#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 0.00 -1.98 4.61 0.00 -1.26 -5.16 120.51 116.72 1a90 n ALA 10 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1a90 n ALA 10 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.00 3.85 -0.03 0.00 0.04 -1.26 -4.56 135.00 131.04 1a90 s PRO 11 Ca 0.00 0.74 0.05 0.00 0.04 0.00 0.00 61.00 61.84 1a90 s PRO 11 Cb 0.00 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1a90 s PRO 11 CO 0.00 -0.21 -0.19 0.08 0.04 0.00 0.00 177.00 176.72 1a90 s VAL 12 N -2.58 2.65 0.53 -0.36 1.01 -1.25 -4.97 120.40 115.42 1a90 s VAL 12 Ca 0.55 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1a90 s VAL 12 Cb -0.10 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1a90 s VAL 12 CO 0.33 0.58 0.92 -2.16 0.00 0.00 0.00 175.10 174.77 1a90 s PRO 13 N -0.71 3.67 0.34 2.72 0.04 -1.26 -1.49 135.00 138.31 1a90 s PRO 13 Ca 0.11 0.59 0.07 0.00 0.04 0.00 0.00 61.00 61.82 1a90 s PRO 13 Cb -0.10 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1a90 s PRO 13 CO 0.00 -0.34 0.32 0.08 0.04 0.00 0.00 177.00 177.10 1a90 s VAL 14 N -2.84 3.55 0.07 -0.36 1.01 -1.13 -4.86 120.40 115.84 1a90 s VAL 14 Ca 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1a90 s VAL 14 Cb -0.11 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1a90 s VAL 14 CO 0.44 -0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.85 1a90 n ASP 15 N -1.42 2.04 -1.50 3.32 9.92 -1.26 -4.99 116.55 122.66 1a90 n ASP 15 Ca -0.01 -1.30 -0.02 0.00 -0.53 0.00 0.00 54.79 52.93 1a90 n ASP 15 Cb 0.60 0.06 0.01 0.00 -0.64 0.00 0.00 41.12 41.14 1a90 n ASP 15 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1a90 n GLU 16 N -0.16 1.10 -2.70 -1.24 1.02 -1.26 -3.74 120.64 113.65 1a90 n GLU 16 Ca -0.03 -0.19 -0.05 0.00 -0.02 0.00 0.00 57.16 56.87 1a90 n GLU 16 Cb 0.09 -1.08 0.10 0.00 -0.02 0.00 0.00 31.44 30.53 1a90 n GLU 16 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1a90 n ASN 17 N 1.25 -0.73 -3.54 1.62 4.13 -1.26 -5.02 115.26 111.71 1a90 n ASN 17 Ca 0.04 -2.38 -0.27 0.00 1.68 0.00 0.00 54.58 53.65 1a90 n ASN 17 Cb 0.52 0.45 -0.10 0.00 -1.54 0.00 0.00 39.78 39.11 1a90 n ASN 17 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1a90 n ASP 18 N -0.78 1.45 -0.61 6.41 9.92 -1.25 -4.94 116.55 126.76 1a90 n ASP 18 Ca -0.04 -2.87 0.46 0.00 -0.53 0.00 0.00 54.79 51.82 1a90 n ASP 18 Cb 0.85 -0.65 0.71 0.00 -0.64 0.00 0.00 41.12 41.39 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 2.01 0.00 0.20 -1.24 0.28 -1.26 0.11 120.64 120.73 1a90 n GLU 19 Ca 0.25 0.97 -0.14 0.00 -0.16 0.00 0.00 57.16 58.08 1a90 n GLU 19 Cb 0.43 -2.25 -0.08 0.00 1.43 0.00 0.00 31.44 30.98 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 -0.53 1.33 -1.84 0.00 -1.99 -1.42 103.07 98.62 1a90 h GLY 20 Ca 0.82 0.20 0.05 0.00 0.00 0.00 0.00 47.33 48.40 1a90 h GLY 20 CO -0.01 -0.19 0.33 -2.00 0.00 0.00 0.00 176.54 174.67 1a90 h LEU 21 N -0.81 0.41 -0.53 3.11 5.85 0.31 -0.87 115.31 122.77 1a90 h LEU 21 Ca -0.05 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1a90 h LEU 21 Cb 0.53 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1a90 h LEU 21 CO 0.09 0.27 0.20 1.56 -0.34 0.00 0.00 178.44 180.22 1a90 h GLN 22 N 0.47 0.81 0.00 1.25 4.20 -1.06 0.78 115.11 121.55 1a90 h GLN 22 Ca 0.21 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1a90 h GLN 22 Cb 0.24 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1a90 h GLN 22 CO -0.05 0.72 0.00 0.00 -0.67 0.00 0.00 178.83 178.82 1a90 h ARG 23 N 0.73 0.00 0.08 1.46 3.08 -0.07 -1.61 114.38 118.05 1a90 h ARG 23 Ca 0.18 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1a90 h ARG 23 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 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 2.18 -0.10 -0.63 0.04 0.00 -0.01 -2.12 119.26 118.61 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 0.29 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1a90 h ALA 24 CO 0.00 -0.13 0.29 1.25 0.00 0.00 0.00 179.25 180.66 1a90 h LEU 25 N -0.96 0.83 -1.70 0.00 7.12 -1.12 -1.82 115.31 117.66 1a90 h LEU 25 Ca -0.01 -0.14 -0.03 0.00 0.13 0.00 0.00 57.88 57.83 1a90 h LEU 25 Cb 0.49 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1a90 h LEU 25 CO 0.02 0.73 -0.14 1.56 -0.13 0.00 0.00 178.44 180.48 1a90 h GLN 26 N 0.86 0.00 0.21 1.25 1.08 -1.40 0.17 115.11 117.28 1a90 h GLN 26 Ca 0.21 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1a90 h GLN 26 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1a90 h GLN 26 CO -0.03 0.14 -0.10 0.35 -0.95 0.00 0.00 178.83 178.25 1a90 h PHE 27 N 0.00 -0.26 0.23 2.96 3.57 -0.63 -2.16 116.94 120.65 1a90 h PHE 27 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1a90 h PHE 27 Cb 0.45 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1a90 h PHE 27 CO 0.00 0.06 -0.11 0.00 -2.23 0.00 0.00 178.31 176.03 1a90 h ALA 28 N -0.67 -0.31 -0.85 2.41 0.00 -1.41 -2.78 119.26 115.65 1a90 h ALA 28 Ca -0.03 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.87 1a90 h ALA 28 Cb 0.43 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.23 1a90 h ALA 28 CO 0.05 -0.38 0.36 0.97 0.00 0.00 0.00 179.25 180.24 1a90 h ILE 29 N -0.89 0.54 -0.67 0.00 6.09 0.77 1.08 117.51 124.43 1a90 h ILE 29 Ca -0.03 -0.14 0.14 0.00 -1.37 0.00 0.00 64.86 63.45 1a90 h ILE 29 Cb 0.50 0.08 -0.10 0.00 0.47 0.00 0.00 36.82 37.77 1a90 h ILE 29 CO 0.05 0.08 0.13 0.00 -3.07 0.00 0.00 178.15 175.34 1a90 h ALA 30 N 1.66 0.81 -0.13 0.18 0.00 -1.33 0.59 119.26 121.04 1a90 h ALA 30 Ca 0.51 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.52 1a90 h ALA 30 Cb 0.91 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1a90 h ALA 30 CO -0.49 -0.34 -0.19 1.05 0.00 0.00 0.00 179.25 179.28 1a90 h GLU 31 N 0.24 0.21 0.00 0.00 -0.00 0.14 -2.27 114.58 112.91 1a90 h GLU 31 Ca 0.37 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.36 59.67 1a90 h GLU 31 Cb 0.59 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.32 1a90 h GLU 31 CO -0.48 0.40 -0.00 -0.92 -0.00 0.00 0.00 179.01 178.01 1a90 h TYR 32 N 0.19 -0.01 0.03 2.06 3.20 0.19 0.42 116.97 123.06 1a90 h TYR 32 Ca 0.04 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1a90 h TYR 32 Cb 0.45 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1a90 h TYR 32 CO 0.01 0.06 -0.10 -0.97 -1.64 0.00 0.00 178.16 175.51 1a90 h ASN 33 N -0.07 -0.30 0.49 -2.11 -0.73 -1.06 0.66 115.58 112.47 1a90 h ASN 33 Ca -0.00 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1a90 h ASN 33 Cb 0.06 0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.77 1a90 h ASN 33 CO 0.00 -0.15 0.00 -0.09 -0.37 0.00 0.00 177.43 176.82 1a90 h ARG 34 N -0.19 0.00 0.00 6.67 1.12 -1.22 -1.46 114.38 119.30 1a90 h ARG 34 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1a90 h ARG 34 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 1a90 h ARG 34 CO -0.08 0.00 -0.05 0.00 -3.11 0.00 0.00 179.97 176.73 1a90 h ALA 35 N 2.16 0.97 0.00 2.80 0.00 0.22 -3.16 119.26 122.25 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 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1a90 h ALA 35 CO 0.00 0.00 -0.97 1.03 0.00 0.00 0.00 179.25 179.31 1a90 h SER 36 N 0.00 0.00 -1.40 0.00 0.87 -0.71 -3.51 113.55 108.81 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 0.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 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 -2.69 -0.85 0.00 6.23 3.02 -1.19 -3.55 115.26 116.22 1a90 n ASN 37 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1a90 n ASN 37 Cb 0.55 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.17 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 -0.27 0.00 -0.18 6.41 -0.08 -1.26 -3.52 116.55 117.65 1a90 n ASP 38 Ca 0.00 0.32 -0.01 0.00 -1.51 0.00 0.00 54.79 53.59 1a90 n ASP 38 Cb 0.00 -0.42 0.06 0.00 2.34 0.00 0.00 41.12 43.10 1a90 n ASP 38 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1a90 h LYS 39 N 0.00 0.05 0.00 -0.67 1.57 -1.98 -3.32 116.57 112.23 1a90 h LYS 39 Ca 0.00 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1a90 h LYS 39 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1a90 h LYS 39 CO 0.00 0.04 0.32 0.66 -0.57 0.00 0.00 179.45 179.90 1a90 n TYR 40 N -5.32 -1.26 -4.10 -1.35 4.01 -1.23 -4.73 117.16 103.18 1a90 n TYR 40 Ca 0.06 -0.89 -0.32 0.00 -0.16 0.00 0.00 57.90 56.60 1a90 n TYR 40 Cb 0.30 0.43 -0.07 0.00 -0.31 0.00 0.00 39.34 39.69 1a90 n TYR 40 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a90 s SER 41 N -2.48 5.56 0.16 7.72 0.15 -1.03 -4.58 113.70 119.21 1a90 s SER 41 Ca 0.13 0.07 0.10 0.00 0.70 0.00 0.00 55.95 56.95 1a90 s SER 41 Cb -0.02 -1.54 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 1a90 s SER 41 CO 0.04 0.23 -0.21 -0.55 1.20 0.00 0.00 173.24 173.95 1a90 s SER 42 N -1.98 3.64 0.25 5.45 0.15 -1.26 -0.20 113.70 119.74 1a90 s SER 42 Ca 0.25 -0.72 -0.16 0.00 0.70 0.00 0.00 55.95 56.02 1a90 s SER 42 Cb -0.12 -0.39 0.06 0.00 -1.71 0.00 0.00 66.02 63.86 1a90 s SER 42 CO 0.17 0.15 0.80 0.54 1.20 0.00 0.00 173.24 176.09 1a90 n ARG 43 N 0.53 0.77 0.00 5.44 1.74 -0.96 -4.52 116.66 119.66 1a90 n ARG 43 Ca -0.14 -1.60 0.00 0.00 -0.77 0.00 0.00 57.85 55.33 1a90 n ARG 43 Cb 0.54 2.07 0.00 0.00 -1.02 0.00 0.00 32.46 34.05 1a90 n ARG 43 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1a90 n VAL 44 N -0.55 0.00 0.00 1.55 3.14 -1.26 -1.38 118.33 119.83 1a90 n VAL 44 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1a90 n VAL 44 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 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 -2.62 0.00 -3.41 1.55 0.31 -1.10 -3.26 118.33 109.80 1a90 n VAL 45 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1a90 n VAL 45 Cb 0.00 0.00 -0.11 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 0.72 0.79 5.55 3.52 -0.51 -4.97 118.95 124.04 1a90 s ARG 46 Ca 0.00 -1.63 -0.14 0.00 -0.13 0.00 0.00 55.73 53.83 1a90 s ARG 46 Cb 0.00 -1.27 0.05 0.00 -1.56 0.00 0.00 34.95 32.16 1a90 s ARG 46 CO 0.00 -1.29 1.02 0.28 -0.81 0.00 0.00 175.30 174.50 1a90 n VAL 47 N 3.51 2.08 0.00 7.11 0.31 -1.26 -1.35 118.33 128.73 1a90 n VAL 47 Ca 0.20 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1a90 n VAL 47 Cb 0.43 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 -3.03 0.00 -3.71 2.52 5.41 -1.24 -4.79 119.36 114.52 1a90 n ILE 48 Ca 0.13 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.78 1a90 n ILE 48 Cb 0.50 -0.24 -0.05 0.00 -0.71 0.00 0.00 39.64 39.15 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 -2.45 -0.19 -0.30 4.38 0.15 -1.26 -4.90 113.70 109.13 1a90 s SER 49 Ca 0.00 -0.43 -0.07 0.00 0.70 0.00 0.00 55.95 56.15 1a90 s SER 49 Cb 0.00 0.49 0.19 0.00 -1.71 0.00 0.00 66.02 64.99 1a90 s SER 49 CO 0.00 -0.90 0.93 0.00 1.20 0.00 0.00 173.24 174.47 1a90 s ALA 50 N -3.84 -3.68 0.11 5.45 0.00 -1.24 -1.65 121.76 116.90 1a90 s ALA 50 Ca 0.06 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 1a90 s ALA 50 Cb 0.01 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1a90 s ALA 50 CO -0.08 -2.09 0.05 0.15 0.00 0.00 0.00 175.76 173.79 1a90 s LYS 51 N 2.78 0.85 -0.50 0.00 1.02 -0.50 -2.84 119.74 120.55 1a90 s LYS 51 Ca 0.22 -1.33 0.03 0.00 0.02 0.00 0.00 55.97 54.91 1a90 s LYS 51 Cb -0.03 0.25 0.14 0.00 -0.52 0.00 0.00 37.83 37.67 1a90 s LYS 51 CO -0.22 -0.23 0.29 1.03 -0.92 0.00 0.00 175.35 175.30 1a90 s ARG 52 N -3.99 1.63 0.60 1.68 0.52 -0.55 -1.29 118.95 117.53 1a90 s ARG 52 Ca 0.18 -2.39 -0.18 0.00 -0.52 0.00 0.00 55.73 52.82 1a90 s ARG 52 Cb 0.07 -2.69 -0.08 0.00 0.52 0.00 0.00 34.95 32.77 1a90 s ARG 52 CO -0.02 -1.19 0.53 1.04 0.02 0.00 0.00 175.30 175.67 1a90 n GLN 53 N 3.12 0.48 -3.85 3.54 6.02 0.51 -3.94 117.38 123.27 1a90 n GLN 53 Ca 0.11 0.19 -0.33 0.00 -0.01 0.00 0.00 57.00 56.97 1a90 n GLN 53 Cb 0.35 -1.73 -0.12 0.00 1.02 0.00 0.00 30.24 29.77 1a90 n GLN 53 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1a90 s LEU 54 N 0.58 4.74 0.00 1.08 1.43 -1.26 -1.62 118.68 123.64 1a90 s LEU 54 Ca 0.68 -3.05 0.00 0.00 -1.03 0.00 0.00 54.13 50.73 1a90 s LEU 54 Cb -0.43 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1a90 s LEU 54 CO 0.55 -0.27 0.00 0.55 0.23 0.00 0.00 176.35 177.41 1a90 n VAL 55 N 3.13 0.00 -0.49 -1.59 3.14 -1.26 -4.90 118.33 116.35 1a90 n VAL 55 Ca 0.08 0.00 0.43 0.00 -2.96 0.00 0.00 64.34 61.89 1a90 n VAL 55 Cb 0.35 0.00 0.71 0.00 -1.06 0.00 0.00 33.84 33.84 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 -5.42 6.55 4.64 -2.02 -3.40 113.55 113.90 1a90 h SER 56 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1a90 h SER 56 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1a90 h SER 56 CO 0.00 0.00 -0.34 -0.83 -0.87 0.00 0.00 176.83 174.79 1a90 s GLY 57 N -3.77 1.03 0.10 -0.77 0.00 -1.26 -5.00 107.32 97.64 1a90 s GLY 57 Ca -0.04 -1.30 -0.21 0.00 0.00 0.00 0.00 44.72 43.17 1a90 s GLY 57 CO 0.76 -1.00 0.63 -0.42 0.00 0.00 0.00 173.10 173.07 1a90 s ILE 58 N -4.00 4.63 -0.18 0.90 1.09 -0.89 -4.55 121.20 118.21 1a90 s ILE 58 Ca 0.30 1.35 -0.06 0.00 -1.10 0.00 0.00 60.65 61.15 1a90 s ILE 58 Cb 0.03 -3.97 -0.03 0.00 -1.06 0.00 0.00 42.46 37.43 1a90 s ILE 58 CO 0.11 0.54 0.01 -0.54 -0.10 0.00 0.00 174.94 174.97 1a90 s LYS 59 N -1.13 3.76 -0.75 2.79 1.02 -0.64 -0.38 119.74 124.42 1a90 s LYS 59 Ca 0.31 -0.46 -0.17 0.00 0.02 0.00 0.00 55.97 55.67 1a90 s LYS 59 Cb -0.21 -3.09 0.15 0.00 -0.52 0.00 0.00 37.83 34.17 1a90 s LYS 59 CO 0.21 0.17 0.82 0.71 -0.92 0.00 0.00 175.35 176.33 1a90 s TYR 60 N 0.61 3.30 -0.34 3.18 1.51 0.16 -0.36 117.35 125.41 1a90 s TYR 60 Ca 0.00 -1.44 -0.16 0.00 -1.01 0.00 0.00 57.07 54.46 1a90 s TYR 60 Cb -0.14 -4.00 -0.01 0.00 -0.11 0.00 0.00 41.96 37.70 1a90 s TYR 60 CO 0.02 -1.22 0.41 0.42 -1.11 0.00 0.00 175.55 174.07 1a90 s ILE 61 N 1.76 5.12 0.15 2.71 -1.09 -0.41 -1.29 121.20 128.14 1a90 s ILE 61 Ca 0.18 0.14 0.08 0.00 -2.23 0.00 0.00 60.65 58.83 1a90 s ILE 61 Cb -0.15 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1a90 s ILE 61 CO -0.03 -0.13 -0.18 -0.22 -1.23 0.00 0.00 174.94 173.14 1a90 s LEU 62 N 2.14 2.41 0.18 2.97 0.20 -0.23 -1.40 118.68 124.95 1a90 s LEU 62 Ca 0.14 -0.83 0.10 0.00 0.69 0.00 0.00 54.13 54.23 1a90 s LEU 62 Cb -0.16 -0.82 -0.04 0.00 -0.43 0.00 0.00 46.19 44.73 1a90 s LEU 62 CO 0.12 -0.02 -0.20 -1.10 -0.29 0.00 0.00 176.35 174.86 1a90 s GLN 63 N -2.62 1.38 -0.30 1.98 -1.52 -0.66 -1.48 119.66 116.43 1a90 s GLN 63 Ca 0.14 -1.47 0.01 0.00 -1.95 0.00 0.00 55.36 52.09 1a90 s GLN 63 Cb -0.06 -1.52 0.19 0.00 -0.22 0.00 0.00 33.01 31.40 1a90 s GLN 63 CO 0.06 0.31 0.62 0.14 -0.25 0.00 0.00 175.29 176.17 1a90 s VAL 64 N -1.96 -0.96 -0.92 1.09 -7.23 0.32 -3.66 120.40 107.07 1a90 s VAL 64 Ca 0.18 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.11 1a90 s VAL 64 Cb -0.06 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 1a90 s VAL 64 CO 0.08 0.00 1.90 -1.61 -0.31 0.00 0.00 175.10 175.16 1a90 s GLU 65 N 2.85 2.65 0.15 4.82 2.02 -0.46 -1.82 118.70 128.93 1a90 s GLU 65 Ca 0.16 -0.39 -0.26 0.00 0.02 0.00 0.00 54.97 54.50 1a90 s GLU 65 Cb -0.13 -5.10 -0.07 0.00 0.10 0.00 0.00 34.13 28.93 1a90 s GLU 65 CO -0.23 -3.28 0.82 0.42 0.02 0.00 0.00 175.26 173.01 1a90 s ILE 66 N 9.62 4.40 0.00 -1.63 1.01 0.75 -1.43 121.20 133.92 1a90 s ILE 66 Ca 0.68 1.78 0.00 0.00 0.00 0.00 0.00 60.65 63.11 1a90 s ILE 66 Cb -0.06 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1a90 s ILE 66 CO -0.01 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1a90 n GLY 67 N 1.77 6.52 1.68 6.18 0.00 -0.48 -0.52 105.19 120.35 1a90 n GLY 67 Ca -0.04 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 1.34 -3.17 1.61 1.74 -1.26 -2.27 116.66 114.65 1a90 n ARG 68 Ca 0.00 -1.64 0.02 0.00 -0.77 0.00 0.00 57.85 55.46 1a90 n ARG 68 Cb 0.00 0.36 -0.01 0.00 -1.02 0.00 0.00 32.46 31.80 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 -1.64 -0.94 0.00 0.55 -1.32 0.73 -3.62 115.64 109.39 1a90 s THR 69 Ca 0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1a90 s THR 69 Cb -0.00 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 1a90 s THR 69 CO 0.03 0.00 0.00 1.07 -2.21 0.00 0.00 174.62 173.51 1a90 n THR 70 N 4.77 0.00 -2.46 5.08 5.66 0.42 -2.45 114.28 125.29 1a90 n THR 70 Ca 0.09 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.87 1a90 n THR 70 Cb 0.56 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.36 1a90 n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a90 n PRO 72 N -0.03 -0.34 0.00 0.00 -0.04 -1.26 -4.32 135.00 129.01 1a90 n PRO 72 Ca -0.05 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1a90 n PRO 72 Cb 0.40 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 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 -1.76 0.00 0.00 0.54 4.81 -1.25 -4.45 118.16 116.05 1a90 n LYS 73 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1a90 n LYS 73 Cb 0.16 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 34.90 1a90 n LYS 73 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a90 n SER 74 N 0.56 0.00 -1.45 3.14 3.41 -1.26 -4.58 113.62 113.45 1a90 n SER 74 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1a90 n SER 74 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1a90 n SER 74 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a90 n SER 75 N 2.30 -2.60 0.00 4.04 2.88 -1.26 -1.32 113.62 117.66 1a90 n SER 75 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1a90 n SER 75 Cb 0.00 -2.52 0.00 0.00 -0.75 0.00 0.00 64.21 60.94 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a90 n GLY 76 N -0.26 0.97 0.80 0.46 0.00 -1.26 -2.94 105.19 102.96 1a90 n GLY 76 Ca -0.10 0.48 0.03 0.00 0.00 0.00 0.00 46.02 46.43 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 3.43 2.18 0.00 1.61 9.92 -1.26 -4.94 116.55 127.49 1a90 n ASP 77 Ca 0.00 -2.21 0.00 0.00 -0.53 0.00 0.00 54.79 52.05 1a90 n ASP 77 Cb 0.00 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 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 0.21 0.00 -1.32 0.64 4.32 -0.43 -4.89 117.00 115.53 1a90 n LEU 78 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1a90 n LEU 78 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1a90 n LEU 78 CO 0.09 0.00 -0.29 1.67 -1.22 0.00 0.00 177.39 177.64 1a90 n GLN 79 N 0.00 -3.35 -3.81 3.23 7.27 -1.26 -4.65 117.38 114.82 1a90 n GLN 79 Ca 0.00 2.49 -0.27 0.00 0.07 0.00 0.00 57.00 59.29 1a90 n GLN 79 Cb 0.00 -2.60 0.04 0.00 2.41 0.00 0.00 30.24 30.09 1a90 n GLN 79 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1a90 n SER 80 N 0.69 -4.11 -4.27 1.69 7.64 -1.26 -4.97 113.62 109.03 1a90 n SER 80 Ca 0.00 -0.75 -0.33 0.00 1.01 0.00 0.00 58.87 58.80 1a90 n SER 80 Cb 0.00 -4.13 -0.16 0.00 -1.01 0.00 0.00 64.21 58.92 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a90 s GLU 82 N 0.47 1.19 0.00 0.00 2.56 -1.26 -4.94 118.70 116.72 1a90 s GLU 82 Ca -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 54.97 53.43 1a90 s GLU 82 Cb -0.17 0.32 0.00 0.00 2.00 0.00 0.00 34.13 36.29 1a90 s GLU 82 CO 0.05 -0.41 0.00 1.19 -0.56 0.00 0.00 175.26 175.53 1a90 n PHE 83 N -0.24 0.00 -3.17 5.30 3.01 -1.24 0.16 117.46 121.28 1a90 n PHE 83 Ca -0.02 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.24 1a90 n PHE 83 Cb 0.64 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.07 1a90 n PHE 83 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1a90 n HIS 84 N 0.00 0.52 -1.32 1.38 8.25 -1.26 -1.87 115.22 120.92 1a90 n HIS 84 Ca 0.00 -3.81 -0.12 0.00 -0.26 0.00 0.00 57.72 53.52 1a90 n HIS 84 Cb 0.00 -0.42 -0.05 0.00 1.12 0.00 0.00 29.99 30.64 1a90 n HIS 84 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1a90 n ASP 85 N 0.37 -3.83 0.00 0.41 2.03 -1.26 -4.72 116.55 109.55 1a90 n ASP 85 Ca 0.25 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1a90 n ASP 85 Cb 0.62 -3.37 0.00 0.00 -0.72 0.00 0.00 41.12 37.64 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 -1.59 0.00 0.12 -0.67 0.28 -1.26 -4.99 120.64 112.53 1a90 n GLU 86 Ca -0.12 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.93 1a90 n GLU 86 Cb 0.46 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.35 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 0.00 -0.19 3.44 0.13 -1.99 -3.39 132.00 129.99 1a90 h PRO 87 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1a90 h PRO 87 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1a90 h PRO 87 CO 0.00 0.25 0.09 -1.91 -0.23 0.00 0.00 178.00 176.20 1a90 n GLU 88 N -3.01 -0.01 -2.65 0.86 2.13 -1.26 -2.13 120.64 114.57 1a90 n GLU 88 Ca -0.01 0.26 -0.05 0.00 0.66 0.00 0.00 57.16 58.02 1a90 n GLU 88 Cb 0.68 -0.46 0.11 0.00 0.27 0.00 0.00 31.44 32.03 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 -3.52 -1.68 -0.62 4.31 -0.00 -1.26 -4.94 117.00 109.30 1a90 n LEU 89 Ca 0.07 -3.17 0.03 0.00 -0.00 0.00 0.00 56.01 52.93 1a90 n LEU 89 Cb 0.23 0.15 0.10 0.00 -0.00 0.00 0.00 43.42 43.89 1a90 n LEU 89 CO -0.00 1.76 0.51 0.00 -0.00 0.00 0.00 177.39 179.65 1a90 n ALA 90 N -0.79 2.66 -1.01 1.47 0.00 -0.90 -5.00 120.51 116.94 1a90 n ALA 90 Ca -0.09 -0.44 0.10 0.00 0.00 0.00 0.00 53.44 53.01 1a90 n ALA 90 Cb 0.83 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 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 0.14 -1.67 -3.87 0.00 5.02 -1.26 -4.44 118.16 112.08 1a90 n LYS 91 Ca 0.07 1.25 -0.10 0.00 -2.02 0.00 0.00 58.31 57.52 1a90 n LYS 91 Cb 0.33 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 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 -3.22 0.25 0.08 2.13 2.02 -1.26 -4.53 117.35 112.82 1a90 s TYR 92 Ca 0.00 -0.81 -0.14 0.00 -0.37 0.00 0.00 57.07 55.75 1a90 s TYR 92 Cb 0.00 0.63 0.02 0.00 -0.40 0.00 0.00 41.96 42.21 1a90 s TYR 92 CO 0.00 -1.42 0.33 -0.08 -1.57 0.00 0.00 175.55 172.81 1a90 s THR 93 N -2.75 0.09 -0.29 -0.71 -1.32 0.32 -4.96 115.64 106.02 1a90 s THR 93 Ca 0.18 -0.71 -0.10 0.00 -1.21 0.00 0.00 61.69 59.85 1a90 s THR 93 Cb -0.04 -1.10 -0.03 0.00 -1.51 0.00 0.00 72.50 69.81 1a90 s THR 93 CO 0.12 -0.39 0.17 -0.89 -2.21 0.00 0.00 174.62 171.42 1a90 s THR 94 N -3.23 5.00 0.11 5.08 2.01 -1.26 -0.18 115.64 123.17 1a90 s THR 94 Ca -0.00 -0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.04 1a90 s THR 94 Cb 0.01 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1a90 s THR 94 CO -0.08 0.20 -0.22 0.00 -0.69 0.00 0.00 174.62 173.83 1a90 s THR 96 N -1.17 2.02 -0.08 0.00 2.01 -0.63 -0.52 115.64 117.27 1a90 s THR 96 Ca 0.09 -1.09 0.05 0.00 0.31 0.00 0.00 61.69 61.04 1a90 s THR 96 Cb -0.10 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1a90 s THR 96 CO 0.05 0.57 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.95 1a90 s PHE 97 N -0.60 2.50 -0.25 4.92 0.08 -0.55 -1.49 117.98 122.60 1a90 s PHE 97 Ca 0.10 -0.86 0.01 0.00 0.12 0.00 0.00 56.93 56.30 1a90 s PHE 97 Cb -0.10 -1.65 0.07 0.00 -0.57 0.00 0.00 43.02 40.76 1a90 s PHE 97 CO -0.01 -0.30 -0.04 0.08 -0.10 0.00 0.00 175.22 174.85 1a90 s VAL 98 N 0.07 1.62 -0.18 -0.44 1.01 -0.68 -1.07 120.40 120.73 1a90 s VAL 98 Ca -0.11 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 60.50 1a90 s VAL 98 Cb -0.16 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1a90 s VAL 98 CO 0.06 -0.18 -0.18 -0.69 0.00 0.00 0.00 175.10 174.11 1a90 s VAL 99 N 1.34 1.99 0.45 2.92 1.01 -0.41 -0.91 120.40 126.79 1a90 s VAL 99 Ca -0.03 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1a90 s VAL 99 Cb -0.19 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 1a90 s VAL 99 CO -0.08 0.48 1.01 -0.47 0.00 0.00 0.00 175.10 176.05 1a90 s TYR 100 N 1.31 3.14 -0.27 5.22 5.04 -0.31 0.37 117.35 131.86 1a90 s TYR 100 Ca 0.04 1.60 -0.03 0.00 -2.44 0.00 0.00 57.07 56.24 1a90 s TYR 100 Cb -0.13 -3.01 0.11 0.00 0.35 0.00 0.00 41.96 39.28 1a90 s TYR 100 CO -0.12 -0.56 0.19 -1.54 -1.34 0.00 0.00 175.55 172.18 1a90 s SER 101 N -1.98 2.58 -0.52 4.32 1.04 0.49 -1.85 113.70 117.80 1a90 s SER 101 Ca 0.64 -0.93 -0.21 0.00 0.48 0.00 0.00 55.95 55.93 1a90 s SER 101 Cb -0.15 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.04 1a90 s SER 101 CO 0.19 -0.40 0.74 -0.63 0.98 0.00 0.00 173.24 174.12 1a90 s ILE 102 N 2.21 4.69 -0.00 -1.02 1.01 -0.80 -2.09 121.20 125.20 1a90 s ILE 102 Ca 0.08 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 1a90 s ILE 102 Cb -0.15 -4.38 -0.18 0.00 0.01 0.00 0.00 42.46 37.75 1a90 s ILE 102 CO -0.30 -0.91 1.28 1.55 0.00 0.00 0.00 174.94 176.57 1a90 h PRO 103 N 9.10 -0.12 0.00 2.79 0.13 -1.94 0.32 132.00 142.28 1a90 h PRO 103 Ca -0.27 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1a90 h PRO 103 Cb 1.09 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1a90 h PRO 103 CO 1.01 0.26 0.08 -2.67 -0.23 0.00 0.00 178.00 176.45 1a90 n TRP 104 N -4.96 0.11 -1.21 1.56 2.14 -1.26 -1.68 117.44 112.13 1a90 n TRP 104 Ca -0.09 0.06 0.01 0.00 2.07 0.00 0.00 57.50 59.55 1a90 n TRP 104 Cb 0.23 -0.52 0.01 0.00 -0.81 0.00 0.00 31.31 30.22 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 -1.56 0.38 -3.91 5.67 -0.00 -1.14 -5.02 117.00 111.43 1a90 n LEU 105 Ca -0.00 -0.75 -0.29 0.00 -0.00 0.00 0.00 56.01 54.97 1a90 n LEU 105 Cb 0.08 -0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.45 1a90 n LEU 105 CO 0.01 0.18 -0.22 -3.20 -0.00 0.00 0.00 177.39 174.16 1a90 n ASN 106 N -0.16 -1.27 -4.01 1.96 5.15 0.10 -4.87 115.26 112.16 1a90 n ASN 106 Ca 0.01 -0.93 -0.31 0.00 -0.60 0.00 0.00 54.58 52.75 1a90 n ASN 106 Cb 0.55 -1.14 -0.15 0.00 -0.53 0.00 0.00 39.78 38.51 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 -6.51 1.47 0.01 1.20 -0.21 -0.48 -4.97 119.66 110.17 1a90 s GLN 107 Ca 0.19 -1.86 -0.10 0.00 0.02 0.00 0.00 55.36 53.61 1a90 s GLN 107 Cb -0.11 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.67 1a90 s GLN 107 CO 0.71 -0.94 0.34 -1.50 -2.12 0.00 0.00 175.29 171.78 1a90 s ILE 108 N 0.92 5.17 -0.09 1.08 2.07 -1.26 -1.91 121.20 127.18 1a90 s ILE 108 Ca 0.11 0.49 -0.10 0.00 -1.41 0.00 0.00 60.65 59.74 1a90 s ILE 108 Cb -0.19 -3.62 0.02 0.00 0.13 0.00 0.00 42.46 38.81 1a90 s ILE 108 CO -0.08 0.44 0.26 -0.75 -1.91 0.00 0.00 174.94 172.90 1a90 s LYS 109 N -1.49 0.35 0.69 3.50 2.47 -0.77 -5.00 119.74 119.50 1a90 s LYS 109 Ca 0.26 0.27 -0.11 0.00 -1.56 0.00 0.00 55.97 54.83 1a90 s LYS 109 Cb -0.14 0.17 0.00 0.00 -1.46 0.00 0.00 37.83 36.40 1a90 s LYS 109 CO 0.14 -0.06 1.08 -1.17 0.16 0.00 0.00 175.35 175.51 1a90 s LEU 110 N -0.09 2.98 0.00 5.43 2.96 -1.26 -1.16 118.68 127.55 1a90 s LEU 110 Ca -0.02 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1a90 s LEU 110 Cb -0.03 -4.08 0.00 0.00 0.50 0.00 0.00 46.19 42.58 1a90 s LEU 110 CO 0.01 -1.24 0.00 0.18 -1.32 0.00 0.00 176.35 173.98 1a90 n LEU 111 N -2.95 0.00 -3.84 -0.68 4.32 -0.09 -4.80 117.00 108.96 1a90 n LEU 111 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.63 1a90 n LEU 111 Cb 0.56 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.37 1a90 n LEU 111 CO 0.58 0.00 1.80 1.21 -1.22 0.00 0.00 177.39 179.76 1a90 n GLU 112 N -0.38 3.99 -3.54 3.23 2.13 -1.17 -4.87 120.64 120.03 1a90 n GLU 112 Ca 0.00 -3.79 -0.41 0.00 0.66 0.00 0.00 57.16 53.62 1a90 n GLU 112 Cb 0.00 -2.78 -0.07 0.00 0.27 0.00 0.00 31.44 28.86 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 0.11 5.84 -0.05 4.31 1.04 -1.26 -1.68 113.70 122.01 1a90 s SER 113 Ca 0.39 -2.35 0.02 0.00 0.48 0.00 0.00 55.95 54.49 1a90 s SER 113 Cb 0.10 -2.02 0.01 0.00 0.10 0.00 0.00 66.02 64.21 1a90 s SER 113 CO 0.01 -0.58 -0.09 -1.59 0.98 0.00 0.00 173.24 171.97 1a90 s LYS 114 N 0.70 1.27 -0.33 4.02 -2.85 -0.56 -5.00 119.74 117.00 1a90 s LYS 114 Ca 0.11 -0.30 0.04 0.00 -1.00 0.00 0.00 55.97 54.82 1a90 s LYS 114 Cb -0.21 -1.12 0.09 0.00 -2.06 0.00 0.00 37.83 34.54 1a90 s LYS 114 CO -0.03 0.02 0.03 0.00 0.10 0.00 0.00 175.35 175.47