#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 -2.30 -1.96 4.61 0.00 -1.26 -4.91 120.51 114.69 1a90 n ALA 10 Ca 0.00 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.57 1a90 n ALA 10 Cb 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.73 2.99 -0.47 0.00 0.04 -1.26 -4.68 135.00 128.89 1a90 s PRO 11 Ca 0.00 0.34 -0.18 0.00 0.04 0.00 0.00 61.00 61.20 1a90 s PRO 11 Cb 0.00 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.47 1a90 s PRO 11 CO 0.00 -0.85 0.51 0.08 0.04 0.00 0.00 177.00 176.78 1a90 s VAL 12 N -3.20 5.03 0.60 -0.36 1.01 -1.18 -4.94 120.40 117.36 1a90 s VAL 12 Ca 0.56 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1a90 s VAL 12 Cb -0.11 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1a90 s VAL 12 CO 0.50 -0.63 1.11 -2.16 0.00 0.00 0.00 175.10 173.91 1a90 s PRO 13 N 2.23 3.14 1.05 2.72 0.04 -1.26 -0.83 135.00 142.08 1a90 s PRO 13 Ca 0.11 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 62.47 1a90 s PRO 13 Cb -0.20 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.51 1a90 s PRO 13 CO 0.11 -0.99 0.70 1.55 0.04 0.00 0.00 177.00 178.41 1a90 n VAL 14 N -1.86 0.00 -4.10 -0.36 3.14 -0.92 -4.85 118.33 109.38 1a90 n VAL 14 Ca 0.11 -0.24 -0.15 0.00 -2.96 0.00 0.00 64.34 61.10 1a90 n VAL 14 Cb 0.52 -0.83 -0.05 0.00 -1.06 0.00 0.00 33.84 32.42 1a90 n VAL 14 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1a90 s ASP 15 N -2.26 0.88 -0.18 6.55 1.01 -1.26 -5.03 116.67 116.38 1a90 s ASP 15 Ca 0.63 -1.47 -0.03 0.00 0.71 0.00 0.00 52.55 52.40 1a90 s ASP 15 Cb -0.21 0.64 -0.00 0.00 1.01 0.00 0.00 42.92 44.36 1a90 s ASP 15 CO 0.64 -1.25 2.60 -0.62 0.21 0.00 0.00 175.17 176.75 1a90 n GLU 16 N -0.54 1.78 -2.66 8.23 1.02 -1.26 -4.02 120.64 123.18 1a90 n GLU 16 Ca 0.01 -1.18 -0.04 0.00 -0.02 0.00 0.00 57.16 55.94 1a90 n GLU 16 Cb 0.62 -1.67 0.04 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.33 -1.20 -3.40 1.62 3.02 -1.26 -5.08 115.26 110.28 1a90 n ASN 17 Ca 0.30 -1.77 -0.26 0.00 -0.03 0.00 0.00 54.58 52.81 1a90 n ASN 17 Cb 0.64 1.07 -0.09 0.00 -0.61 0.00 0.00 39.78 40.79 1a90 n ASN 17 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1a90 n ASP 18 N -0.12 0.44 0.31 6.41 5.75 -1.26 -4.92 116.55 123.16 1a90 n ASP 18 Ca -0.18 -2.64 0.14 0.00 -0.01 0.00 0.00 54.79 52.10 1a90 n ASP 18 Cb 0.70 -0.61 0.75 0.00 -1.03 0.00 0.00 41.12 40.93 1a90 n ASP 18 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1a90 h GLU 19 N 5.05 0.00 0.10 0.11 3.07 -1.98 -0.04 114.58 120.88 1a90 h GLU 19 Ca 0.19 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1a90 h GLU 19 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1a90 h GLU 19 CO 0.47 0.00 -0.05 0.78 -1.40 0.00 0.00 179.01 178.82 1a90 h GLY 20 N 0.00 -0.14 1.12 -3.84 0.00 -1.98 -1.67 103.07 96.57 1a90 h GLY 20 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1a90 h GLY 20 CO 0.00 -0.05 0.48 -2.00 0.00 0.00 0.00 176.54 174.97 1a90 h LEU 21 N -0.72 0.72 -0.08 3.11 7.12 -1.44 0.19 115.31 124.22 1a90 h LEU 21 Ca -0.01 -0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 1a90 h LEU 21 Cb 0.55 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1a90 h LEU 21 CO 0.02 0.49 0.01 1.56 -0.13 0.00 0.00 178.44 180.39 1a90 h GLN 22 N 0.83 0.12 0.00 1.25 4.20 -1.40 -0.85 115.11 119.27 1a90 h GLN 22 Ca 0.30 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1a90 h GLN 22 Cb 0.13 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1a90 h GLN 22 CO -0.09 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.40 1a90 h ARG 23 N -0.11 0.00 0.29 1.46 2.47 -0.52 -1.90 114.38 116.08 1a90 h ARG 23 Ca 0.02 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1a90 h ARG 23 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1a90 h ARG 23 CO 0.00 0.00 -0.14 0.00 0.56 0.00 0.00 179.97 180.39 1a90 h ALA 24 N 2.02 -0.39 -0.38 0.04 0.00 0.73 -0.37 119.26 120.90 1a90 h ALA 24 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1a90 h ALA 24 Cb 0.18 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1a90 h ALA 24 CO 0.00 -0.49 0.20 1.25 0.00 0.00 0.00 179.25 180.21 1a90 h LEU 25 N -0.86 0.46 -0.83 0.00 5.85 -0.89 -1.14 115.31 117.90 1a90 h LEU 25 Ca -0.04 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1a90 h LEU 25 Cb 0.52 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1a90 h LEU 25 CO 0.07 0.39 -0.48 1.56 -0.34 0.00 0.00 178.44 179.63 1a90 h GLN 26 N 0.53 0.00 0.35 1.25 4.20 -1.27 0.12 115.11 120.28 1a90 h GLN 26 Ca 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1a90 h GLN 26 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1a90 h GLN 26 CO -0.02 0.48 -0.17 0.35 -0.67 0.00 0.00 178.83 178.80 1a90 h PHE 27 N 0.00 -0.44 0.00 2.96 3.57 0.21 -0.14 116.94 123.10 1a90 h PHE 27 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1a90 h PHE 27 Cb 1.00 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1a90 h PHE 27 CO 0.00 -0.11 -0.00 0.00 -2.23 0.00 0.00 178.31 175.97 1a90 h ALA 28 N -0.61 -0.00 -0.93 2.41 0.00 -1.52 -2.53 119.26 116.09 1a90 h ALA 28 Ca -0.05 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.68 1a90 h ALA 28 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1a90 h ALA 28 CO 0.08 -0.20 0.59 0.97 0.00 0.00 0.00 179.25 180.69 1a90 h ILE 29 N -0.59 0.93 -0.94 0.00 6.09 0.66 0.67 117.51 124.33 1a90 h ILE 29 Ca -0.00 -0.30 0.04 0.00 -1.37 0.00 0.00 64.86 63.23 1a90 h ILE 29 Cb 0.59 -0.03 -0.06 0.00 0.47 0.00 0.00 36.82 37.79 1a90 h ILE 29 CO 0.00 0.16 0.61 0.00 -3.07 0.00 0.00 178.15 175.85 1a90 h ALA 30 N 1.56 1.42 0.00 0.18 0.00 -0.93 0.16 119.26 121.65 1a90 h ALA 30 Ca 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1a90 h ALA 30 Cb 0.49 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1a90 h ALA 30 CO -0.21 0.47 -0.11 1.05 0.00 0.00 0.00 179.25 180.46 1a90 h GLU 31 N 1.15 0.00 -0.06 0.00 -0.00 0.68 -2.52 114.58 113.84 1a90 h GLU 31 Ca 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.69 1a90 h GLU 31 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 1a90 h GLU 31 CO -0.12 0.11 -0.16 -0.92 -0.00 0.00 0.00 179.01 177.92 1a90 h TYR 32 N 0.00 0.27 -0.46 2.06 5.03 0.15 0.32 116.97 124.34 1a90 h TYR 32 Ca -0.00 -0.11 -0.03 0.00 2.58 0.00 0.00 58.73 61.17 1a90 h TYR 32 Cb 0.74 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.95 1a90 h TYR 32 CO 0.00 0.76 0.18 -2.95 -1.32 0.00 0.00 178.16 174.83 1a90 h ASN 33 N -0.30 0.65 1.58 -2.11 -1.07 -1.37 -1.90 115.58 111.06 1a90 h ASN 33 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.19 1a90 h ASN 33 Cb 0.76 -0.17 0.00 0.00 -2.07 0.00 0.00 38.32 36.84 1a90 h ASN 33 CO 0.03 0.65 0.00 0.08 0.07 0.00 0.00 177.43 178.27 1a90 h ARG 34 N 0.61 0.00 0.00 4.14 -0.00 -1.48 -3.20 114.38 114.45 1a90 h ARG 34 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.13 1a90 h ARG 34 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.18 1a90 h ARG 34 CO -0.01 0.00 -0.67 0.00 -0.00 0.00 0.00 179.97 179.29 1a90 n ALA 35 N -1.85 3.09 -0.03 0.08 0.00 0.11 -4.45 120.51 117.46 1a90 n ALA 35 Ca 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 1a90 n ALA 35 Cb 0.45 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.99 0.00 0.87 -1.35 -3.46 113.55 107.62 1a90 h SER 36 Ca 0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 1a90 h SER 36 Cb 0.71 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.60 1a90 h SER 36 CO 0.00 0.27 -0.18 0.59 -0.53 0.00 0.00 176.83 176.97 1a90 n ASN 37 N -3.20 -2.54 -1.88 6.23 3.02 -1.25 -4.75 115.26 110.90 1a90 n ASN 37 Ca -0.02 0.23 -0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1a90 n ASN 37 Cb 0.06 -2.47 -0.04 0.00 -0.61 0.00 0.00 39.78 36.73 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 -0.32 5.82 -1.59 6.41 2.03 -1.26 -4.67 116.55 122.97 1a90 n ASP 38 Ca -0.09 -2.74 -0.15 0.00 0.52 0.00 0.00 54.79 52.33 1a90 n ASP 38 Cb 0.35 -1.19 -0.02 0.00 -0.72 0.00 0.00 41.12 39.54 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 1.29 -1.15 -3.83 -0.67 5.02 -1.26 -4.95 118.16 112.61 1a90 n LYS 39 Ca 0.26 0.76 -0.07 0.00 -2.02 0.00 0.00 58.31 57.23 1a90 n LYS 39 Cb 0.62 -5.04 0.02 0.00 -0.02 0.00 0.00 35.03 30.60 1a90 n LYS 39 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1a90 s TYR 40 N -2.70 0.06 -0.26 2.13 2.02 -1.26 -4.05 117.35 113.29 1a90 s TYR 40 Ca 0.00 -0.64 0.03 0.00 -0.37 0.00 0.00 57.07 56.09 1a90 s TYR 40 Cb 0.00 0.79 0.06 0.00 -0.40 0.00 0.00 41.96 42.41 1a90 s TYR 40 CO 0.00 -1.35 -0.10 0.45 -1.57 0.00 0.00 175.55 172.98 1a90 s SER 41 N -3.13 4.39 -0.21 2.29 0.15 -1.15 -4.49 113.70 111.54 1a90 s SER 41 Ca 0.16 -1.40 -0.10 0.00 0.70 0.00 0.00 55.95 55.32 1a90 s SER 41 Cb -0.04 -1.51 -0.05 0.00 -1.71 0.00 0.00 66.02 62.71 1a90 s SER 41 CO 0.09 -0.20 0.13 -0.94 1.20 0.00 0.00 173.24 173.52 1a90 s SER 42 N 1.13 6.06 0.28 5.45 1.04 -1.26 0.38 113.70 126.78 1a90 s SER 42 Ca -0.08 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.55 1a90 s SER 42 Cb -0.20 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 1a90 s SER 42 CO -0.05 0.14 0.22 0.00 0.98 0.00 0.00 173.24 174.53 1a90 s ARG 43 N 0.62 1.56 0.00 4.02 1.70 -0.74 -3.36 118.95 122.75 1a90 s ARG 43 Ca 0.07 -1.88 0.00 0.00 -0.47 0.00 0.00 55.73 53.45 1a90 s ARG 43 Cb -0.12 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 1a90 s ARG 43 CO 0.01 -0.55 0.00 1.55 -1.08 0.00 0.00 175.30 175.22 1a90 n VAL 44 N -0.50 0.00 0.00 4.99 3.14 -1.26 -0.55 118.33 124.15 1a90 n VAL 44 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 1a90 n VAL 44 Cb 0.64 0.00 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 -0.83 0.00 -3.63 1.55 0.31 -1.26 -2.62 118.33 111.85 1a90 n VAL 45 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1a90 n VAL 45 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 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 0.00 1.05 1.04 5.55 1.81 -1.22 -4.98 118.95 122.20 1a90 s ARG 46 Ca 0.00 -1.79 -0.18 0.00 -1.72 0.00 0.00 55.73 52.04 1a90 s ARG 46 Cb 0.00 -2.00 0.01 0.00 -0.45 0.00 0.00 34.95 32.52 1a90 s ARG 46 CO 0.00 -1.18 -0.17 0.28 -0.68 0.00 0.00 175.30 173.55 1a90 n VAL 47 N 3.70 0.00 0.00 3.52 0.31 -1.26 -1.78 118.33 122.81 1a90 n VAL 47 Ca 0.10 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1a90 n VAL 47 Cb 0.35 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 -3.82 0.00 -3.47 2.52 5.41 -0.24 -4.72 119.36 115.04 1a90 n ILE 48 Ca 0.02 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.58 1a90 n ILE 48 Cb 0.61 -0.32 -0.12 0.00 -0.71 0.00 0.00 39.64 39.09 1a90 n ILE 48 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1a90 s SER 49 N -3.95 1.72 -0.44 4.38 1.04 -1.22 -4.95 113.70 110.29 1a90 s SER 49 Ca 0.00 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 1a90 s SER 49 Cb 0.00 0.34 0.12 0.00 0.10 0.00 0.00 66.02 66.58 1a90 s SER 49 CO 0.00 -0.36 0.21 0.00 0.98 0.00 0.00 173.24 174.07 1a90 s ALA 50 N 2.31 3.18 0.38 5.32 0.00 -1.26 -1.29 121.76 130.40 1a90 s ALA 50 Ca 0.08 -2.72 0.08 0.00 0.00 0.00 0.00 51.96 49.40 1a90 s ALA 50 Cb -0.15 -2.32 -0.06 0.00 0.00 0.00 0.00 23.12 20.58 1a90 s ALA 50 CO -0.22 -1.84 0.02 0.15 0.00 0.00 0.00 175.76 173.86 1a90 s LYS 51 N 0.75 2.01 -0.41 0.00 1.02 -0.23 -2.18 119.74 120.70 1a90 s LYS 51 Ca 0.11 -1.93 0.05 0.00 0.02 0.00 0.00 55.97 54.22 1a90 s LYS 51 Cb -0.22 -1.79 0.19 0.00 -0.52 0.00 0.00 37.83 35.50 1a90 s LYS 51 CO -0.05 0.03 0.41 0.54 -0.92 0.00 0.00 175.35 175.37 1a90 n ARG 52 N -0.97 0.35 -1.11 1.68 1.74 -0.01 -0.98 116.66 117.35 1a90 n ARG 52 Ca -0.04 -3.12 -0.37 0.00 -0.77 0.00 0.00 57.85 53.54 1a90 n ARG 52 Cb 0.65 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 30.58 1a90 n ARG 52 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1a90 n GLN 53 N 2.42 0.01 -3.71 5.56 6.02 0.21 -3.11 117.38 124.78 1a90 n GLN 53 Ca 0.27 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.98 1a90 n GLN 53 Cb 0.50 -1.03 -0.11 0.00 1.02 0.00 0.00 30.24 30.62 1a90 n GLN 53 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1a90 n LEU 54 N 2.92 1.80 0.00 1.08 7.94 -1.26 -1.75 117.00 127.73 1a90 n LEU 54 Ca 0.03 -4.92 0.00 0.00 -1.11 0.00 0.00 56.01 50.01 1a90 n LEU 54 Cb 0.52 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1a90 n LEU 54 CO 0.53 1.80 0.00 0.55 -1.11 0.00 0.00 177.39 179.16 1a90 n VAL 55 N 2.24 0.00 -0.65 1.96 3.14 -1.26 -4.89 118.33 118.87 1a90 n VAL 55 Ca 0.24 0.00 0.51 0.00 -2.96 0.00 0.00 64.34 62.12 1a90 n VAL 55 Cb 0.40 -0.04 0.80 0.00 -1.06 0.00 0.00 33.84 33.94 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 -5.35 6.55 4.64 -2.01 -3.39 113.55 113.98 1a90 h SER 56 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 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 -0.31 -0.83 -0.87 0.00 0.00 176.83 174.82 1a90 s GLY 57 N -3.85 0.79 0.14 -0.77 0.00 -1.26 -4.98 107.32 97.39 1a90 s GLY 57 Ca -0.05 -1.13 -0.22 0.00 0.00 0.00 0.00 44.72 43.32 1a90 s GLY 57 CO 0.87 -0.91 0.69 -0.42 0.00 0.00 0.00 173.10 173.33 1a90 s ILE 58 N -4.05 4.54 -0.20 0.90 1.09 -0.85 -4.46 121.20 118.17 1a90 s ILE 58 Ca 0.26 1.45 -0.07 0.00 -1.10 0.00 0.00 60.65 61.19 1a90 s ILE 58 Cb 0.03 -4.00 -0.04 0.00 -1.06 0.00 0.00 42.46 37.39 1a90 s ILE 58 CO 0.08 0.49 0.05 -0.54 -0.10 0.00 0.00 174.94 174.92 1a90 s LYS 59 N -1.25 3.83 -0.53 2.79 1.02 -0.72 -0.57 119.74 124.31 1a90 s LYS 59 Ca 0.34 -0.41 -0.16 0.00 0.02 0.00 0.00 55.97 55.76 1a90 s LYS 59 Cb -0.21 -3.20 0.12 0.00 -0.52 0.00 0.00 37.83 34.02 1a90 s LYS 59 CO 0.23 0.13 0.50 0.71 -0.92 0.00 0.00 175.35 176.00 1a90 s TYR 60 N 0.74 3.23 -0.02 3.18 1.51 0.15 0.66 117.35 126.81 1a90 s TYR 60 Ca 0.03 -1.21 -0.15 0.00 -1.01 0.00 0.00 57.07 54.72 1a90 s TYR 60 Cb -0.14 -3.73 -0.05 0.00 -0.11 0.00 0.00 41.96 37.93 1a90 s TYR 60 CO 0.02 -1.01 0.41 0.42 -1.11 0.00 0.00 175.55 174.28 1a90 s ILE 61 N 1.69 5.06 0.02 2.71 -1.09 -0.16 -0.86 121.20 128.57 1a90 s ILE 61 Ca 0.04 0.84 0.03 0.00 -2.23 0.00 0.00 60.65 59.33 1a90 s ILE 61 Cb -0.29 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1a90 s ILE 61 CO 0.04 0.54 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.97 1a90 s LEU 62 N -0.82 2.13 -0.02 2.97 1.98 0.74 -1.07 118.68 124.58 1a90 s LEU 62 Ca 0.24 -0.35 -0.04 0.00 -2.89 0.00 0.00 54.13 51.08 1a90 s LEU 62 Cb -0.16 -0.42 0.00 0.00 0.66 0.00 0.00 46.19 46.27 1a90 s LEU 62 CO 0.13 0.00 0.09 -1.10 -1.89 0.00 0.00 176.35 173.58 1a90 s GLN 63 N -0.87 0.23 -0.29 1.98 1.11 -0.41 -1.14 119.66 120.28 1a90 s GLN 63 Ca -0.01 -0.08 -0.20 0.00 0.01 0.00 0.00 55.36 55.09 1a90 s GLN 63 Cb -0.06 0.10 0.13 0.00 -1.01 0.00 0.00 33.01 32.16 1a90 s GLN 63 CO 0.00 -0.04 0.98 0.14 0.01 0.00 0.00 175.29 176.38 1a90 s VAL 64 N -0.47 0.00 -1.35 1.09 -7.23 -0.78 -1.08 120.40 110.57 1a90 s VAL 64 Ca -0.05 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 59.96 1a90 s VAL 64 Cb -0.04 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 35.97 1a90 s VAL 64 CO 0.00 0.00 1.91 -0.62 -0.31 0.00 0.00 175.10 176.08 1a90 n GLU 65 N 3.10 3.09 -1.88 4.82 1.02 -0.73 -2.03 120.64 128.03 1a90 n GLU 65 Ca -0.16 -3.06 -0.41 0.00 -0.02 0.00 0.00 57.16 53.50 1a90 n GLU 65 Cb 0.57 -3.38 -0.01 0.00 -0.02 0.00 0.00 31.44 28.59 1a90 n GLU 65 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1a90 s ILE 66 N 3.61 2.29 0.00 -3.67 2.07 0.22 -3.44 121.20 122.27 1a90 s ILE 66 Ca 0.50 0.26 0.00 0.00 -1.41 0.00 0.00 60.65 60.00 1a90 s ILE 66 Cb 0.08 -3.16 0.00 0.00 0.13 0.00 0.00 42.46 39.50 1a90 s ILE 66 CO 0.01 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 1a90 n GLY 67 N 1.49 2.77 3.52 1.50 0.00 0.29 0.11 105.19 114.87 1a90 n GLY 67 Ca 0.05 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 1a90 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a90 s ARG 68 N -1.77 1.76 -0.26 1.61 1.81 -0.86 -1.79 118.95 119.44 1a90 s ARG 68 Ca 0.00 -1.95 0.00 0.00 -1.72 0.00 0.00 55.73 52.06 1a90 s ARG 68 Cb 0.00 -1.36 0.08 0.00 -0.45 0.00 0.00 34.95 33.22 1a90 s ARG 68 CO 0.00 -0.02 0.01 0.95 -0.68 0.00 0.00 175.30 175.56 1a90 s THR 69 N -2.90 1.33 0.00 0.02 -4.23 0.16 -3.92 115.64 106.10 1a90 s THR 69 Ca 0.34 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1a90 s THR 69 Cb 0.07 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1a90 s THR 69 CO 0.16 -0.33 0.00 1.07 -0.54 0.00 0.00 174.62 174.97 1a90 n THR 70 N 4.71 0.00 -2.06 3.99 5.66 0.14 -2.95 114.28 123.76 1a90 n THR 70 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1a90 n THR 70 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 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 1.90 0.15 -0.08 0.00 -0.04 -1.26 -4.53 135.00 131.14 1a90 n PRO 72 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1a90 n PRO 72 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1a90 n PRO 72 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1a90 h LYS 73 N 0.00 -0.40 0.00 0.54 3.64 -1.92 -3.44 116.57 114.99 1a90 h LYS 73 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1a90 h LYS 73 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1a90 h LYS 73 CO 0.00 -0.27 0.00 0.45 -2.27 0.00 0.00 179.45 177.36 1a90 n SER 74 N -5.08 0.00 -3.38 4.20 2.88 -1.26 -4.43 113.62 106.55 1a90 n SER 74 Ca -0.04 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.30 1a90 n SER 74 Cb 0.32 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.86 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 1.85 -4.17 0.08 -3.46 3.41 -1.26 -4.90 113.62 105.17 1a90 n SER 75 Ca 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1a90 n SER 75 Cb 0.00 -4.85 0.00 0.00 -0.26 0.00 0.00 64.21 59.10 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a90 n GLY 76 N -1.54 -0.15 0.00 5.00 0.00 -1.26 -5.14 105.19 102.09 1a90 n GLY 76 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1a90 n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a90 n ASP 77 N -3.34 0.51 0.00 1.61 5.68 -1.26 -5.13 116.55 114.61 1a90 n ASP 77 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1a90 n ASP 77 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1a90 n LEU 78 N 0.00 0.00 -4.57 -2.12 4.32 -1.26 -4.97 117.00 108.39 1a90 n LEU 78 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.60 1a90 n LEU 78 Cb 0.00 0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 41.79 1a90 n LEU 78 CO 0.00 -0.10 1.75 0.00 -1.22 0.00 0.00 177.39 177.81 1a90 s GLN 79 N -0.20 3.55 0.00 3.23 -2.07 -1.26 -4.52 119.66 118.39 1a90 s GLN 79 Ca 0.00 -1.55 0.00 0.00 -1.82 0.00 0.00 55.36 51.99 1a90 s GLN 79 Cb 0.00 -5.42 0.00 0.00 -1.09 0.00 0.00 33.01 26.50 1a90 s GLN 79 CO 0.00 -2.61 0.00 0.45 -1.32 0.00 0.00 175.29 171.81 1a90 n SER 80 N 9.89 0.00 -4.71 12.60 2.88 -1.26 -5.10 113.62 127.91 1a90 n SER 80 Ca 0.44 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.60 1a90 n SER 80 Cb 0.47 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.99 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a90 n GLU 82 N -1.39 0.00 0.00 0.00 -0.58 -1.26 -4.89 120.64 112.52 1a90 n GLU 82 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1a90 n GLU 82 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 1a90 n GLU 82 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1a90 n PHE 83 N 0.00 0.00 -1.15 -0.32 3.01 -1.25 0.26 117.46 118.00 1a90 n PHE 83 Ca 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1a90 n PHE 83 Cb 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 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 0.87 0.00 -0.87 1.38 8.25 -1.26 -3.15 115.22 120.43 1a90 n HIS 84 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1a90 n HIS 84 Cb 0.07 -1.32 0.00 0.00 1.12 0.00 0.00 29.99 29.86 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 -0.70 -2.52 0.00 0.41 8.00 -1.26 -4.82 116.55 115.66 1a90 n ASP 85 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1a90 n ASP 85 Cb 0.31 -1.80 0.00 0.00 -0.02 0.00 0.00 41.12 39.60 1a90 n ASP 85 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a90 n GLU 86 N -1.34 0.00 0.09 -1.24 4.71 -1.24 -4.99 120.64 116.62 1a90 n GLU 86 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 1a90 n GLU 86 Cb 0.15 0.00 0.05 0.00 -1.01 0.00 0.00 31.44 30.63 1a90 n GLU 86 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1a90 h PRO 87 N 0.00 0.16 -0.35 3.49 0.13 -1.88 -3.31 132.00 130.24 1a90 h PRO 87 Ca 0.00 -0.15 0.10 0.00 -0.87 0.00 0.00 66.00 65.08 1a90 h PRO 87 Cb 0.00 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1a90 h PRO 87 CO 0.00 0.84 0.95 -1.91 -0.23 0.00 0.00 178.00 177.65 1a90 n GLU 88 N -3.72 0.02 -2.70 0.86 4.07 -1.26 -2.06 120.64 115.85 1a90 n GLU 88 Ca -0.03 0.85 -0.02 0.00 -0.06 0.00 0.00 57.16 57.90 1a90 n GLU 88 Cb 0.73 -2.23 0.12 0.00 -0.06 0.00 0.00 31.44 29.99 1a90 n GLU 88 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1a90 n LEU 89 N -2.53 -1.06 -2.49 4.31 -0.00 -1.25 -4.94 117.00 109.04 1a90 n LEU 89 Ca 0.08 -3.22 -0.34 0.00 -0.00 0.00 0.00 56.01 52.52 1a90 n LEU 89 Cb 1.05 0.14 0.05 0.00 -0.00 0.00 0.00 43.42 44.66 1a90 n LEU 89 CO 0.08 1.64 1.16 0.00 -0.00 0.00 0.00 177.39 180.27 1a90 n ALA 90 N -1.31 6.07 -1.13 1.47 0.00 -0.88 -4.87 120.51 119.86 1a90 n ALA 90 Ca -0.13 -3.83 0.13 0.00 0.00 0.00 0.00 53.44 49.61 1a90 n ALA 90 Cb 0.87 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.72 -2.11 -3.89 0.00 5.02 -1.26 -2.03 118.16 113.18 1a90 n LYS 91 Ca 0.55 1.55 -0.09 0.00 -2.02 0.00 0.00 58.31 58.29 1a90 n LYS 91 Cb 0.57 -2.67 -0.01 0.00 -0.02 0.00 0.00 35.03 32.90 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 -3.01 0.23 -0.27 2.13 2.02 -1.26 -3.71 117.35 113.48 1a90 s TYR 92 Ca 0.00 -0.74 -0.25 0.00 -0.37 0.00 0.00 57.07 55.71 1a90 s TYR 92 Cb 0.00 0.57 0.07 0.00 -0.40 0.00 0.00 41.96 42.20 1a90 s TYR 92 CO 0.00 -1.34 0.73 -0.08 -1.57 0.00 0.00 175.55 173.29 1a90 s THR 93 N -3.07 0.00 -0.44 -0.71 -1.32 0.29 -4.90 115.64 105.49 1a90 s THR 93 Ca 0.18 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.47 1a90 s THR 93 Cb -0.04 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1a90 s THR 93 CO 0.11 0.00 0.55 -0.89 -2.21 0.00 0.00 174.62 172.19 1a90 s THR 94 N 0.41 4.94 0.25 5.08 2.01 -1.26 0.70 115.64 127.78 1a90 s THR 94 Ca -0.00 -0.15 0.09 0.00 0.31 0.00 0.00 61.69 61.94 1a90 s THR 94 Cb -0.05 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1a90 s THR 94 CO 0.00 -0.55 -0.15 0.00 -0.69 0.00 0.00 174.62 173.24 1a90 s THR 96 N -2.78 0.84 -0.08 0.00 2.01 -0.39 -1.87 115.64 113.36 1a90 s THR 96 Ca 0.27 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.85 1a90 s THR 96 Cb -0.01 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 1a90 s THR 96 CO 0.11 0.24 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.74 1a90 s PHE 97 N -0.22 2.65 -0.10 4.92 0.08 -0.29 -0.79 117.98 124.22 1a90 s PHE 97 Ca 0.04 -0.52 0.04 0.00 0.12 0.00 0.00 56.93 56.60 1a90 s PHE 97 Cb -0.04 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.72 1a90 s PHE 97 CO -0.00 -0.09 -0.23 0.08 -0.10 0.00 0.00 175.22 174.88 1a90 s VAL 98 N -0.17 2.15 -0.04 -0.44 1.01 -1.24 -0.19 120.40 121.48 1a90 s VAL 98 Ca -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1a90 s VAL 98 Cb -0.14 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1a90 s VAL 98 CO 0.03 0.56 0.05 -0.69 0.00 0.00 0.00 175.10 175.05 1a90 s VAL 99 N 0.34 -0.05 0.43 2.92 1.01 -0.04 -0.04 120.40 124.97 1a90 s VAL 99 Ca -0.18 0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 1a90 s VAL 99 Cb -0.18 -0.18 -0.10 0.00 0.00 0.00 0.00 36.38 35.92 1a90 s VAL 99 CO 0.09 0.17 0.97 -0.47 0.00 0.00 0.00 175.10 175.86 1a90 s TYR 100 N 1.95 3.28 -0.27 5.22 5.04 -0.73 0.34 117.35 132.17 1a90 s TYR 100 Ca 0.02 1.62 -0.03 0.00 -2.44 0.00 0.00 57.07 56.25 1a90 s TYR 100 Cb -0.12 -2.91 0.11 0.00 0.35 0.00 0.00 41.96 39.39 1a90 s TYR 100 CO -0.03 -0.23 0.21 -1.54 -1.34 0.00 0.00 175.55 172.62 1a90 s SER 101 N -2.07 2.33 -0.54 4.32 1.04 0.26 -1.66 113.70 117.38 1a90 s SER 101 Ca 0.62 -0.85 -0.22 0.00 0.48 0.00 0.00 55.95 55.98 1a90 s SER 101 Cb -0.12 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.20 1a90 s SER 101 CO 0.16 -0.40 0.81 -0.63 0.98 0.00 0.00 173.24 174.16 1a90 s ILE 102 N 2.25 4.59 0.02 -1.02 1.01 -0.79 -2.01 121.20 125.24 1a90 s ILE 102 Ca 0.08 -0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.37 1a90 s ILE 102 Cb -0.15 -4.45 -0.18 0.00 0.01 0.00 0.00 42.46 37.69 1a90 s ILE 102 CO -0.30 -1.02 1.38 1.55 0.00 0.00 0.00 174.94 176.55 1a90 h PRO 103 N 9.20 -0.15 0.00 2.79 0.13 -1.93 0.33 132.00 142.37 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 1.08 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1a90 h PRO 103 CO 1.05 0.16 0.05 -2.67 -0.23 0.00 0.00 178.00 176.36 1a90 n TRP 104 N -5.02 0.00 -1.11 1.56 2.14 -1.26 -1.64 117.44 112.12 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 0.20 -0.44 0.01 0.00 -0.81 0.00 0.00 31.31 30.28 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 -1.43 0.51 -4.01 5.67 -0.00 -1.08 -5.03 117.00 111.63 1a90 n LEU 105 Ca 0.00 -0.83 -0.36 0.00 -0.00 0.00 0.00 56.01 54.82 1a90 n LEU 105 Cb 0.05 -0.04 0.01 0.00 -0.00 0.00 0.00 43.42 43.45 1a90 n LEU 105 CO 0.00 0.20 -0.13 -3.20 -0.00 0.00 0.00 177.39 174.26 1a90 n ASN 106 N -0.20 -3.01 -3.84 1.96 2.85 0.10 -4.89 115.26 108.23 1a90 n ASN 106 Ca 0.01 -1.00 -0.30 0.00 -0.11 0.00 0.00 54.58 53.18 1a90 n ASN 106 Cb 0.52 -1.20 -0.15 0.00 1.24 0.00 0.00 39.78 40.20 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 -6.90 1.13 0.06 1.20 2.00 -0.53 -4.97 119.66 111.65 1a90 s GLN 107 Ca 0.37 -1.57 -0.07 0.00 -2.00 0.00 0.00 55.36 52.09 1a90 s GLN 107 Cb -0.21 -2.53 -0.05 0.00 0.80 0.00 0.00 33.01 31.02 1a90 s GLN 107 CO 0.74 -1.01 0.34 0.42 -0.50 0.00 0.00 175.29 175.28 1a90 s ILE 108 N 1.07 5.20 -0.17 -2.34 1.01 -1.26 -1.89 121.20 122.83 1a90 s ILE 108 Ca 0.12 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.89 1a90 s ILE 108 Cb -0.19 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.72 1a90 s ILE 108 CO -0.14 0.26 0.41 -0.75 0.00 0.00 0.00 174.94 174.72 1a90 s LYS 109 N -2.04 0.40 0.88 2.79 2.20 -0.66 -4.99 119.74 118.32 1a90 s LYS 109 Ca 0.33 0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 56.57 1a90 s LYS 109 Cb -0.13 0.02 0.11 0.00 -1.51 0.00 0.00 37.83 36.31 1a90 s LYS 109 CO 0.19 -0.14 1.06 -0.11 -0.36 0.00 0.00 175.35 175.99 1a90 n LEU 110 N 4.04 3.23 0.00 5.43 7.94 -1.26 -1.78 117.00 134.60 1a90 n LEU 110 Ca -0.22 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 1a90 n LEU 110 Cb 0.55 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 43.06 1a90 n LEU 110 CO 0.09 -2.20 0.00 0.18 -1.11 0.00 0.00 177.39 174.35 1a90 n LEU 111 N -3.42 0.00 -3.38 -1.96 4.32 0.94 -4.74 117.00 108.76 1a90 n LEU 111 Ca 0.12 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.85 1a90 n LEU 111 Cb 0.51 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.22 1a90 n LEU 111 CO 0.49 0.00 -0.25 -0.62 -1.22 0.00 0.00 177.39 175.79 1a90 n GLU 112 N -0.80 0.75 -2.13 3.23 1.02 -1.24 -4.95 120.64 116.53 1a90 n GLU 112 Ca 0.00 -3.47 -0.38 0.00 -0.02 0.00 0.00 57.16 53.29 1a90 n GLU 112 Cb 0.00 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 29.75 1a90 n GLU 112 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1a90 s SER 113 N -0.76 5.41 -0.08 1.62 0.15 -1.26 -4.10 113.70 114.70 1a90 s SER 113 Ca 0.33 0.10 0.05 0.00 0.70 0.00 0.00 55.95 57.13 1a90 s SER 113 Cb 0.08 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.85 1a90 s SER 113 CO -0.15 -2.31 -0.23 -0.54 1.20 0.00 0.00 173.24 171.21 1a90 s LYS 114 N 6.81 2.80 -0.24 5.44 1.02 0.03 -4.92 119.74 130.69 1a90 s LYS 114 Ca 0.62 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1a90 s LYS 114 Cb -0.11 -2.27 0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1a90 s LYS 114 CO 0.17 0.31 -0.10 0.00 -0.92 0.00 0.00 175.35 174.81