CO 0.30 0.50 0.40 0.00 -1.33 0.00 0.00 177.39 177.26 1a90 n ALA 90 N 0.45 5.16 -1.00 -1.18 0.00 0.64 -4.11 120.51 120.47 1a90 n ALA 90 Ca 0.05 -4.46 0.00 0.00 0.00 0.00 0.00 53.44 49.03 1a90 n ALA 90 Cb 1.10 -0.87 0.00 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 -0.38 0.71 -4.10 0.00 4.76 -1.26 -4.83 118.16 113.06 1a90 n LYS 91 Ca 0.38 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.68 1a90 n LYS 91 Cb 0.50 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.64 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 -0.18 1.01 0.07 2.13 2.02 -1.26 -4.76 117.35 116.37 1a90 s TYR 92 Ca 0.00 -1.24 0.03 0.00 -0.37 0.00 0.00 57.07 55.49 1a90 s TYR 92 Cb 0.00 -0.12 -0.03 0.00 -0.40 0.00 0.00 41.96 41.41 1a90 s TYR 92 CO 0.00 -1.06 -0.09 -0.08 -1.57 0.00 0.00 175.55 172.75 1a90 s THR 93 N -3.32 0.74 -0.45 -0.71 -1.32 -0.85 -4.87 115.64 104.88 1a90 s THR 93 Ca 0.31 -1.36 -0.20 0.00 -1.21 0.00 0.00 61.69 59.23 1a90 s THR 93 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1a90 s THR 93 CO 0.18 -0.47 0.59 -0.89 -2.21 0.00 0.00 174.62 171.82 1a90 s THR 94 N -1.92 4.90 0.19 5.08 2.01 -1.26 0.20 115.64 124.84 1a90 s THR 94 Ca -0.02 -0.11 0.10 0.00 0.31 0.00 0.00 61.69 61.96 1a90 s THR 94 Cb -0.06 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1a90 s THR 94 CO -0.00 -0.59 -0.21 0.00 -0.69 0.00 0.00 174.62 173.13 1a90 s THR 96 N -1.93 1.08 -0.11 0.00 2.01 -0.61 -2.10 115.64 113.98 1a90 s THR 96 Ca 0.19 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1a90 s THR 96 Cb -0.07 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1a90 s THR 96 CO 0.09 0.33 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.86 1a90 s PHE 97 N 0.23 2.80 -0.19 4.92 0.08 -0.22 -1.90 117.98 123.70 1a90 s PHE 97 Ca -0.05 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.57 1a90 s PHE 97 Cb -0.11 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1a90 s PHE 97 CO 0.02 -0.05 -0.15 0.08 -0.10 0.00 0.00 175.22 175.02 1a90 s VAL 98 N -0.02 1.82 -0.14 -0.44 1.01 -0.67 0.29 120.40 122.25 1a90 s VAL 98 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1a90 s VAL 98 Cb -0.14 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1a90 s VAL 98 CO 0.04 0.35 -0.15 -0.69 0.00 0.00 0.00 175.10 174.65 1a90 s VAL 99 N 1.35 1.62 0.09 2.92 1.01 -0.32 -0.94 120.40 126.14 1a90 s VAL 99 Ca 0.02 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 1a90 s VAL 99 Cb -0.15 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 1a90 s VAL 99 CO -0.10 0.47 0.84 -0.47 0.00 0.00 0.00 175.10 175.83 1a90 s TYR 100 N 1.35 3.80 -0.20 5.22 5.04 -0.58 0.52 117.35 132.50 1a90 s TYR 100 Ca 0.02 1.63 -0.00 0.00 -2.44 0.00 0.00 57.07 56.28 1a90 s TYR 100 Cb -0.13 -2.90 0.05 0.00 0.35 0.00 0.00 41.96 39.33 1a90 s TYR 100 CO -0.09 0.30 -0.04 -1.54 -1.34 0.00 0.00 175.55 172.84 1a90 s SER 101 N -0.26 3.34 -0.52 4.32 1.04 -0.25 -1.59 113.70 119.78 1a90 s SER 101 Ca 0.41 -0.93 -0.17 0.00 0.48 0.00 0.00 55.95 55.74 1a90 s SER 101 Cb -0.22 -1.01 0.09 0.00 0.10 0.00 0.00 66.02 64.98 1a90 s SER 101 CO 0.26 -0.22 0.51 -0.63 0.98 0.00 0.00 173.24 174.14 1a90 s ILE 102 N 1.54 5.11 0.02 -1.02 1.01 -0.77 -2.00 121.20 125.09 1a90 s ILE 102 Ca -0.03 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.25 1a90 s ILE 102 Cb -0.17 -4.28 -0.17 0.00 0.01 0.00 0.00 42.46 37.85 1a90 s ILE 102 CO -0.07 -0.79 1.39 1.55 0.00 0.00 0.00 174.94 177.01 1a90 h PRO 103 N 8.90 -0.23 0.00 2.79 0.13 -1.94 0.45 132.00 142.09 1a90 h PRO 103 Ca -0.29 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1a90 h PRO 103 Cb 1.10 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1a90 h PRO 103 CO 0.98 0.06 0.10 -2.67 -0.23 0.00 0.00 178.00 176.24 1a90 n TRP 104 N -5.07 0.22 -1.16 1.56 2.14 -1.26 -1.64 117.44 112.23 1a90 n TRP 104 Ca -0.09 0.12 0.01 0.00 2.07 0.00 0.00 57.50 59.61 1a90 n TRP 104 Cb 0.21 -0.60 0.01 0.00 -0.81 0.00 0.00 31.31 30.12 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 -1.69 0.49 -3.94 5.67 -0.00 -1.10 -5.02 117.00 111.41 1a90 n LEU 105 Ca -0.00 -0.85 -0.30 0.00 -0.00 0.00 0.00 56.01 54.85 1a90 n LEU 105 Cb 0.11 -0.04 -0.02 0.00 -0.00 0.00 0.00 43.42 43.48 1a90 n LEU 105 CO 0.03 0.21 -0.21 -3.20 -0.00 0.00 0.00 177.39 174.22 1a90 n ASN 106 N -0.20 -1.62 -4.00 1.96 2.85 0.15 -4.88 115.26 109.52 1a90 n ASN 106 Ca 0.01 -0.95 -0.31 0.00 -0.11 0.00 0.00 54.58 53.22 1a90 n ASN 106 Cb 0.54 -1.16 -0.15 0.00 1.24 0.00 0.00 39.78 40.25 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 -6.61 1.42 -0.03 1.20 0.74 -0.47 -4.96 119.66 110.95 1a90 s GLN 107 Ca 0.23 -1.82 -0.09 0.00 0.05 0.00 0.00 55.36 53.73 1a90 s GLN 107 Cb -0.13 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 1a90 s GLN 107 CO 0.72 -0.95 0.27 -1.50 -0.55 0.00 0.00 175.29 173.29 1a90 s ILE 108 N 0.94 5.28 -0.11 -2.34 2.07 -1.26 -1.85 121.20 123.93 1a90 s ILE 108 Ca 0.11 0.36 -0.10 0.00 -1.41 0.00 0.00 60.65 59.61 1a90 s ILE 108 Cb -0.19 -3.56 0.03 0.00 0.13 0.00 0.00 42.46 38.87 1a90 s ILE 108 CO -0.09 0.49 0.30 -0.75 -1.91 0.00 0.00 174.94 172.97 1a90 s LYS 109 N -1.39 0.34 0.73 3.50 2.20 -0.62 -5.00 119.74 119.50 1a90 s LYS 109 Ca 0.23 0.42 -0.11 0.00 -0.36 0.00 0.00 55.97 56.15 1a90 s LYS 109 Cb -0.14 0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.36 1a90 s LYS 109 CO 0.12 -0.05 1.08 -1.17 -0.36 0.00 0.00 175.35 174.97 1a90 s LEU 110 N 0.23 2.89 0.00 5.43 2.96 -1.26 -1.52 118.68 127.41 1a90 s LEU 110 Ca -0.01 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 1a90 s LEU 110 Cb -0.03 -4.17 0.00 0.00 0.50 0.00 0.00 46.19 42.50 1a90 s LEU 110 CO -0.00 -1.56 0.00 0.18 -1.32 0.00 0.00 176.35 173.64 1a90 n LEU 111 N -3.18 0.00 -3.78 -0.68 4.32 -0.11 -4.81 117.00 108.75 1a90 n LEU 111 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.64 1a90 n LEU 111 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1a90 n LEU 111 CO 0.57 0.00 1.92 -0.62 -1.22 0.00 0.00 177.39 178.04 1a90 n GLU 112 N -0.44 4.08 -3.44 3.23 1.02 -1.17 -4.85 120.64 119.08 1a90 n GLU 112 Ca 0.00 -3.72 -0.44 0.00 -0.02 0.00 0.00 57.16 52.99 1a90 n GLU 112 Cb 0.00 -2.77 -0.03 0.00 -0.02 0.00 0.00 31.44 28.62 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 0.22 6.51 0.26 1.62 1.04 -1.25 -1.66 113.70 120.43 1a90 s SER 113 Ca 0.42 -3.02 -0.21 0.00 0.48 0.00 0.00 55.95 53.62 1a90 s SER 113 Cb 0.12 -2.11 0.03 0.00 0.10 0.00 0.00 66.02 64.15 1a90 s SER 113 CO -0.01 -0.44 0.71 -0.75 0.98 0.00 0.00 173.24 173.73 1a90 s LYS 114 N -0.33 1.69 0.15 4.02 2.20 -0.80 -4.99 119.74 121.68 1a90 s LYS 114 Ca 0.21 -0.90 0.10 0.00 -0.36 0.00 0.00 55.97 55.03 1a90 s LYS 114 Cb -0.12 0.60 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 1a90 s LYS 114 CO -0.08 -0.77 -0.23 0.00 -0.36 0.00 0.00 175.35 173.91