#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 0.52 -0.44 4.61 0.00 -1.26 -4.98 121.76 120.21 1a90 s ALA 10 Ca 0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 51.96 51.29 1a90 s ALA 10 Cb 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1a90 s ALA 10 CO 0.00 0.08 1.01 -1.25 0.00 0.00 0.00 175.76 175.60 1a90 s PRO 11 N -0.54 3.68 -0.09 0.00 0.04 -1.26 -4.57 135.00 132.26 1a90 s PRO 11 Ca -0.01 0.42 -0.22 0.00 0.04 0.00 0.00 61.00 61.23 1a90 s PRO 11 Cb -0.04 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 1a90 s PRO 11 CO -0.00 -1.21 0.64 0.08 0.04 0.00 0.00 177.00 176.55 1a90 s VAL 12 N 3.94 5.08 0.89 -0.36 1.01 -1.23 -4.78 120.40 124.94 1a90 s VAL 12 Ca 0.41 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 1a90 s VAL 12 Cb -0.09 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.43 1a90 s VAL 12 CO 0.26 0.26 1.09 -2.16 0.00 0.00 0.00 175.10 174.56 1a90 s PRO 13 N 0.83 1.32 0.99 2.72 0.04 -1.26 -0.85 135.00 138.79 1a90 s PRO 13 Ca 0.34 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 1a90 s PRO 13 Cb -0.17 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 32.73 1a90 s PRO 13 CO 0.16 -2.18 1.08 0.08 0.04 0.00 0.00 177.00 176.18 1a90 s VAL 14 N -2.98 2.32 0.18 -0.36 1.01 -1.02 -4.79 120.40 114.76 1a90 s VAL 14 Ca 0.63 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1a90 s VAL 14 Cb -0.17 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1a90 s VAL 14 CO 0.56 -0.14 0.00 0.47 0.00 0.00 0.00 175.10 176.00 1a90 n ASP 15 N -4.28 -3.71 -2.40 3.32 8.00 -1.26 -4.96 116.55 111.26 1a90 n ASP 15 Ca 0.07 0.35 -0.08 0.00 0.71 0.00 0.00 54.79 55.83 1a90 n ASP 15 Cb 0.55 -1.94 0.04 0.00 -0.02 0.00 0.00 41.12 39.74 1a90 n ASP 15 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1a90 n GLU 16 N -2.84 -1.23 -3.24 -1.24 2.13 -1.26 -3.84 120.64 109.12 1a90 n GLU 16 Ca -0.01 0.45 -0.16 0.00 0.66 0.00 0.00 57.16 58.11 1a90 n GLU 16 Cb 0.29 -3.76 0.07 0.00 0.27 0.00 0.00 31.44 28.30 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 -2.39 -3.33 -3.41 4.31 3.02 -1.26 -4.96 115.26 107.24 1a90 n ASN 17 Ca -0.04 -0.48 -0.26 0.00 -0.03 0.00 0.00 54.58 53.77 1a90 n ASN 17 Cb 0.56 -4.22 -0.08 0.00 -0.61 0.00 0.00 39.78 35.43 1a90 n ASN 17 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1a90 n ASP 18 N -2.52 2.50 -0.32 6.41 9.92 -1.25 -4.91 116.55 126.38 1a90 n ASP 18 Ca -0.15 -3.16 0.00 0.00 -0.53 0.00 0.00 54.79 50.95 1a90 n ASP 18 Cb 0.61 -0.67 0.14 0.00 -0.64 0.00 0.00 41.12 40.56 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 4.32 1.00 0.15 -1.24 -0.00 -1.93 -2.15 114.58 114.73 1a90 h GLU 19 Ca 0.16 -0.06 0.01 0.00 -0.00 0.00 0.00 59.36 59.48 1a90 h GLU 19 Cb 0.74 -0.22 -0.03 0.00 -0.00 0.00 0.00 28.75 29.24 1a90 h GLU 19 CO 0.70 0.66 -0.25 0.78 -0.00 0.00 0.00 179.01 180.90 1a90 h GLY 20 N 1.03 -0.48 0.14 1.06 0.00 -1.99 -0.69 103.07 102.12 1a90 h GLY 20 Ca 0.37 0.29 0.20 0.00 0.00 0.00 0.00 47.33 48.19 1a90 h GLY 20 CO -0.16 -0.22 0.62 1.41 0.00 0.00 0.00 176.54 178.19 1a90 h LEU 21 N -0.47 0.68 -0.88 3.11 -0.00 -1.84 0.46 115.31 116.38 1a90 h LEU 21 Ca 0.02 0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 1a90 h LEU 21 Cb 0.48 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.06 1a90 h LEU 21 CO -0.12 0.23 0.42 1.56 -0.00 0.00 0.00 178.44 180.53 1a90 h GLN 22 N 0.65 1.22 0.00 1.13 4.20 -0.55 0.12 115.11 121.88 1a90 h GLN 22 Ca 0.56 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1a90 h GLN 22 Cb 1.02 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1a90 h GLN 22 CO -0.33 0.93 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 1a90 h ARG 23 N 1.21 0.00 0.20 1.46 3.08 0.94 -1.71 114.38 119.57 1a90 h ARG 23 Ca 0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1a90 h ARG 23 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1a90 h ARG 23 CO -0.04 0.00 -0.10 0.00 -1.07 0.00 0.00 179.97 178.76 1a90 h ALA 24 N 2.01 -0.27 -0.86 0.04 0.00 0.60 0.63 119.26 121.40 1a90 h ALA 24 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1a90 h ALA 24 Cb 0.36 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1a90 h ALA 24 CO 0.00 -0.34 0.49 1.25 0.00 0.00 0.00 179.25 180.65 1a90 h LEU 25 N -0.90 1.04 -0.37 0.00 7.12 -1.19 -2.30 115.31 118.71 1a90 h LEU 25 Ca -0.03 -0.07 -0.11 0.00 0.13 0.00 0.00 57.88 57.79 1a90 h LEU 25 Cb 0.50 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 1a90 h LEU 25 CO 0.05 0.82 -0.54 1.56 -0.13 0.00 0.00 178.44 180.19 1a90 h GLN 26 N 1.19 0.00 0.25 1.25 1.08 -1.35 -0.48 115.11 117.04 1a90 h GLN 26 Ca 0.30 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.49 1a90 h GLN 26 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1a90 h GLN 26 CO -0.05 0.54 -0.12 0.35 -0.95 0.00 0.00 178.83 178.60 1a90 h PHE 27 N 0.00 -0.31 -0.09 2.96 3.04 -0.42 -1.72 116.94 120.41 1a90 h PHE 27 Ca -0.01 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1a90 h PHE 27 Cb 1.26 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.87 1a90 h PHE 27 CO 0.00 0.05 -0.09 0.00 -2.02 0.00 0.00 178.31 176.25 1a90 h ALA 28 N -0.52 0.13 -0.88 2.41 0.00 -1.54 -2.71 119.26 116.16 1a90 h ALA 28 Ca -0.03 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1a90 h ALA 28 Cb 0.49 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1a90 h ALA 28 CO 0.06 -0.05 0.53 0.97 0.00 0.00 0.00 179.25 180.76 1a90 h ILE 29 N -0.20 0.98 -0.99 0.00 6.09 -1.07 0.57 117.51 122.90 1a90 h ILE 29 Ca 0.01 -0.32 0.15 0.00 -1.37 0.00 0.00 64.86 63.33 1a90 h ILE 29 Cb 0.60 -0.02 -0.09 0.00 0.47 0.00 0.00 36.82 37.77 1a90 h ILE 29 CO 0.02 0.17 0.61 0.00 -3.07 0.00 0.00 178.15 175.88 1a90 h ALA 30 N 1.44 1.55 -0.60 0.18 0.00 -1.19 0.65 119.26 121.29 1a90 h ALA 30 Ca 0.40 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 1a90 h ALA 30 Cb 0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1a90 h ALA 30 CO -0.21 0.11 0.22 0.93 0.00 0.00 0.00 179.25 180.30 1a90 h GLU 31 N 0.89 0.87 -0.18 0.00 4.39 0.41 -2.35 114.58 118.61 1a90 h GLU 31 Ca 0.52 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 60.12 1a90 h GLU 31 Cb 0.64 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1a90 h GLU 31 CO -0.31 0.73 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.24 1a90 h TYR 32 N 0.86 -0.24 -0.18 4.33 3.20 0.18 0.36 116.97 125.48 1a90 h TYR 32 Ca 0.20 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.12 1a90 h TYR 32 Cb 0.19 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1a90 h TYR 32 CO 0.01 -0.16 0.03 -0.97 -1.64 0.00 0.00 178.16 175.43 1a90 h ASN 33 N -0.09 -0.01 0.55 -2.11 -0.73 -0.97 0.43 115.58 112.65 1a90 h ASN 33 Ca 0.10 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.30 1a90 h ASN 33 Cb 0.24 0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1a90 h ASN 33 CO -0.24 0.02 0.00 0.54 -0.37 0.00 0.00 177.43 177.38 1a90 n ARG 34 N -5.10 0.18 0.07 6.67 1.74 -0.85 -1.74 116.66 117.64 1a90 n ARG 34 Ca -0.03 0.47 0.12 0.00 -0.77 0.00 0.00 57.85 57.65 1a90 n ARG 34 Cb 0.09 -1.89 0.24 0.00 -1.02 0.00 0.00 32.46 29.87 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a90 n ALA 35 N -1.77 2.78 -0.02 7.54 0.00 0.12 -3.84 120.51 125.32 1a90 n ALA 35 Ca 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1a90 n ALA 35 Cb 0.18 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 1a90 n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a90 n SER 36 N -2.11 0.89 0.00 0.00 3.41 -0.71 -4.96 113.62 110.14 1a90 n SER 36 Ca 0.04 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1a90 n SER 36 Cb 0.43 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1a90 n SER 36 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a90 n ASN 37 N -3.05 0.00 -3.18 4.04 3.02 -1.19 -4.96 115.26 109.94 1a90 n ASN 37 Ca -0.17 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.19 1a90 n ASN 37 Cb 1.05 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 40.37 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 2.02 -1.09 0.00 6.41 2.03 -1.26 -5.06 116.55 119.60 1a90 n ASP 38 Ca 0.00 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.26 1a90 n ASP 38 Cb 0.00 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 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 -3.33 0.00 -0.23 -0.67 4.76 -1.26 -4.93 118.16 112.51 1a90 n LYS 39 Ca 0.10 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.57 1a90 n LYS 39 Cb 0.37 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.55 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 0.00 -2.04 -3.87 2.13 0.18 -1.26 -4.70 117.16 107.60 1a90 n TYR 40 Ca 0.00 0.28 -0.27 0.00 1.88 0.00 0.00 57.90 59.79 1a90 n TYR 40 Cb 0.00 -0.50 -0.17 0.00 -0.38 0.00 0.00 39.34 38.29 1a90 n TYR 40 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1a90 s SER 41 N -2.78 2.65 -0.13 9.48 0.15 -1.05 -5.02 113.70 117.00 1a90 s SER 41 Ca 0.00 -0.59 -0.05 0.00 0.70 0.00 0.00 55.95 56.01 1a90 s SER 41 Cb 0.00 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 1a90 s SER 41 CO 0.00 -0.19 0.06 -0.44 1.20 0.00 0.00 173.24 173.87 1a90 s SER 42 N 1.69 5.67 0.08 5.45 0.01 -1.26 -1.98 113.70 123.36 1a90 s SER 42 Ca 0.01 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1a90 s SER 42 Cb -0.15 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1a90 s SER 42 CO -0.08 0.31 0.10 -2.11 0.41 0.00 0.00 173.24 171.87 1a90 n ARG 43 N 2.65 0.15 -0.45 12.44 1.85 -0.96 -4.89 116.66 127.44 1a90 n ARG 43 Ca -0.18 -0.68 -0.14 0.00 -1.00 0.00 0.00 57.85 55.85 1a90 n ARG 43 Cb 0.53 0.63 0.12 0.00 -1.05 0.00 0.00 32.46 32.69 1a90 n ARG 43 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1a90 n VAL 44 N -0.14 0.00 0.07 8.89 3.14 -1.26 -2.16 118.33 126.87 1a90 n VAL 44 Ca 0.00 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1a90 n VAL 44 Cb 0.14 -1.03 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 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 -3.71 0.00 -3.70 1.55 0.31 -1.26 -4.28 118.33 107.24 1a90 n VAL 45 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.13 1a90 n VAL 45 Cb 0.28 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.10 1a90 n VAL 45 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1a90 n ARG 46 N -2.72 1.29 -0.94 5.55 1.74 -1.26 -5.02 116.66 115.31 1a90 n ARG 46 Ca 0.00 -4.04 -0.37 0.00 -0.77 0.00 0.00 57.85 52.68 1a90 n ARG 46 Cb 0.00 -2.06 0.06 0.00 -1.02 0.00 0.00 32.46 29.44 1a90 n ARG 46 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1a90 n VAL 47 N 2.19 0.00 0.08 1.55 0.31 -1.26 -3.58 118.33 117.62 1a90 n VAL 47 Ca 0.24 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1a90 n VAL 47 Cb 0.40 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 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 -3.32 0.00 -3.85 2.52 5.41 -0.19 -4.83 119.36 115.10 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 0.67 -0.37 -0.16 0.00 -0.71 0.00 0.00 39.64 39.07 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 -4.21 3.42 -0.21 4.38 0.15 -1.16 -4.92 113.70 111.14 1a90 s SER 49 Ca 0.00 -1.01 -0.04 0.00 0.70 0.00 0.00 55.95 55.60 1a90 s SER 49 Cb 0.00 -0.92 0.07 0.00 -1.71 0.00 0.00 66.02 63.46 1a90 s SER 49 CO 0.00 -0.26 0.08 0.00 1.20 0.00 0.00 173.24 174.25 1a90 s ALA 50 N 1.60 0.73 0.07 5.45 0.00 -1.24 0.10 121.76 128.47 1a90 s ALA 50 Ca -0.04 -0.66 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 1a90 s ALA 50 Cb -0.18 -1.18 0.09 0.00 0.00 0.00 0.00 23.12 21.85 1a90 s ALA 50 CO -0.07 -1.29 1.12 -1.59 0.00 0.00 0.00 175.76 173.94 1a90 s LYS 51 N 2.00 0.81 -0.61 0.00 -2.85 -0.55 -2.44 119.74 116.11 1a90 s LYS 51 Ca 0.03 -0.45 0.01 0.00 -1.00 0.00 0.00 55.97 54.56 1a90 s LYS 51 Cb -0.16 0.27 0.15 0.00 -2.06 0.00 0.00 37.83 36.03 1a90 s LYS 51 CO -0.14 -0.37 0.39 -0.98 0.10 0.00 0.00 175.35 174.34 1a90 s ARG 52 N -2.82 2.35 0.97 1.78 1.70 -0.03 -1.18 118.95 121.71 1a90 s ARG 52 Ca 0.14 -2.71 -0.12 0.00 -0.47 0.00 0.00 55.73 52.56 1a90 s ARG 52 Cb 0.02 -3.53 0.09 0.00 -0.57 0.00 0.00 34.95 30.96 1a90 s ARG 52 CO -0.01 -1.16 0.65 0.94 -1.08 0.00 0.00 175.30 174.64 1a90 n GLN 53 N 3.07 -0.60 -3.89 3.89 7.27 0.48 -3.56 117.38 124.05 1a90 n GLN 53 Ca 0.09 -0.13 -0.30 0.00 0.07 0.00 0.00 57.00 56.73 1a90 n GLN 53 Cb 0.35 -2.03 -0.15 0.00 2.41 0.00 0.00 30.24 30.81 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 -3.28 2.82 -0.40 1.69 2.96 -1.26 -1.55 118.68 119.67 1a90 s LEU 54 Ca 0.61 -1.45 0.12 0.00 -0.22 0.00 0.00 54.13 53.19 1a90 s LEU 54 Cb -0.21 -1.16 0.39 0.00 0.50 0.00 0.00 46.19 45.71 1a90 s LEU 54 CO 0.64 -0.31 0.87 0.52 -1.32 0.00 0.00 176.35 176.76 1a90 n VAL 55 N 4.66 1.01 0.00 1.68 0.31 -1.26 -4.85 118.33 119.88 1a90 n VAL 55 Ca -0.07 -4.36 0.00 0.00 -0.01 0.00 0.00 64.34 59.91 1a90 n VAL 55 Cb 0.43 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 1a90 n VAL 55 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1a90 n SER 56 N 0.01 0.00 -4.57 4.52 3.41 -1.26 -4.86 113.62 110.86 1a90 n SER 56 Ca 0.23 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.58 1a90 n SER 56 Cb 0.66 0.00 -0.09 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 1.73 0.50 5.00 0.00 -1.26 -4.96 107.32 108.33 1a90 s GLY 57 Ca 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 44.72 43.08 1a90 s GLY 57 CO 0.00 -1.52 0.94 -0.42 0.00 0.00 0.00 173.10 172.10 1a90 s ILE 58 N -1.77 4.62 -0.13 0.90 1.09 -0.83 -4.56 121.20 120.51 1a90 s ILE 58 Ca 0.25 1.03 0.02 0.00 -1.10 0.00 0.00 60.65 60.86 1a90 s ILE 58 Cb -0.08 -3.74 0.01 0.00 -1.06 0.00 0.00 42.46 37.58 1a90 s ILE 58 CO 0.15 -0.71 -0.21 -0.54 -0.10 0.00 0.00 174.94 173.53 1a90 s LYS 59 N -4.17 2.87 -0.85 2.79 1.02 -0.59 -1.16 119.74 119.66 1a90 s LYS 59 Ca 0.57 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 55.59 1a90 s LYS 59 Cb -0.10 -2.32 0.18 0.00 -0.52 0.00 0.00 37.83 35.07 1a90 s LYS 59 CO 0.34 -0.01 0.89 0.71 -0.92 0.00 0.00 175.35 176.36 1a90 s TYR 60 N 0.80 3.49 -0.07 3.18 1.51 0.28 -0.38 117.35 126.15 1a90 s TYR 60 Ca -0.08 -1.71 -0.21 0.00 -1.01 0.00 0.00 57.07 54.06 1a90 s TYR 60 Cb -0.16 -3.99 -0.04 0.00 -0.11 0.00 0.00 41.96 37.66 1a90 s TYR 60 CO -0.01 -1.18 0.60 0.42 -1.11 0.00 0.00 175.55 174.27 1a90 s ILE 61 N 1.22 5.07 0.01 2.71 -1.09 -0.33 -1.38 121.20 127.42 1a90 s ILE 61 Ca 0.22 1.24 0.02 0.00 -2.23 0.00 0.00 60.65 59.90 1a90 s ILE 61 Cb -0.09 -3.94 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1a90 s ILE 61 CO -0.08 0.31 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.64 1a90 s LEU 62 N 0.56 2.10 -0.14 2.97 1.98 0.59 -1.48 118.68 125.25 1a90 s LEU 62 Ca 0.32 -0.27 -0.16 0.00 -2.89 0.00 0.00 54.13 51.13 1a90 s LEU 62 Cb -0.17 -0.30 0.04 0.00 0.66 0.00 0.00 46.19 46.42 1a90 s LEU 62 CO 0.15 -0.01 0.44 -1.10 -1.89 0.00 0.00 176.35 173.94 1a90 s GLN 63 N -0.65 0.56 -0.28 1.98 -0.21 0.29 -0.95 119.66 120.40 1a90 s GLN 63 Ca -0.01 0.51 -0.24 0.00 0.02 0.00 0.00 55.36 55.64 1a90 s GLN 63 Cb -0.05 0.27 0.13 0.00 1.00 0.00 0.00 33.01 34.35 1a90 s GLN 63 CO 0.00 -0.09 1.04 0.14 -2.12 0.00 0.00 175.29 174.27 1a90 s VAL 64 N 0.00 0.00 -1.38 1.09 -7.23 -0.84 -1.03 120.40 111.01 1a90 s VAL 64 Ca -0.02 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 59.99 1a90 s VAL 64 Cb -0.03 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 35.96 1a90 s VAL 64 CO 0.01 0.00 1.99 -0.62 -0.31 0.00 0.00 175.10 176.17 1a90 n GLU 65 N 2.29 3.02 -1.02 4.82 1.02 -1.23 -1.83 120.64 127.71 1a90 n GLU 65 Ca -0.13 -2.94 -0.36 0.00 -0.02 0.00 0.00 57.16 53.72 1a90 n GLU 65 Cb 0.56 -3.39 0.03 0.00 -0.02 0.00 0.00 31.44 28.62 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 5.72 0.00 -3.66 -3.67 2.08 0.18 -4.14 119.36 115.88 1a90 n ILE 66 Ca 0.50 -0.49 -0.02 0.00 0.56 0.00 0.00 62.75 63.31 1a90 n ILE 66 Cb 0.42 0.00 -0.01 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 -0.98 -0.34 0.00 7.39 0.00 -0.92 -1.81 107.32 110.67 1a90 s GLY 67 Ca 0.42 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.73 1a90 s GLY 67 CO 0.78 0.13 0.00 0.54 0.00 0.00 0.00 173.10 174.55 1a90 n ARG 68 N -0.42 -1.36 -2.09 2.90 5.12 -1.26 -2.27 116.66 117.28 1a90 n ARG 68 Ca -0.07 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.52 1a90 n ARG 68 Cb 0.61 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.88 1a90 n ARG 68 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1a90 s THR 69 N -3.00 3.44 -0.06 0.55 -1.32 -0.84 -2.66 115.64 111.76 1a90 s THR 69 Ca 0.00 -0.11 -0.22 0.00 -1.21 0.00 0.00 61.69 60.16 1a90 s THR 69 Cb 0.00 -4.07 -0.17 0.00 -1.51 0.00 0.00 72.50 66.75 1a90 s THR 69 CO 0.00 -1.02 0.87 0.00 -2.21 0.00 0.00 174.62 172.26 1a90 h THR 70 N 7.02 0.99 -0.73 5.08 1.03 0.02 -2.78 112.91 123.53 1a90 h THR 70 Ca -0.07 -1.26 -0.69 0.00 -0.01 0.00 0.00 66.41 64.38 1a90 h THR 70 Cb 1.08 1.68 -0.03 0.00 -1.07 0.00 0.00 68.15 69.81 1a90 h THR 70 CO 1.23 0.26 1.41 0.00 -0.01 0.00 0.00 175.52 178.41 1a90 n PRO 72 N 8.03 -0.71 -0.02 0.00 -0.04 -1.26 -4.55 135.00 136.44 1a90 n PRO 72 Ca 0.46 -0.57 -0.02 0.00 -0.04 0.00 0.00 63.50 63.33 1a90 n PRO 72 Cb 0.15 -0.42 -0.01 0.00 -0.04 0.00 0.00 33.50 33.18 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 -2.00 0.10 0.00 0.54 5.02 -1.26 -4.86 118.16 115.70 1a90 n LYS 73 Ca 0.05 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1a90 n LYS 73 Cb 0.17 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 1a90 n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1a90 n SER 74 N -2.86 0.00 -2.06 4.39 2.88 -1.26 -4.06 113.62 110.66 1a90 n SER 74 Ca -0.03 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.26 1a90 n SER 74 Cb 0.09 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.65 1a90 n SER 74 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1a90 n SER 75 N 4.25 5.65 -3.27 -3.46 3.41 -1.26 -4.97 113.62 113.96 1a90 n SER 75 Ca 0.00 -3.76 -0.19 0.00 -0.26 0.00 0.00 58.87 54.66 1a90 n SER 75 Cb 0.00 -0.75 0.02 0.00 -0.26 0.00 0.00 64.21 63.22 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 -0.93 -0.37 0.00 5.00 0.00 -1.26 -4.98 105.19 102.65 1a90 n GLY 76 Ca 0.53 0.70 0.00 0.00 0.00 0.00 0.00 46.02 47.25 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 0.41 0.00 0.00 1.61 -0.08 -1.26 -5.09 116.55 112.14 1a90 n ASP 77 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1a90 n ASP 77 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1a90 n LEU 78 N 0.00 0.00 -4.10 -2.67 4.32 -1.26 -5.09 117.00 108.20 1a90 n LEU 78 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 1a90 n LEU 78 Cb 0.00 0.02 -0.16 0.00 -1.62 0.00 0.00 43.42 41.66 1a90 n LEU 78 CO 0.00 -0.49 -0.51 -1.58 -1.22 0.00 0.00 177.39 173.58 1a90 s GLN 79 N -0.99 2.60 0.00 3.23 2.00 -1.26 -4.90 119.66 120.34 1a90 s GLN 79 Ca 0.00 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 52.67 1a90 s GLN 79 Cb 0.00 -2.19 0.00 0.00 0.80 0.00 0.00 33.01 31.62 1a90 s GLN 79 CO 0.00 -0.09 0.00 0.45 -0.50 0.00 0.00 175.29 175.15 1a90 n SER 80 N 4.29 0.00 -4.47 6.67 2.88 -1.26 -5.12 113.62 116.62 1a90 n SER 80 Ca -0.19 0.00 -0.54 0.00 -1.33 0.00 0.00 58.87 56.81 1a90 n SER 80 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a90 s GLU 82 N -0.44 1.67 0.00 0.00 2.56 -1.26 -4.96 118.70 116.28 1a90 s GLU 82 Ca 0.78 -1.78 0.00 0.00 0.00 0.00 0.00 54.97 53.97 1a90 s GLU 82 Cb -1.09 0.36 0.00 0.00 2.00 0.00 0.00 34.13 35.40 1a90 s GLU 82 CO 0.56 -0.64 0.00 0.34 -0.56 0.00 0.00 175.26 174.96 1a90 n PHE 83 N -0.51 0.00 -3.16 5.30 7.35 -1.26 -2.07 117.46 123.12 1a90 n PHE 83 Ca 0.03 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.55 1a90 n PHE 83 Cb 0.63 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.43 1a90 n PHE 83 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1a90 n HIS 84 N 0.00 -0.07 -3.26 -5.13 1.44 -1.09 -0.17 115.22 106.95 1a90 n HIS 84 Ca 0.00 -3.69 -0.20 0.00 -2.01 0.00 0.00 57.72 51.82 1a90 n HIS 84 Cb 0.00 -0.27 0.06 0.00 0.12 0.00 0.00 29.99 29.90 1a90 n HIS 84 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1a90 n ASP 85 N 0.34 -5.66 -0.76 4.39 9.92 -1.26 -4.10 116.55 119.42 1a90 n ASP 85 Ca 0.23 -0.39 0.06 0.00 -0.53 0.00 0.00 54.79 54.17 1a90 n ASP 85 Cb 0.66 -4.35 -0.01 0.00 -0.64 0.00 0.00 41.12 36.77 1a90 n ASP 85 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1a90 n GLU 86 N -4.08 -0.86 0.09 -1.24 1.02 -1.26 -4.25 120.64 110.06 1a90 n GLU 86 Ca -0.03 0.57 -0.21 0.00 -0.02 0.00 0.00 57.16 57.47 1a90 n GLU 86 Cb 0.57 -1.05 -0.12 0.00 -0.02 0.00 0.00 31.44 30.82 1a90 n GLU 86 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1a90 h PRO 87 N 0.00 0.58 -1.15 3.49 0.13 -1.90 -3.12 132.00 130.03 1a90 h PRO 87 Ca 0.01 -0.77 0.33 0.00 -0.87 0.00 0.00 66.00 64.70 1a90 h PRO 87 Cb 0.39 0.25 -0.05 0.00 0.13 0.00 0.00 31.00 31.73 1a90 h PRO 87 CO 0.00 1.34 1.07 -1.91 -0.23 0.00 0.00 178.00 178.28 1a90 n GLU 88 N -3.77 0.01 -2.70 0.86 2.13 -1.26 -1.88 120.64 114.03 1a90 n GLU 88 Ca -0.13 0.86 -0.07 0.00 0.66 0.00 0.00 57.16 58.48 1a90 n GLU 88 Cb 0.98 -2.07 0.11 0.00 0.27 0.00 0.00 31.44 30.72 1a90 n GLU 88 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1a90 n LEU 89 N -3.15 -1.87 -3.12 4.31 -0.00 -1.25 -5.01 117.00 106.91 1a90 n LEU 89 Ca 0.26 -3.34 -0.24 0.00 -0.00 0.00 0.00 56.01 52.69 1a90 n LEU 89 Cb 1.42 0.12 -0.05 0.00 -0.00 0.00 0.00 43.42 44.91 1a90 n LEU 89 CO 0.26 1.85 -0.03 0.00 -0.00 0.00 0.00 177.39 179.47 1a90 n ALA 90 N -0.56 3.49 -0.94 1.47 0.00 -0.79 -4.81 120.51 118.37 1a90 n ALA 90 Ca -0.04 -4.16 -0.01 0.00 0.00 0.00 0.00 53.44 49.23 1a90 n ALA 90 Cb 0.83 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.25 -0.85 -4.10 0.00 5.02 -1.26 -4.90 118.16 112.31 1a90 n LYS 91 Ca 0.28 -0.10 -0.15 0.00 -2.02 0.00 0.00 58.31 56.32 1a90 n LYS 91 Cb 0.50 -0.16 -0.05 0.00 -0.02 0.00 0.00 35.03 35.29 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 -0.81 1.09 -0.02 2.13 1.51 -1.26 -4.85 117.35 115.14 1a90 s TYR 92 Ca 0.05 -1.30 0.07 0.00 -1.01 0.00 0.00 57.07 54.88 1a90 s TYR 92 Cb -0.01 -0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 41.68 1a90 s TYR 92 CO 0.04 -1.08 -0.23 -0.08 -1.11 0.00 0.00 175.55 173.09 1a90 s THR 93 N -3.19 1.80 -0.55 -0.71 -1.32 -0.75 -4.88 115.64 106.02 1a90 s THR 93 Ca 0.31 -0.97 -0.23 0.00 -1.21 0.00 0.00 61.69 59.59 1a90 s THR 93 Cb 0.00 -1.49 0.05 0.00 -1.51 0.00 0.00 72.50 69.55 1a90 s THR 93 CO 0.20 0.51 0.90 -0.89 -2.21 0.00 0.00 174.62 173.13 1a90 s THR 94 N -0.53 4.45 0.01 5.08 2.01 -1.26 0.48 115.64 125.88 1a90 s THR 94 Ca 0.09 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.26 1a90 s THR 94 Cb -0.09 -4.52 -0.03 0.00 0.01 0.00 0.00 72.50 67.87 1a90 s THR 94 CO -0.01 -1.10 -0.12 0.00 -0.69 0.00 0.00 174.62 172.70 1a90 s THR 96 N -0.94 1.67 -0.13 0.00 2.01 -0.71 -2.00 115.64 115.54 1a90 s THR 96 Ca 0.15 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 1a90 s THR 96 Cb -0.11 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 1a90 s THR 96 CO 0.06 0.47 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.02 1a90 s PHE 97 N 0.23 2.92 -0.21 4.92 0.08 -0.13 -1.76 117.98 124.04 1a90 s PHE 97 Ca -0.11 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.59 1a90 s PHE 97 Cb -0.15 -1.86 0.05 0.00 -0.57 0.00 0.00 43.02 40.49 1a90 s PHE 97 CO 0.05 -0.02 -0.07 0.08 -0.10 0.00 0.00 175.22 175.15 1a90 s VAL 98 N 0.11 1.52 -0.11 -0.44 1.01 -0.20 -0.30 120.40 121.99 1a90 s VAL 98 Ca -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1a90 s VAL 98 Cb -0.14 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1a90 s VAL 98 CO 0.04 0.03 -0.12 -0.69 0.00 0.00 0.00 175.10 174.36 1a90 s VAL 99 N 1.42 1.29 0.15 2.92 1.01 -0.48 -0.77 120.40 125.94 1a90 s VAL 99 Ca -0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1a90 s VAL 99 Cb -0.17 -1.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.91 1a90 s VAL 99 CO -0.07 0.41 0.93 -0.47 0.00 0.00 0.00 175.10 175.89 1a90 s TYR 100 N 1.30 3.86 -0.26 5.22 5.04 -0.64 0.98 117.35 132.86 1a90 s TYR 100 Ca -0.01 1.80 -0.01 0.00 -2.44 0.00 0.00 57.07 56.40 1a90 s TYR 100 Cb -0.14 -3.00 0.08 0.00 0.35 0.00 0.00 41.96 39.26 1a90 s TYR 100 CO -0.05 0.30 0.06 -1.54 -1.34 0.00 0.00 175.55 172.98 1a90 s SER 101 N -0.41 3.62 -0.49 4.32 1.04 -0.31 -1.70 113.70 119.78 1a90 s SER 101 Ca 0.44 -1.30 -0.18 0.00 0.48 0.00 0.00 55.95 55.39 1a90 s SER 101 Cb -0.24 -0.80 0.06 0.00 0.10 0.00 0.00 66.02 65.14 1a90 s SER 101 CO 0.30 -0.36 0.56 -0.63 0.98 0.00 0.00 173.24 174.09 1a90 s ILE 102 N 1.68 4.97 0.01 -1.02 1.01 -0.81 -1.96 121.20 125.08 1a90 s ILE 102 Ca 0.04 -0.58 -0.25 0.00 0.00 0.00 0.00 60.65 59.86 1a90 s ILE 102 Cb -0.17 -4.24 -0.17 0.00 0.01 0.00 0.00 42.46 37.89 1a90 s ILE 102 CO -0.17 -0.72 1.30 1.55 0.00 0.00 0.00 174.94 176.90 1a90 h PRO 103 N 8.92 -0.33 0.00 2.79 0.13 -1.93 0.33 132.00 141.91 1a90 h PRO 103 Ca -0.28 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1a90 h PRO 103 Cb 1.10 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1a90 h PRO 103 CO 0.93 -0.02 0.05 -2.67 -0.23 0.00 0.00 178.00 176.06 1a90 n TRP 104 N -5.10 0.00 -1.16 1.56 2.14 -1.26 -1.64 117.44 111.97 1a90 n TRP 104 Ca -0.09 0.00 0.01 0.00 2.07 0.00 0.00 57.50 59.49 1a90 n TRP 104 Cb 0.24 -0.45 0.02 0.00 -0.81 0.00 0.00 31.31 30.32 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 -1.45 0.59 -3.79 5.67 -0.00 -1.12 -5.01 117.00 111.89 1a90 n LEU 105 Ca 0.00 -0.99 -0.24 0.00 -0.00 0.00 0.00 56.01 54.78 1a90 n LEU 105 Cb 0.05 -0.05 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1a90 n LEU 105 CO 0.00 0.24 -0.23 -3.20 -0.00 0.00 0.00 177.39 174.20 1a90 n ASN 106 N -0.25 -0.71 -4.05 1.96 5.15 0.10 -4.86 115.26 112.60 1a90 n ASN 106 Ca 0.02 -0.83 -0.33 0.00 -0.60 0.00 0.00 54.58 52.83 1a90 n ASN 106 Cb 0.54 -1.02 -0.13 0.00 -0.53 0.00 0.00 39.78 38.64 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1a90 s GLN 107 N -6.16 1.81 -0.12 1.20 -0.21 -0.50 -4.96 119.66 110.72 1a90 s GLN 107 Ca 0.13 -2.00 -0.07 0.00 0.02 0.00 0.00 55.36 53.43 1a90 s GLN 107 Cb -0.07 -3.40 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 1a90 s GLN 107 CO 0.64 -1.03 0.15 -1.50 -2.12 0.00 0.00 175.29 171.43 1a90 s ILE 108 N 0.76 5.49 -0.09 1.08 2.07 -1.26 -1.93 121.20 127.32 1a90 s ILE 108 Ca 0.11 0.23 -0.06 0.00 -1.41 0.00 0.00 60.65 59.51 1a90 s ILE 108 Cb -0.21 -3.41 0.03 0.00 0.13 0.00 0.00 42.46 39.00 1a90 s ILE 108 CO -0.05 0.60 0.23 -0.75 -1.91 0.00 0.00 174.94 173.06 1a90 s LYS 109 N -0.91 0.23 0.80 3.50 2.20 -0.69 -4.99 119.74 119.88 1a90 s LYS 109 Ca 0.15 0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 56.06 1a90 s LYS 109 Cb -0.12 -0.00 0.07 0.00 -1.51 0.00 0.00 37.83 36.27 1a90 s LYS 109 CO 0.04 -0.10 1.09 -1.17 -0.36 0.00 0.00 175.35 174.85 1a90 s LEU 110 N 0.69 2.66 0.00 5.43 2.96 -1.26 -1.62 118.68 127.54 1a90 s LEU 110 Ca -0.05 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.32 1a90 s LEU 110 Cb -0.06 -4.08 0.00 0.00 0.50 0.00 0.00 46.19 42.55 1a90 s LEU 110 CO -0.04 -2.04 0.00 0.18 -1.32 0.00 0.00 176.35 173.13 1a90 n LEU 111 N -3.49 0.00 -4.11 -0.68 4.32 0.05 -4.81 117.00 108.28 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 -0.01 0.00 -1.62 0.00 0.00 43.42 42.34 1a90 n LEU 111 CO 0.56 0.00 0.86 1.21 -1.22 0.00 0.00 177.39 178.79 1a90 n GLU 112 N -0.46 3.81 -3.80 3.23 2.13 -1.12 -4.87 120.64 119.56 1a90 n GLU 112 Ca 0.00 -4.52 -0.34 0.00 0.66 0.00 0.00 57.16 52.96 1a90 n GLU 112 Cb 0.00 -2.50 -0.11 0.00 0.27 0.00 0.00 31.44 29.10 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1a90 s SER 113 N -0.44 4.91 0.12 4.31 1.04 -1.23 -1.03 113.70 121.39 1a90 s SER 113 Ca 0.31 -2.92 -0.17 0.00 0.48 0.00 0.00 55.95 53.65 1a90 s SER 113 Cb -0.02 -1.78 0.04 0.00 0.10 0.00 0.00 66.02 64.36 1a90 s SER 113 CO 0.00 -0.32 0.42 -0.75 0.98 0.00 0.00 173.24 173.58 1a90 s LYS 114 N -0.16 1.08 -0.01 4.02 2.20 -0.72 -4.94 119.74 121.21 1a90 s LYS 114 Ca 0.17 -0.66 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1a90 s LYS 114 Cb -0.22 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 1a90 s LYS 114 CO -0.02 -0.42 -0.12 0.00 -0.36 0.00 0.00 175.35 174.42