#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 -2.64 4.61 0.00 -1.26 -5.01 120.51 116.20 1a90 n ALA 10 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 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 4.14 0.08 0.00 0.04 -1.26 -3.01 135.00 132.99 1a90 s PRO 11 Ca 0.00 1.07 0.10 0.00 0.04 0.00 0.00 61.00 62.21 1a90 s PRO 11 Cb 0.00 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 1a90 s PRO 11 CO 0.00 -0.70 -0.26 0.08 0.04 0.00 0.00 177.00 176.16 1a90 s VAL 12 N 3.24 2.25 0.44 -0.36 1.01 -1.25 -4.98 120.40 120.75 1a90 s VAL 12 Ca 0.41 -1.55 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 1a90 s VAL 12 Cb -0.14 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 1a90 s VAL 12 CO 0.10 0.23 0.89 -2.16 0.00 0.00 0.00 175.10 174.17 1a90 s PRO 13 N -1.64 3.98 0.81 2.72 0.04 -1.26 -1.28 135.00 138.37 1a90 s PRO 13 Ca 0.13 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 1a90 s PRO 13 Cb -0.10 -2.25 0.08 0.00 0.04 0.00 0.00 34.50 32.27 1a90 s PRO 13 CO 0.04 -0.10 1.09 0.54 0.04 0.00 0.00 177.00 178.61 1a90 s VAL 14 N -2.37 3.07 0.15 -0.36 0.11 -1.26 -4.83 120.40 114.91 1a90 s VAL 14 Ca 0.57 0.35 -0.24 0.00 -2.93 0.00 0.00 61.98 59.73 1a90 s VAL 14 Cb -0.10 -3.01 0.08 0.00 -1.53 0.00 0.00 36.38 31.82 1a90 s VAL 14 CO 0.25 -0.45 1.05 1.51 -3.33 0.00 0.00 175.10 174.12 1a90 s ASP 15 N -3.74 -0.05 -0.89 3.54 1.47 -1.26 -4.91 116.67 110.82 1a90 s ASP 15 Ca 0.61 -0.53 -0.01 0.00 1.18 0.00 0.00 52.55 53.79 1a90 s ASP 15 Cb -0.15 0.46 -0.01 0.00 -0.34 0.00 0.00 42.92 42.87 1a90 s ASP 15 CO 0.55 -0.88 0.75 -0.62 0.68 0.00 0.00 175.17 175.65 1a90 n GLU 16 N -0.62 -4.18 -0.22 2.11 1.02 -1.26 -2.19 120.64 115.30 1a90 n GLU 16 Ca -0.04 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1a90 n GLU 16 Cb 0.60 -5.03 0.00 0.00 -0.02 0.00 0.00 31.44 26.99 1a90 n GLU 16 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1a90 n ASN 17 N -2.70 0.00 -3.71 1.62 2.85 -1.26 -4.35 115.26 107.71 1a90 n ASN 17 Ca -0.18 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 53.99 1a90 n ASN 17 Cb 0.62 -0.25 0.01 0.00 1.24 0.00 0.00 39.78 41.40 1a90 n ASN 17 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1a90 n ASP 18 N 0.00 -5.01 0.12 1.20 5.75 -0.93 -4.83 116.55 112.85 1a90 n ASP 18 Ca 0.00 -0.72 -0.24 0.00 -0.01 0.00 0.00 54.79 53.82 1a90 n ASP 18 Cb 0.00 -1.60 -0.16 0.00 -1.03 0.00 0.00 41.12 38.34 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1a90 h GLU 19 N 0.48 0.47 -0.25 0.11 9.09 -1.82 -2.20 114.58 120.46 1a90 h GLU 19 Ca -0.63 -0.80 -0.05 0.00 0.05 0.00 0.00 59.36 57.93 1a90 h GLU 19 Cb 1.41 0.30 -0.01 0.00 -1.65 0.00 0.00 28.75 28.80 1a90 h GLU 19 CO 0.32 1.39 -0.03 0.78 0.05 0.00 0.00 179.01 181.52 1a90 h GLY 20 N 0.09 0.50 2.00 1.06 0.00 -1.95 -2.14 103.07 102.62 1a90 h GLY 20 Ca -0.25 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 1a90 h GLY 20 CO 0.23 0.36 -0.27 -2.00 0.00 0.00 0.00 176.54 174.86 1a90 h LEU 21 N 0.22 0.00 -0.17 3.11 5.85 -1.94 -1.92 115.31 120.46 1a90 h LEU 21 Ca 0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1a90 h LEU 21 Cb 0.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1a90 h LEU 21 CO 0.02 0.27 -0.05 1.56 -0.34 0.00 0.00 178.44 179.90 1a90 h GLN 22 N 0.00 0.34 0.00 1.25 4.20 -1.01 -1.49 115.11 118.39 1a90 h GLN 22 Ca -0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1a90 h GLN 22 Cb 0.51 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1a90 h GLN 22 CO 0.03 0.61 -0.07 0.00 -0.67 0.00 0.00 178.83 178.74 1a90 h ARG 23 N 0.05 0.00 0.08 1.46 -0.00 -1.14 -2.11 114.38 112.71 1a90 h ARG 23 Ca 0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.52 1a90 h ARG 23 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.46 1a90 h ARG 23 CO 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 179.97 180.02 1a90 h ALA 24 N 1.93 -0.11 -0.87 0.04 0.00 -0.64 -2.23 119.26 117.38 1a90 h ALA 24 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1a90 h ALA 24 Cb 0.33 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1a90 h ALA 24 CO 0.01 -0.32 0.55 1.25 0.00 0.00 0.00 179.25 180.74 1a90 h LEU 25 N -0.59 1.02 -1.67 0.00 6.46 -0.91 -0.75 115.31 118.88 1a90 h LEU 25 Ca -0.01 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1a90 h LEU 25 Cb 0.49 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1a90 h LEU 25 CO 0.02 0.76 -0.17 1.56 -0.62 0.00 0.00 178.44 179.99 1a90 h GLN 26 N 1.19 0.00 0.22 1.25 4.20 -1.35 0.76 115.11 121.38 1a90 h GLN 26 Ca 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1a90 h GLN 26 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1a90 h GLN 26 CO -0.06 0.17 -0.11 0.35 -0.67 0.00 0.00 178.83 178.51 1a90 h PHE 27 N 0.00 -0.28 0.05 2.96 3.04 -0.51 -2.25 116.94 119.95 1a90 h PHE 27 Ca -0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1a90 h PHE 27 Cb 0.46 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1a90 h PHE 27 CO 0.00 0.03 -0.02 0.00 -2.02 0.00 0.00 178.31 176.30 1a90 h ALA 28 N -0.68 -0.07 -0.78 2.41 0.00 -1.43 -2.63 119.26 116.08 1a90 h ALA 28 Ca -0.03 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.74 1a90 h ALA 28 Cb 0.44 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1a90 h ALA 28 CO 0.05 -0.26 0.38 0.97 0.00 0.00 0.00 179.25 180.39 1a90 h ILE 29 N -0.62 0.75 -0.89 0.00 6.09 0.20 0.88 117.51 123.93 1a90 h ILE 29 Ca -0.01 -0.20 0.15 0.00 -1.37 0.00 0.00 64.86 63.43 1a90 h ILE 29 Cb 0.54 0.13 -0.09 0.00 0.47 0.00 0.00 36.82 37.87 1a90 h ILE 29 CO 0.01 0.10 0.49 0.00 -3.07 0.00 0.00 178.15 175.68 1a90 h ALA 30 N 1.51 1.36 -0.19 0.18 0.00 -1.35 0.58 119.26 121.35 1a90 h ALA 30 Ca 0.41 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 1a90 h ALA 30 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a90 h ALA 30 CO -0.34 -0.04 -0.17 0.93 0.00 0.00 0.00 179.25 179.64 1a90 h GLU 31 N 0.70 0.32 -0.45 0.00 4.39 0.11 -2.42 114.58 117.22 1a90 h GLU 31 Ca 0.48 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 1a90 h GLU 31 Cb 0.65 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1a90 h GLU 31 CO -0.35 0.48 0.23 -0.92 -1.16 0.00 0.00 179.01 177.30 1a90 h TYR 32 N 0.30 0.63 0.25 4.33 5.03 0.21 0.24 116.97 127.96 1a90 h TYR 32 Ca 0.06 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1a90 h TYR 32 Cb 0.47 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.55 1a90 h TYR 32 CO 0.01 0.50 -0.15 -0.97 -1.32 0.00 0.00 178.16 176.22 1a90 h ASN 33 N 0.59 -0.38 0.47 -2.11 -0.00 -0.96 -0.30 115.58 112.88 1a90 h ASN 33 Ca 0.16 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 1a90 h ASN 33 Cb 0.09 0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 1a90 h ASN 33 CO -0.02 -0.25 0.00 0.54 -0.00 0.00 0.00 177.43 177.70 1a90 n ARG 34 N -5.28 0.13 0.07 6.67 3.00 -0.95 -1.59 116.66 118.71 1a90 n ARG 34 Ca -0.09 0.44 0.13 0.00 -0.01 0.00 0.00 57.85 58.31 1a90 n ARG 34 Cb 0.19 -1.79 0.30 0.00 0.00 0.00 0.00 32.46 31.17 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a90 n ALA 35 N -1.70 2.67 -0.16 7.54 0.00 0.83 -4.09 120.51 125.60 1a90 n ALA 35 Ca 0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 1a90 n ALA 35 Cb 0.16 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.10 0.00 0.00 0.87 -0.69 -3.44 113.55 109.19 1a90 h SER 36 Ca 0.00 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1a90 h SER 36 Cb 0.71 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1a90 h SER 36 CO 0.00 -0.31 0.00 0.59 -0.53 0.00 0.00 176.83 176.58 1a90 n ASN 37 N -5.42 0.00 0.00 6.23 3.02 -1.26 -4.81 115.26 113.01 1a90 n ASN 37 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1a90 n ASN 37 Cb 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 2.90 0.00 0.03 6.41 -0.08 -1.26 -5.03 116.55 119.52 1a90 n ASP 38 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1a90 n ASP 38 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1a90 n ASP 38 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1a90 n LYS 39 N 0.00 0.00 0.00 -0.67 5.02 -1.26 -5.04 118.16 116.21 1a90 n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a90 n LYS 39 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 1a90 n LYS 39 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1a90 n TYR 40 N -2.71 -0.76 -4.22 2.13 0.18 -1.25 -4.72 117.16 105.80 1a90 n TYR 40 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 1a90 n TYR 40 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 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 -1.75 0.38 -0.41 9.48 0.15 -1.05 -4.81 113.70 115.69 1a90 s SER 41 Ca 0.00 -1.41 -0.16 0.00 0.70 0.00 0.00 55.95 55.09 1a90 s SER 41 Cb 0.00 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 1a90 s SER 41 CO 0.00 -0.83 0.34 -0.44 1.20 0.00 0.00 173.24 173.50 1a90 s SER 42 N -3.19 6.13 0.07 5.45 0.01 -1.26 -0.35 113.70 120.55 1a90 s SER 42 Ca 0.39 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1a90 s SER 42 Cb 0.07 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1a90 s SER 42 CO 0.13 -0.47 0.00 -1.14 0.41 0.00 0.00 173.24 172.17 1a90 n ARG 43 N 5.28 1.76 -1.20 12.44 0.63 -0.32 -4.36 116.66 130.90 1a90 n ARG 43 Ca -0.10 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.53 1a90 n ARG 43 Cb 0.47 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.60 1a90 n ARG 43 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1a90 s VAL 44 N 1.22 1.75 0.00 5.15 1.01 -1.26 -1.46 120.40 126.81 1a90 s VAL 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1a90 s VAL 44 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1a90 s VAL 44 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.10 175.62 1a90 n VAL 45 N -4.49 0.00 -3.74 2.92 0.31 -1.03 -3.59 118.33 108.71 1a90 n VAL 45 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.14 1a90 n VAL 45 Cb 0.59 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.38 1a90 n VAL 45 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1a90 s ARG 46 N 0.00 1.04 0.41 5.55 3.52 -1.26 -4.73 118.95 123.48 1a90 s ARG 46 Ca 0.00 -1.59 -0.12 0.00 -0.13 0.00 0.00 55.73 53.89 1a90 s ARG 46 Cb 0.00 -2.23 -0.07 0.00 -1.56 0.00 0.00 34.95 31.09 1a90 s ARG 46 CO 0.00 -1.07 0.80 0.54 -0.81 0.00 0.00 175.30 174.76 1a90 s VAL 47 N 0.94 4.72 0.00 7.11 0.11 -1.26 -1.90 120.40 130.13 1a90 s VAL 47 Ca 0.14 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 1a90 s VAL 47 Cb -0.21 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 1a90 s VAL 47 CO -0.11 -0.49 0.00 -0.38 -3.33 0.00 0.00 175.10 170.79 1a90 n ILE 48 N -1.18 0.00 0.00 7.04 -0.00 -1.26 -4.85 119.36 119.11 1a90 n ILE 48 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 1a90 n ILE 48 Cb 0.54 -0.55 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 1a90 n ILE 48 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1a90 n SER 49 N -1.74 0.00 -3.85 4.38 2.88 -1.26 -4.99 113.62 109.04 1a90 n SER 49 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1a90 n SER 49 Cb 0.33 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.69 1a90 n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a90 s ALA 50 N -2.00 -0.38 0.16 -1.46 0.00 -1.26 -0.69 121.76 116.12 1a90 s ALA 50 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 1a90 s ALA 50 Cb 0.00 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1a90 s ALA 50 CO 0.00 -0.18 0.45 0.15 0.00 0.00 0.00 175.76 176.18 1a90 s LYS 51 N -1.02 1.20 -0.35 0.00 1.02 -0.41 -4.17 119.74 116.02 1a90 s LYS 51 Ca -0.11 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.10 1a90 s LYS 51 Cb -0.06 0.49 0.11 0.00 -0.52 0.00 0.00 37.83 37.85 1a90 s LYS 51 CO 0.01 -0.49 0.12 1.03 -0.92 0.00 0.00 175.35 175.11 1a90 s ARG 52 N -3.84 0.98 0.98 1.68 0.52 -0.40 -0.98 118.95 117.89 1a90 s ARG 52 Ca 0.06 -1.43 -0.11 0.00 -0.52 0.00 0.00 55.73 53.73 1a90 s ARG 52 Cb 0.01 -2.29 0.18 0.00 0.52 0.00 0.00 34.95 33.37 1a90 s ARG 52 CO -0.08 -1.02 1.12 -0.65 0.02 0.00 0.00 175.30 174.69 1a90 s GLN 53 N 1.20 0.52 -0.55 3.54 -0.21 0.13 -3.87 119.66 120.43 1a90 s GLN 53 Ca 0.12 1.40 0.04 0.00 0.02 0.00 0.00 55.36 56.94 1a90 s GLN 53 Cb -0.19 -1.68 0.14 0.00 1.00 0.00 0.00 33.01 32.28 1a90 s GLN 53 CO -0.16 -2.92 0.33 -0.51 -2.12 0.00 0.00 175.29 169.90 1a90 s LEU 54 N -6.77 3.95 0.00 2.90 1.43 -1.16 -1.73 118.68 117.29 1a90 s LEU 54 Ca 0.67 -3.17 0.00 0.00 -1.03 0.00 0.00 54.13 50.60 1a90 s LEU 54 Cb -0.23 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1a90 s LEU 54 CO 0.60 -0.19 0.00 0.55 0.23 0.00 0.00 176.35 177.53 1a90 n VAL 55 N 2.86 0.00 -0.58 -1.59 3.14 -1.26 -3.63 118.33 117.27 1a90 n VAL 55 Ca 0.11 0.00 0.45 0.00 -2.96 0.00 0.00 64.34 61.95 1a90 n VAL 55 Cb 0.34 0.00 0.72 0.00 -1.06 0.00 0.00 33.84 33.84 1a90 n VAL 55 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1a90 n SER 56 N 0.00 0.07 0.00 6.55 3.41 -1.26 -4.51 113.62 117.88 1a90 n SER 56 Ca 0.00 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1a90 n SER 56 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1a90 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a90 n GLY 57 N -1.73 4.44 3.14 5.00 0.00 -1.26 -4.98 105.19 109.81 1a90 n GLY 57 Ca 0.40 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1a90 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a90 s ILE 58 N 2.69 1.34 -0.04 -0.61 1.09 -0.78 -4.34 121.20 120.56 1a90 s ILE 58 Ca 0.00 -0.71 -0.04 0.00 -1.10 0.00 0.00 60.65 58.81 1a90 s ILE 58 Cb 0.00 -1.13 -0.04 0.00 -1.06 0.00 0.00 42.46 40.23 1a90 s ILE 58 CO 0.00 0.38 0.16 -0.54 -0.10 0.00 0.00 174.94 174.84 1a90 s LYS 59 N -0.24 3.40 -0.41 2.79 1.02 -0.70 -1.39 119.74 124.20 1a90 s LYS 59 Ca 0.03 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 55.74 1a90 s LYS 59 Cb -0.08 -3.10 0.11 0.00 -0.52 0.00 0.00 37.83 34.25 1a90 s LYS 59 CO 0.00 0.70 0.16 0.71 -0.92 0.00 0.00 175.35 176.01 1a90 s TYR 60 N -1.23 3.60 0.02 3.18 1.51 0.22 0.21 117.35 124.85 1a90 s TYR 60 Ca 0.24 -2.81 -0.26 0.00 -1.01 0.00 0.00 57.07 53.22 1a90 s TYR 60 Cb -0.12 -3.04 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 1a90 s TYR 60 CO 0.14 -0.92 0.82 0.42 -1.11 0.00 0.00 175.55 174.90 1a90 s ILE 61 N 0.73 4.80 -0.01 2.71 -1.09 -0.15 -1.29 121.20 126.90 1a90 s ILE 61 Ca 0.11 1.73 0.02 0.00 -2.23 0.00 0.00 60.65 60.29 1a90 s ILE 61 Cb -0.21 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.50 1a90 s ILE 61 CO -0.05 0.29 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.66 1a90 s LEU 62 N 0.35 2.00 0.24 2.97 1.98 0.11 -1.29 118.68 125.03 1a90 s LEU 62 Ca 0.42 -0.13 0.12 0.00 -2.89 0.00 0.00 54.13 51.65 1a90 s LEU 62 Cb -0.20 -0.37 -0.05 0.00 0.66 0.00 0.00 46.19 46.22 1a90 s LEU 62 CO 0.24 0.09 -0.22 -1.10 -1.89 0.00 0.00 176.35 173.47 1a90 s GLN 63 N -0.16 1.60 0.26 1.98 -1.52 0.13 -0.89 119.66 121.06 1a90 s GLN 63 Ca 0.03 -1.65 -0.14 0.00 -1.95 0.00 0.00 55.36 51.65 1a90 s GLN 63 Cb -0.03 -1.81 0.00 0.00 -0.22 0.00 0.00 33.01 30.95 1a90 s GLN 63 CO -0.00 0.36 0.53 0.14 -0.25 0.00 0.00 175.29 176.08 1a90 s VAL 64 N -2.09 0.00 -0.18 1.09 -7.23 0.28 -4.30 120.40 107.97 1a90 s VAL 64 Ca 0.25 -1.32 -0.05 0.00 -1.81 0.00 0.00 61.98 59.05 1a90 s VAL 64 Cb -0.06 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1a90 s VAL 64 CO 0.12 0.00 0.00 -1.83 -0.31 0.00 0.00 175.10 173.09 1a90 s GLU 65 N -3.92 3.72 -0.12 4.82 -1.05 -0.80 -1.95 118.70 119.41 1a90 s GLU 65 Ca 0.20 -0.48 -0.16 0.00 -0.15 0.00 0.00 54.97 54.38 1a90 s GLU 65 Cb -0.02 -3.05 0.04 0.00 -0.44 0.00 0.00 34.13 30.66 1a90 s GLU 65 CO 0.09 0.16 0.43 0.96 0.95 0.00 0.00 175.26 177.85 1a90 s ILE 66 N 0.62 0.01 0.00 1.83 -0.00 -0.18 -2.46 121.20 121.02 1a90 s ILE 66 Ca -0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 60.65 60.54 1a90 s ILE 66 Cb -0.14 -0.64 0.00 0.00 -0.00 0.00 0.00 42.46 41.68 1a90 s ILE 66 CO 0.02 -0.06 0.00 0.61 -0.00 0.00 0.00 174.94 175.51 1a90 n GLY 67 N 2.35 3.13 3.99 6.27 0.00 -0.54 0.10 105.19 120.49 1a90 n GLY 67 Ca -0.16 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 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 0.03 2.79 -0.42 1.61 3.00 -1.22 -1.18 118.95 123.56 1a90 s ARG 68 Ca 0.00 -1.28 0.07 0.00 0.00 0.00 0.00 55.73 54.52 1a90 s ARG 68 Cb 0.00 -2.71 0.18 0.00 0.00 0.00 0.00 34.95 32.42 1a90 s ARG 68 CO 0.00 -0.25 0.59 -0.08 0.00 0.00 0.00 175.30 175.56 1a90 s THR 69 N -2.36 -0.86 0.00 0.02 -1.32 0.52 -3.56 115.64 108.08 1a90 s THR 69 Ca 0.54 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1a90 s THR 69 Cb -0.09 -0.14 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 1a90 s THR 69 CO 0.32 -0.13 0.00 1.07 -2.21 0.00 0.00 174.62 173.68 1a90 n THR 70 N 4.15 0.00 -3.82 5.08 5.66 0.28 -2.54 114.28 123.09 1a90 n THR 70 Ca 0.12 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.78 1a90 n THR 70 Cb 0.55 -0.02 0.02 0.00 -1.55 0.00 0.00 70.33 69.33 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 -4.02 0.03 0.00 0.00 -0.04 -1.26 -4.39 135.00 125.32 1a90 n PRO 72 Ca -0.14 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1a90 n PRO 72 Cb 0.60 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.24 0.00 0.00 0.54 5.02 -1.26 -4.47 118.16 116.75 1a90 n LYS 73 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1a90 n LYS 73 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 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 1.28 0.00 0.00 4.39 7.64 -1.26 -5.07 113.62 120.60 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 -1.54 -3.01 0.00 0.00 175.04 170.49 1a90 n SER 75 N 0.00 0.00 0.00 6.43 3.41 -1.26 -4.99 113.62 117.21 1a90 n SER 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a90 n SER 75 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 2.89 0.00 5.00 0.00 -1.26 -4.71 105.19 107.11 1a90 n GLY 76 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.00 0.00 1.61 5.68 -1.26 -5.04 116.55 117.54 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 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -1.24 -2.12 4.77 -1.26 -5.16 117.00 111.98 1a90 n LEU 78 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1a90 n LEU 78 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1a90 n LEU 78 CO 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 177.39 175.64 1a90 n GLN 79 N -0.81 -2.50 -0.68 3.23 3.00 -1.26 -3.96 117.38 114.39 1a90 n GLN 79 Ca 0.00 1.95 -0.11 0.00 -0.01 0.00 0.00 57.00 58.83 1a90 n GLN 79 Cb 0.00 -3.08 0.04 0.00 0.00 0.00 0.00 30.24 27.20 1a90 n GLN 79 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1a90 n SER 80 N -4.19 5.33 -4.54 1.08 7.64 -1.26 -4.96 113.62 112.73 1a90 n SER 80 Ca -0.05 -2.79 -0.56 0.00 1.01 0.00 0.00 58.87 56.48 1a90 n SER 80 Cb 0.60 -0.95 -0.07 0.00 -1.01 0.00 0.00 64.21 62.78 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 0.25 1.11 0.00 0.00 2.12 -1.26 -4.96 118.70 115.96 1a90 s GLU 82 Ca 0.88 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1a90 s GLU 82 Cb -1.11 0.42 0.00 0.00 0.26 0.00 0.00 34.13 33.70 1a90 s GLU 82 CO 0.52 -0.42 0.47 1.19 -0.54 0.00 0.00 175.26 176.48 1a90 n PHE 83 N -0.21 0.00 -2.78 5.30 3.01 -1.23 0.99 117.46 122.54 1a90 n PHE 83 Ca -0.12 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.25 1a90 n PHE 83 Cb 0.63 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.18 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 -0.80 -2.13 -1.22 1.38 8.25 -1.26 -2.08 115.22 117.36 1a90 n HIS 84 Ca 0.00 -2.35 -0.10 0.00 -0.26 0.00 0.00 57.72 55.01 1a90 n HIS 84 Cb 0.00 1.23 -0.04 0.00 1.12 0.00 0.00 29.99 32.30 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 0.10 -5.06 0.00 0.41 8.00 -1.26 -4.76 116.55 113.97 1a90 n ASP 85 Ca 0.07 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1a90 n ASP 85 Cb 0.74 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 1a90 n ASP 85 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1a90 n GLU 86 N -0.72 0.00 0.13 -1.24 0.28 -1.26 -4.99 120.64 112.84 1a90 n GLU 86 Ca -0.10 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.95 1a90 n GLU 86 Cb 0.53 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.42 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 -0.05 3.44 0.13 -2.00 -3.39 132.00 130.14 1a90 h PRO 87 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1a90 h PRO 87 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1a90 h PRO 87 CO 0.00 0.33 0.01 -1.91 -0.23 0.00 0.00 178.00 176.19 1a90 n GLU 88 N -3.08 -0.00 -2.65 0.86 4.07 -1.26 -2.14 120.64 116.43 1a90 n GLU 88 Ca -0.00 0.07 -0.05 0.00 -0.06 0.00 0.00 57.16 57.11 1a90 n GLU 88 Cb 0.71 -0.11 0.10 0.00 -0.06 0.00 0.00 31.44 32.07 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 -3.60 -1.66 -0.97 4.31 -0.00 -1.26 -4.95 117.00 108.87 1a90 n LEU 89 Ca 0.01 -3.10 0.01 0.00 -0.00 0.00 0.00 56.01 52.93 1a90 n LEU 89 Cb 0.04 0.18 0.11 0.00 -0.00 0.00 0.00 43.42 43.75 1a90 n LEU 89 CO -0.00 1.73 0.47 0.00 -0.00 0.00 0.00 177.39 179.59 1a90 n ALA 90 N -0.74 2.97 -1.08 1.47 0.00 -0.91 -4.99 120.51 117.23 1a90 n ALA 90 Ca -0.09 -0.59 0.11 0.00 0.00 0.00 0.00 53.44 52.87 1a90 n ALA 90 Cb 0.82 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 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 0.16 -1.90 -3.89 0.00 5.02 -1.26 -3.41 118.16 112.87 1a90 n LYS 91 Ca 0.09 1.42 -0.10 0.00 -2.02 0.00 0.00 58.31 57.70 1a90 n LYS 91 Cb 0.57 -2.47 -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 -3.14 0.30 -0.27 2.13 2.02 -1.26 -4.38 117.35 112.74 1a90 s TYR 92 Ca 0.00 -0.83 -0.34 0.00 -0.37 0.00 0.00 57.07 55.53 1a90 s TYR 92 Cb 0.00 0.57 0.17 0.00 -0.40 0.00 0.00 41.96 42.30 1a90 s TYR 92 CO 0.00 -1.39 1.34 -0.08 -1.57 0.00 0.00 175.55 173.85 1a90 s THR 93 N -2.81 0.00 -0.15 -0.71 -1.32 0.28 -4.84 115.64 106.09 1a90 s THR 93 Ca 0.19 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.69 1a90 s THR 93 Cb -0.04 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.96 1a90 s THR 93 CO 0.13 0.00 -0.21 -0.89 -2.21 0.00 0.00 174.62 171.44 1a90 s THR 94 N -1.60 2.16 0.31 5.08 2.01 -1.26 -1.01 115.64 121.32 1a90 s THR 94 Ca 0.10 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.25 1a90 s THR 94 Cb -0.01 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1a90 s THR 94 CO -0.05 0.54 0.01 0.00 -0.69 0.00 0.00 174.62 174.43 1a90 s THR 96 N -2.43 1.43 -0.09 0.00 2.01 -0.63 0.10 115.64 116.03 1a90 s THR 96 Ca 0.33 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1a90 s THR 96 Cb -0.03 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 1a90 s THR 96 CO 0.20 0.42 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.00 1a90 s PHE 97 N 0.34 2.65 -0.34 4.92 0.08 -0.07 -1.48 117.98 124.07 1a90 s PHE 97 Ca -0.11 -0.69 0.03 0.00 0.12 0.00 0.00 56.93 56.28 1a90 s PHE 97 Cb -0.14 -1.72 0.10 0.00 -0.57 0.00 0.00 43.02 40.68 1a90 s PHE 97 CO 0.04 -0.21 0.07 0.08 -0.10 0.00 0.00 175.22 175.10 1a90 s VAL 98 N 0.08 2.04 0.41 -0.44 1.01 -0.68 0.04 120.40 122.86 1a90 s VAL 98 Ca -0.08 -2.23 0.08 0.00 0.00 0.00 0.00 61.98 59.75 1a90 s VAL 98 Cb -0.15 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1a90 s VAL 98 CO 0.05 -0.63 0.53 -0.69 0.00 0.00 0.00 175.10 174.37 1a90 s VAL 99 N 0.97 3.03 -0.04 2.92 1.01 -0.41 -1.90 120.40 125.97 1a90 s VAL 99 Ca 0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1a90 s VAL 99 Cb -0.19 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1a90 s VAL 99 CO -0.11 -0.01 0.05 -0.47 0.00 0.00 0.00 175.10 174.56 1a90 s TYR 100 N -2.36 0.17 -0.16 5.22 6.14 -0.71 0.71 117.35 126.37 1a90 s TYR 100 Ca 0.53 0.17 0.01 0.00 0.64 0.00 0.00 57.07 58.42 1a90 s TYR 100 Cb -0.09 -0.52 0.01 0.00 0.42 0.00 0.00 41.96 41.78 1a90 s TYR 100 CO 0.32 -0.20 -0.19 0.45 0.64 0.00 0.00 175.55 176.56 1a90 s SER 101 N 2.01 3.30 -0.40 4.32 0.15 -0.49 -1.80 113.70 120.80 1a90 s SER 101 Ca 0.03 -0.57 -0.13 0.00 0.70 0.00 0.00 55.95 55.99 1a90 s SER 101 Cb -0.12 -1.49 0.03 0.00 -1.71 0.00 0.00 66.02 62.72 1a90 s SER 101 CO -0.03 0.06 0.25 -0.63 1.20 0.00 0.00 173.24 174.09 1a90 s ILE 102 N 0.94 4.83 0.02 6.45 1.01 -0.67 -1.86 121.20 131.93 1a90 s ILE 102 Ca -0.03 -0.84 -0.28 0.00 0.00 0.00 0.00 60.65 59.50 1a90 s ILE 102 Cb -0.15 -3.72 -0.16 0.00 0.01 0.00 0.00 42.46 38.44 1a90 s ILE 102 CO -0.04 -0.30 1.27 1.55 0.00 0.00 0.00 174.94 177.42 1a90 h PRO 103 N 8.52 -0.75 0.00 2.79 0.13 -1.93 1.00 132.00 141.75 1a90 h PRO 103 Ca -0.26 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1a90 h PRO 103 Cb 1.11 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1a90 h PRO 103 CO 0.71 -0.44 0.11 -2.67 -0.23 0.00 0.00 178.00 175.47 1a90 n TRP 104 N -5.34 0.21 -0.65 1.56 2.14 -1.26 -1.51 117.44 112.59 1a90 n TRP 104 Ca -0.12 0.11 0.00 0.00 2.07 0.00 0.00 57.50 59.56 1a90 n TRP 104 Cb 0.34 -0.59 0.00 0.00 -0.81 0.00 0.00 31.31 30.26 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 -1.67 0.70 -3.76 5.67 -0.00 -1.12 -5.01 117.00 111.80 1a90 n LEU 105 Ca -0.00 -0.70 -0.23 0.00 -0.00 0.00 0.00 56.01 55.08 1a90 n LEU 105 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.48 1a90 n LEU 105 CO 0.03 0.17 -0.28 -3.20 -0.00 0.00 0.00 177.39 174.11 1a90 n ASN 106 N -0.17 0.05 -4.20 1.96 2.85 0.34 -4.86 115.26 111.22 1a90 n ASN 106 Ca 0.00 -0.86 -0.36 0.00 -0.11 0.00 0.00 54.58 53.25 1a90 n ASN 106 Cb 0.40 -1.06 -0.13 0.00 1.24 0.00 0.00 39.78 40.23 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 -6.07 2.42 -0.13 1.20 0.74 -0.58 -4.92 119.66 112.31 1a90 s GLN 107 Ca 0.06 -1.34 -0.06 0.00 0.05 0.00 0.00 55.36 54.07 1a90 s GLN 107 Cb -0.03 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 1a90 s GLN 107 CO 0.67 -0.73 0.07 -1.50 -0.55 0.00 0.00 175.29 173.25 1a90 s ILE 108 N 1.29 4.92 -0.01 -2.34 2.07 -1.26 -1.67 121.20 124.20 1a90 s ILE 108 Ca -0.01 -0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.18 1a90 s ILE 108 Cb -0.20 -3.15 -0.00 0.00 0.13 0.00 0.00 42.46 39.23 1a90 s ILE 108 CO -0.00 0.56 0.08 -0.75 -1.91 0.00 0.00 174.94 172.91 1a90 s LYS 109 N -0.50 0.31 0.58 3.50 2.20 -0.75 -5.00 119.74 120.09 1a90 s LYS 109 Ca 0.10 -0.27 -0.06 0.00 -0.36 0.00 0.00 55.97 55.38 1a90 s LYS 109 Cb -0.12 0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.34 1a90 s LYS 109 CO 0.02 -0.06 0.89 -1.17 -0.36 0.00 0.00 175.35 174.67 1a90 s LEU 110 N -0.91 3.26 0.00 5.43 2.96 -1.26 -1.73 118.68 126.42 1a90 s LEU 110 Ca -0.10 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 1a90 s LEU 110 Cb -0.06 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1a90 s LEU 110 CO 0.00 -1.04 0.00 0.18 -1.32 0.00 0.00 176.35 174.17 1a90 n LEU 111 N -2.56 0.00 -3.72 -0.68 4.32 -0.80 -4.88 117.00 108.68 1a90 n LEU 111 Ca 0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.62 1a90 n LEU 111 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1a90 n LEU 111 CO 0.52 0.00 2.20 1.21 -1.22 0.00 0.00 177.39 180.10 1a90 n GLU 112 N -0.34 3.86 -3.42 3.23 4.07 -1.12 -4.86 120.64 122.05 1a90 n GLU 112 Ca 0.00 -3.39 -0.44 0.00 -0.06 0.00 0.00 57.16 53.27 1a90 n GLU 112 Cb 0.00 -2.86 -0.05 0.00 -0.06 0.00 0.00 31.44 28.47 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1a90 s SER 113 N 0.91 6.24 0.18 4.31 1.04 -1.25 -1.69 113.70 123.44 1a90 s SER 113 Ca 0.45 -2.43 -0.21 0.00 0.48 0.00 0.00 55.95 54.25 1a90 s SER 113 Cb 0.13 -2.12 0.05 0.00 0.10 0.00 0.00 66.02 64.18 1a90 s SER 113 CO -0.03 -0.61 0.58 -1.59 0.98 0.00 0.00 173.24 172.56 1a90 s LYS 114 N 0.58 1.35 0.14 4.02 -2.85 -0.55 -4.99 119.74 117.44 1a90 s LYS 114 Ca 0.13 -0.66 0.09 0.00 -1.00 0.00 0.00 55.97 54.53 1a90 s LYS 114 Cb -0.18 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1a90 s LYS 114 CO -0.04 -0.58 -0.16 0.00 0.10 0.00 0.00 175.35 174.66