#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a90 h ALA 10 N 0.00 0.51 -2.01 4.61 0.00 -2.01 -3.41 119.26 116.94 1a90 h ALA 10 Ca 0.00 -0.25 -0.57 0.00 0.00 0.00 0.00 54.91 54.09 1a90 h ALA 10 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1a90 h ALA 10 CO 0.00 0.27 0.95 -1.25 0.00 0.00 0.00 179.25 179.23 1a90 s PRO 11 N -5.01 4.01 -0.42 0.00 0.04 -1.26 -1.71 135.00 130.64 1a90 s PRO 11 Ca -0.13 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.20 1a90 s PRO 11 Cb 0.10 -3.85 0.09 0.00 0.04 0.00 0.00 34.50 30.88 1a90 s PRO 11 CO 0.78 -1.00 0.25 0.08 0.04 0.00 0.00 177.00 177.15 1a90 s VAL 12 N 4.13 4.04 0.62 -0.36 1.01 -1.24 -4.97 120.40 123.64 1a90 s VAL 12 Ca 0.56 -1.54 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 1a90 s VAL 12 Cb -0.18 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1a90 s VAL 12 CO 0.21 -0.55 1.16 -2.16 0.00 0.00 0.00 175.10 173.75 1a90 s PRO 13 N 1.37 2.86 0.45 2.72 0.04 -1.26 -1.44 135.00 139.73 1a90 s PRO 13 Ca 0.04 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 1a90 s PRO 13 Cb -0.23 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1a90 s PRO 13 CO 0.01 -1.25 0.70 0.08 0.04 0.00 0.00 177.00 176.58 1a90 s VAL 14 N -1.92 4.63 0.26 -0.36 1.01 -1.23 -4.85 120.40 117.94 1a90 s VAL 14 Ca 0.73 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.37 1a90 s VAL 14 Cb -0.26 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1a90 s VAL 14 CO 0.36 -0.61 0.58 -1.81 0.00 0.00 0.00 175.10 173.62 1a90 s ASP 15 N -4.13 -0.16 -0.89 3.32 1.11 -1.26 -4.88 116.67 109.77 1a90 s ASP 15 Ca 0.46 -0.80 0.00 0.00 0.18 0.00 0.00 52.55 52.39 1a90 s ASP 15 Cb -0.10 0.65 0.00 0.00 1.07 0.00 0.00 42.92 44.54 1a90 s ASP 15 CO 0.41 -1.23 0.00 -0.62 1.18 0.00 0.00 175.17 174.91 1a90 n GLU 16 N -0.41 -1.41 0.00 8.23 1.02 -1.26 -0.21 120.64 126.59 1a90 n GLU 16 Ca -0.03 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1a90 n GLU 16 Cb 0.61 -4.73 0.00 0.00 -0.02 0.00 0.00 31.44 27.30 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 -0.29 0.00 -3.08 1.62 4.05 -1.26 -4.66 115.26 111.63 1a90 n ASN 17 Ca -0.09 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 54.88 1a90 n ASN 17 Cb 0.34 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.35 1a90 n ASN 17 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1a90 n ASP 18 N 0.67 -6.92 -0.49 1.20 2.03 0.70 -3.67 116.55 110.07 1a90 n ASP 18 Ca 0.00 0.62 0.40 0.00 0.52 0.00 0.00 54.79 56.33 1a90 n ASP 18 Cb 0.00 -2.85 0.64 0.00 -0.72 0.00 0.00 41.12 38.20 1a90 n ASP 18 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1a90 n GLU 19 N 0.84 -0.02 0.21 -0.67 -0.00 -1.26 0.12 120.64 119.86 1a90 n GLU 19 Ca -0.00 1.05 -0.14 0.00 -0.00 0.00 0.00 57.16 58.06 1a90 n GLU 19 Cb 0.39 -2.19 -0.08 0.00 -0.00 0.00 0.00 31.44 29.56 1a90 n GLU 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1a90 h GLY 20 N 0.00 -0.55 1.52 -1.84 0.00 -1.99 -2.09 103.07 98.11 1a90 h GLY 20 Ca 0.80 0.20 0.06 0.00 0.00 0.00 0.00 47.33 48.39 1a90 h GLY 20 CO -0.26 -0.20 0.18 -2.00 0.00 0.00 0.00 176.54 174.26 1a90 h LEU 21 N -0.74 0.00 -0.31 3.11 5.85 0.79 -0.69 115.31 123.32 1a90 h LEU 21 Ca -0.05 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1a90 h LEU 21 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1a90 h LEU 21 CO 0.09 0.00 0.03 1.56 -0.34 0.00 0.00 178.44 179.78 1a90 h GLN 22 N 0.00 0.53 0.00 1.25 4.20 -0.73 -1.04 115.11 119.32 1a90 h GLN 22 Ca 0.10 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1a90 h GLN 22 Cb 0.46 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1a90 h GLN 22 CO -0.00 0.64 0.00 0.00 -0.67 0.00 0.00 178.83 178.80 1a90 h ARG 23 N 0.34 0.00 0.05 1.46 3.08 -0.50 -1.70 114.38 117.11 1a90 h ARG 23 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1a90 h ARG 23 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1a90 h ARG 23 CO 0.01 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.89 1a90 h ALA 24 N 2.03 -0.06 -0.69 0.04 0.00 -0.58 -1.91 119.26 118.09 1a90 h ALA 24 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1a90 h ALA 24 Cb 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1a90 h ALA 24 CO 0.00 -0.15 0.36 1.25 0.00 0.00 0.00 179.25 180.71 1a90 h LEU 25 N -0.83 0.86 -0.76 0.00 6.46 -0.92 -2.16 115.31 117.97 1a90 h LEU 25 Ca -0.01 -0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.55 1a90 h LEU 25 Cb 0.66 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1a90 h LEU 25 CO 0.01 0.70 -0.46 -0.61 -0.62 0.00 0.00 178.44 177.47 1a90 h GLN 26 N 0.96 0.38 0.37 1.25 4.15 -1.36 -0.19 115.11 120.67 1a90 h GLN 26 Ca 0.24 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 1a90 h GLN 26 Cb 0.05 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1a90 h GLN 26 CO -0.04 0.76 -0.18 0.35 -1.93 0.00 0.00 178.83 177.80 1a90 h PHE 27 N 0.31 -0.46 -0.04 3.99 3.04 -0.78 -2.32 116.94 120.68 1a90 h PHE 27 Ca 0.02 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1a90 h PHE 27 Cb 0.92 0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.59 1a90 h PHE 27 CO 0.03 -0.14 -0.02 0.00 -2.02 0.00 0.00 178.31 176.16 1a90 h ALA 28 N -0.61 0.06 -0.76 2.41 0.00 -1.48 -2.74 119.26 116.13 1a90 h ALA 28 Ca -0.05 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1a90 h ALA 28 Cb 0.53 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1a90 h ALA 28 CO 0.08 -0.21 0.36 0.97 0.00 0.00 0.00 179.25 180.46 1a90 h ILE 29 N -0.31 0.77 -0.85 0.00 6.09 -1.10 0.97 117.51 123.07 1a90 h ILE 29 Ca 0.01 -0.19 0.15 0.00 -1.37 0.00 0.00 64.86 63.46 1a90 h ILE 29 Cb 0.46 0.15 -0.10 0.00 0.47 0.00 0.00 36.82 37.80 1a90 h ILE 29 CO 0.01 0.10 0.43 0.00 -3.07 0.00 0.00 178.15 175.62 1a90 h ALA 30 N 1.49 1.29 -0.95 0.18 0.00 -1.32 1.06 119.26 121.01 1a90 h ALA 30 Ca 0.39 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1a90 h ALA 30 Cb 0.51 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1a90 h ALA 30 CO -0.33 -0.11 0.62 0.93 0.00 0.00 0.00 179.25 180.36 1a90 h GLU 31 N 0.60 1.15 -0.59 0.00 4.39 0.12 -1.63 114.58 118.63 1a90 h GLU 31 Ca 0.47 -0.07 0.11 0.00 0.34 0.00 0.00 59.36 60.21 1a90 h GLU 31 Cb 0.68 -0.26 -0.11 0.00 -0.10 0.00 0.00 28.75 28.96 1a90 h GLU 31 CO -0.37 0.76 -0.22 -0.92 -1.16 0.00 0.00 179.01 177.10 1a90 h TYR 32 N 1.19 -0.53 -0.84 4.33 5.03 0.31 0.52 116.97 126.98 1a90 h TYR 32 Ca 0.38 0.06 0.02 0.00 2.58 0.00 0.00 58.73 61.77 1a90 h TYR 32 Cb 0.02 0.32 -0.05 0.00 1.55 0.00 0.00 36.73 38.57 1a90 h TYR 32 CO -0.01 -0.31 0.55 -0.97 -1.32 0.00 0.00 178.16 176.10 1a90 h ASN 33 N -0.07 0.92 1.21 -2.11 -1.24 -0.85 -1.36 115.58 112.07 1a90 h ASN 33 Ca 0.27 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.26 1a90 h ASN 33 Cb 0.49 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1a90 h ASN 33 CO -0.64 0.64 -0.11 0.54 -1.29 0.00 0.00 177.43 176.58 1a90 n ARG 34 N -4.43 0.17 -0.00 6.67 1.74 0.81 -3.86 116.66 117.77 1a90 n ARG 34 Ca 0.10 0.12 -0.19 0.00 -0.77 0.00 0.00 57.85 57.12 1a90 n ARG 34 Cb 0.08 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 29.69 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 -1.69 1.00 0.57 7.54 0.00 0.15 -3.92 120.51 124.16 1a90 n ALA 35 Ca 0.06 -0.63 0.06 0.00 0.00 0.00 0.00 53.44 52.93 1a90 n ALA 35 Cb 0.40 -0.71 0.30 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.40 0.00 0.00 0.00 3.41 -0.68 -4.87 113.62 108.08 1a90 n SER 36 Ca -0.29 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1a90 n SER 36 Cb 1.05 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.24 0.00 0.00 4.04 5.03 -1.25 -4.72 115.26 117.11 1a90 n ASN 37 Ca 0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1a90 n ASN 37 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1a90 n ASP 38 N 4.13 0.00 0.00 6.41 2.03 -1.26 -4.92 116.55 122.94 1a90 n ASP 38 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1a90 n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.00 -0.00 -0.67 5.02 -1.26 -4.85 118.16 116.39 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 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.30 -1.12 -3.79 2.13 0.18 -1.25 -4.78 117.16 108.23 1a90 n TYR 40 Ca 0.00 0.01 -0.13 0.00 1.88 0.00 0.00 57.90 59.66 1a90 n TYR 40 Cb 0.00 0.01 -0.13 0.00 -0.38 0.00 0.00 39.34 38.84 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 -3.89 -0.18 -0.63 9.48 0.15 0.95 -4.40 113.70 115.18 1a90 s SER 41 Ca 0.00 0.37 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 1a90 s SER 41 Cb 0.00 0.33 0.16 0.00 -1.71 0.00 0.00 66.02 64.80 1a90 s SER 41 CO 0.00 -0.09 0.43 -0.94 1.20 0.00 0.00 173.24 173.83 1a90 s SER 42 N 0.47 5.03 0.00 5.45 1.04 -1.25 -0.03 113.70 124.40 1a90 s SER 42 Ca -0.03 -3.04 0.00 0.00 0.48 0.00 0.00 55.95 53.36 1a90 s SER 42 Cb -0.04 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1a90 s SER 42 CO -0.02 -0.30 0.00 -1.14 0.98 0.00 0.00 173.24 172.76 1a90 n ARG 43 N 3.19 2.75 -3.99 4.02 0.63 0.26 -4.12 116.66 119.40 1a90 n ARG 43 Ca 0.09 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.76 1a90 n ARG 43 Cb 0.36 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.23 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 0.00 1.95 0.00 5.15 1.01 -1.26 -0.20 120.40 127.05 1a90 s VAL 44 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1a90 s VAL 44 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.86 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 -1.53 0.00 -3.56 2.92 0.31 -1.26 -3.08 118.33 112.12 1a90 n VAL 45 Ca -0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.03 1a90 n VAL 45 Cb 0.64 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.46 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 -0.33 1.37 1.02 5.55 3.52 -1.26 -5.03 118.95 123.78 1a90 s ARG 46 Ca 0.00 -2.43 -0.22 0.00 -0.13 0.00 0.00 55.73 52.94 1a90 s ARG 46 Cb 0.00 -2.05 -0.11 0.00 -1.56 0.00 0.00 34.95 31.23 1a90 s ARG 46 CO 0.00 -1.34 -0.94 0.28 -0.81 0.00 0.00 175.30 172.49 1a90 n VAL 47 N 2.68 0.00 0.02 7.11 0.31 -1.26 -4.15 118.33 123.03 1a90 n VAL 47 Ca 0.25 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1a90 n VAL 47 Cb 0.43 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 -3.42 0.00 -3.51 2.52 5.41 -0.08 -4.89 119.36 115.39 1a90 n ILE 48 Ca -0.01 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.46 1a90 n ILE 48 Cb 0.67 -0.49 -0.11 0.00 -0.71 0.00 0.00 39.64 38.99 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 -4.93 2.61 -0.70 4.38 0.15 -1.19 -4.93 113.70 109.09 1a90 s SER 49 Ca 0.00 -2.73 -0.05 0.00 0.70 0.00 0.00 55.95 53.87 1a90 s SER 49 Cb 0.00 -0.61 0.18 0.00 -1.71 0.00 0.00 66.02 63.88 1a90 s SER 49 CO 0.00 -0.23 0.55 0.00 1.20 0.00 0.00 173.24 174.76 1a90 s ALA 50 N 0.37 3.76 0.21 5.45 0.00 -1.23 -2.22 121.76 128.10 1a90 s ALA 50 Ca 0.24 -3.34 0.03 0.00 0.00 0.00 0.00 51.96 48.89 1a90 s ALA 50 Cb -0.11 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1a90 s ALA 50 CO -0.09 -2.16 0.01 0.15 0.00 0.00 0.00 175.76 173.68 1a90 s LYS 51 N -0.15 1.26 -0.57 0.00 1.02 -0.44 -3.50 119.74 117.35 1a90 s LYS 51 Ca 0.18 -1.63 0.04 0.00 0.02 0.00 0.00 55.97 54.58 1a90 s LYS 51 Cb -0.17 -0.43 0.15 0.00 -0.52 0.00 0.00 37.83 36.86 1a90 s LYS 51 CO -0.05 -0.13 0.38 1.03 -0.92 0.00 0.00 175.35 175.65 1a90 s ARG 52 N -3.90 1.92 0.68 1.68 0.52 -0.52 -1.03 118.95 118.29 1a90 s ARG 52 Ca 0.28 -2.77 -0.17 0.00 -0.52 0.00 0.00 55.73 52.55 1a90 s ARG 52 Cb 0.06 -2.90 -0.12 0.00 0.52 0.00 0.00 34.95 32.51 1a90 s ARG 52 CO 0.07 -1.24 -0.07 1.04 0.02 0.00 0.00 175.30 175.12 1a90 n GLN 53 N 2.62 0.10 -3.82 3.54 6.02 0.22 -3.69 117.38 122.38 1a90 n GLN 53 Ca 0.16 0.05 -0.29 0.00 -0.01 0.00 0.00 57.00 56.91 1a90 n GLN 53 Cb 0.36 -1.26 -0.13 0.00 1.02 0.00 0.00 30.24 30.23 1a90 n GLN 53 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1a90 s LEU 54 N 4.05 3.86 0.00 1.08 0.20 -0.70 -1.71 118.68 125.47 1a90 s LEU 54 Ca 0.56 -3.27 0.00 0.00 0.69 0.00 0.00 54.13 52.11 1a90 s LEU 54 Cb -0.38 -1.38 0.00 0.00 -0.43 0.00 0.00 46.19 44.00 1a90 s LEU 54 CO 0.67 -0.17 0.00 0.55 -0.29 0.00 0.00 176.35 177.11 1a90 n VAL 55 N 2.72 0.00 -0.59 1.68 3.14 -1.26 -4.90 118.33 119.12 1a90 n VAL 55 Ca 0.14 0.00 0.48 0.00 -2.96 0.00 0.00 64.34 62.00 1a90 n VAL 55 Cb 0.35 -0.05 0.78 0.00 -1.06 0.00 0.00 33.84 33.87 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 -5.50 6.55 4.64 -2.02 -3.39 113.55 113.83 1a90 h SER 56 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1a90 h SER 56 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1a90 h SER 56 CO 0.00 0.00 -0.49 -0.83 -0.87 0.00 0.00 176.83 174.64 1a90 s GLY 57 N -3.85 1.21 0.14 -0.77 0.00 -1.26 -5.00 107.32 97.79 1a90 s GLY 57 Ca -0.05 -1.49 -0.14 0.00 0.00 0.00 0.00 44.72 43.05 1a90 s GLY 57 CO 0.84 -1.20 0.54 -0.42 0.00 0.00 0.00 173.10 172.86 1a90 s ILE 58 N -4.12 4.88 -0.12 0.90 1.09 -0.91 -4.51 121.20 118.41 1a90 s ILE 58 Ca 0.35 0.79 0.01 0.00 -1.10 0.00 0.00 60.65 60.69 1a90 s ILE 58 Cb 0.05 -3.73 -0.01 0.00 -1.06 0.00 0.00 42.46 37.71 1a90 s ILE 58 CO 0.11 0.24 -0.14 -0.54 -0.10 0.00 0.00 174.94 174.51 1a90 s LYS 59 N -1.96 3.28 -0.63 2.79 1.02 -0.69 -1.34 119.74 122.21 1a90 s LYS 59 Ca 0.37 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.54 1a90 s LYS 59 Cb -0.15 -2.58 0.16 0.00 -0.52 0.00 0.00 37.83 34.75 1a90 s LYS 59 CO 0.19 0.24 0.54 0.71 -0.92 0.00 0.00 175.35 176.11 1a90 s TYR 60 N 0.26 3.48 -0.19 3.18 1.51 0.16 0.73 117.35 126.48 1a90 s TYR 60 Ca -0.10 -1.85 -0.19 0.00 -1.01 0.00 0.00 57.07 53.92 1a90 s TYR 60 Cb -0.16 -3.65 -0.03 0.00 -0.11 0.00 0.00 41.96 38.01 1a90 s TYR 60 CO 0.06 -0.98 0.55 0.42 -1.11 0.00 0.00 175.55 174.48 1a90 s ILE 61 N 0.86 5.09 0.10 2.71 -1.09 -0.19 -1.30 121.20 127.38 1a90 s ILE 61 Ca 0.10 1.02 0.07 0.00 -2.23 0.00 0.00 60.65 59.62 1a90 s ILE 61 Cb -0.21 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 1a90 s ILE 61 CO -0.03 0.17 -0.19 -0.22 -1.23 0.00 0.00 174.94 173.44 1a90 s LEU 62 N 1.61 2.30 -0.16 2.97 0.20 0.96 -1.33 118.68 125.23 1a90 s LEU 62 Ca 0.26 -0.67 -0.17 0.00 0.69 0.00 0.00 54.13 54.23 1a90 s LEU 62 Cb -0.16 -0.79 0.05 0.00 -0.43 0.00 0.00 46.19 44.86 1a90 s LEU 62 CO 0.10 0.02 0.48 -1.10 -0.29 0.00 0.00 176.35 175.56 1a90 s GLN 63 N -1.88 0.60 -0.21 1.98 1.11 -0.94 -1.30 119.66 119.02 1a90 s GLN 63 Ca 0.04 0.56 -0.28 0.00 0.01 0.00 0.00 55.36 55.69 1a90 s GLN 63 Cb -0.10 0.29 0.13 0.00 -1.01 0.00 0.00 33.01 32.32 1a90 s GLN 63 CO 0.04 -0.09 1.04 0.14 0.01 0.00 0.00 175.29 176.42 1a90 s VAL 64 N 0.01 0.00 -1.41 1.09 -7.23 -0.90 -0.90 120.40 111.05 1a90 s VAL 64 Ca -0.02 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.07 1a90 s VAL 64 Cb -0.03 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 35.97 1a90 s VAL 64 CO 0.02 0.00 2.47 -0.62 -0.31 0.00 0.00 175.10 176.65 1a90 n GLU 65 N 1.28 4.09 0.00 4.82 1.02 -1.21 -1.64 120.64 129.00 1a90 n GLU 65 Ca -0.11 -3.05 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 1a90 n GLU 65 Cb 0.57 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.22 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 2.71 0.00 -2.86 -3.67 2.08 0.64 -2.55 119.36 115.70 1a90 n ILE 66 Ca 0.63 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.75 1a90 n ILE 66 Cb 0.27 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.18 1a90 n ILE 66 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1a90 s GLY 67 N 0.00 1.89 0.05 7.39 0.00 0.72 -1.91 107.32 115.46 1a90 s GLY 67 Ca 0.00 -1.58 -0.20 0.00 0.00 0.00 0.00 44.72 42.94 1a90 s GLY 67 CO 0.00 -1.33 0.59 1.09 0.00 0.00 0.00 173.10 173.45 1a90 s ARG 68 N -4.54 4.25 0.00 2.90 1.70 -1.26 0.89 118.95 122.89 1a90 s ARG 68 Ca 0.57 0.76 0.00 0.00 -0.47 0.00 0.00 55.73 56.58 1a90 s ARG 68 Cb -0.10 -3.27 0.00 0.00 -0.57 0.00 0.00 34.95 31.01 1a90 s ARG 68 CO 0.36 0.55 0.00 -2.37 -1.08 0.00 0.00 175.30 172.76 1a90 n THR 69 N 2.02 0.00 0.00 4.99 5.66 0.95 -3.21 114.28 124.69 1a90 n THR 69 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1a90 n THR 69 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1a90 n THR 69 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1a90 n THR 70 N 0.00 0.00 0.00 1.09 5.66 0.47 -0.64 114.28 120.86 1a90 n THR 70 Ca 0.00 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1a90 n THR 70 Cb 0.00 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 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 0.28 -1.70 -0.24 0.00 -0.04 -1.26 -3.82 135.00 128.21 1a90 n PRO 72 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1a90 n PRO 72 Cb 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.50 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 -0.08 0.00 0.54 3.11 -1.88 -3.40 116.57 114.85 1a90 h LYS 73 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1a90 h LYS 73 Cb 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1a90 h LYS 73 CO 0.00 -0.06 0.00 0.43 -2.81 0.00 0.00 179.45 177.01 1a90 n SER 74 N -5.46 0.00 0.00 4.20 7.64 -1.26 -4.54 113.62 114.19 1a90 n SER 74 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1a90 n SER 74 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1a90 n SER 74 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a90 n SER 75 N 1.49 0.00 0.00 6.43 7.64 -1.26 -5.14 113.62 122.78 1a90 n SER 75 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a90 n SER 75 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a90 n GLY 76 N 0.00 1.07 0.02 0.23 0.00 -1.26 -5.03 105.19 100.22 1a90 n GLY 76 Ca 0.00 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 1.03 0.00 1.61 9.92 -1.26 -4.95 116.55 122.90 1a90 n ASP 77 Ca 0.00 -1.01 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 1a90 n ASP 77 Cb 0.00 0.97 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 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 -1.44 0.00 -4.77 0.64 4.77 -1.26 -5.14 117.00 109.80 1a90 n LEU 78 Ca 0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 1a90 n LEU 78 Cb 0.34 0.06 0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1a90 n LEU 78 CO 0.42 -0.06 0.69 -1.10 -1.33 0.00 0.00 177.39 176.02 1a90 s GLN 79 N -0.17 2.11 0.00 3.23 -1.52 -1.26 -5.05 119.66 117.00 1a90 s GLN 79 Ca 0.00 0.99 0.00 0.00 -1.95 0.00 0.00 55.36 54.40 1a90 s GLN 79 Cb 0.00 -1.89 0.00 0.00 -0.22 0.00 0.00 33.01 30.90 1a90 s GLN 79 CO 0.00 -1.70 0.00 0.43 -0.25 0.00 0.00 175.29 173.77 1a90 n SER 80 N -3.53 0.00 0.00 5.90 7.64 -1.26 -4.82 113.62 117.55 1a90 n SER 80 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1a90 n SER 80 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a90 n GLU 82 N 0.00 0.00 -0.13 0.00 1.02 -1.26 0.18 120.64 120.44 1a90 n GLU 82 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1a90 n GLU 82 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 31.66 1a90 n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1a90 n PHE 83 N 0.00 0.45 -2.69 -0.32 3.72 -1.20 -1.16 117.46 116.26 1a90 n PHE 83 Ca 0.00 0.45 -0.05 0.00 -0.05 0.00 0.00 57.45 57.80 1a90 n PHE 83 Cb 0.00 -0.90 0.12 0.00 -0.94 0.00 0.00 39.48 37.76 1a90 n PHE 83 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1a90 n HIS 84 N -3.85 -2.29 -3.85 1.38 -0.00 -1.22 -3.00 115.22 102.39 1a90 n HIS 84 Ca 0.15 -1.82 -0.27 0.00 0.46 0.00 0.00 57.72 56.24 1a90 n HIS 84 Cb 0.53 1.59 0.03 0.00 -0.12 0.00 0.00 29.99 32.01 1a90 n HIS 84 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1a90 n ASP 85 N -1.01 -3.57 0.00 0.26 8.00 -0.63 -4.79 116.55 114.81 1a90 n ASP 85 Ca -0.09 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1a90 n ASP 85 Cb 0.86 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 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 -4.56 0.00 -0.00 -1.24 1.02 -1.26 -4.95 120.64 109.65 1a90 n GLU 86 Ca -0.07 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.89 1a90 n GLU 86 Cb 0.58 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.88 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 0.34 0.00 3.49 0.13 -1.91 0.12 132.00 134.17 1a90 h PRO 87 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1a90 h PRO 87 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1a90 h PRO 87 CO 0.00 1.07 0.00 0.39 -0.23 0.00 0.00 178.00 179.23 1a90 n GLU 88 N -4.28 0.03 -1.30 0.86 -0.58 -1.26 -1.82 120.64 112.29 1a90 n GLU 88 Ca -0.10 0.32 0.04 0.00 -0.42 0.00 0.00 57.16 57.00 1a90 n GLU 88 Cb 0.64 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 30.07 1a90 n GLU 88 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1a90 n LEU 89 N -1.44 1.27 -3.12 -4.62 4.32 -1.14 -4.88 117.00 107.39 1a90 n LEU 89 Ca 0.02 -2.30 -0.20 0.00 -0.02 0.00 0.00 56.01 53.51 1a90 n LEU 89 Cb 0.08 -0.09 -0.04 0.00 -1.62 0.00 0.00 43.42 41.75 1a90 n LEU 89 CO 0.07 0.65 -0.20 0.00 -1.22 0.00 0.00 177.39 176.69 1a90 n ALA 90 N 0.19 1.73 -1.00 -1.18 0.00 0.02 -3.40 120.51 116.86 1a90 n ALA 90 Ca 0.08 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1a90 n ALA 90 Cb 1.05 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 1.15 2.11 -3.97 0.00 5.02 -1.26 -4.80 118.16 116.41 1a90 n LYS 91 Ca 0.20 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.38 1a90 n LYS 91 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.56 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 0.00 0.52 -0.01 2.13 2.02 -1.26 -4.52 117.35 116.24 1a90 s TYR 92 Ca 0.00 -0.93 -0.11 0.00 -0.37 0.00 0.00 57.07 55.66 1a90 s TYR 92 Cb 0.00 0.30 0.01 0.00 -0.40 0.00 0.00 41.96 41.88 1a90 s TYR 92 CO 0.00 -1.23 0.22 -0.08 -1.57 0.00 0.00 175.55 172.89 1a90 s THR 93 N -3.16 0.07 -0.41 -0.71 -1.32 -0.80 -4.87 115.64 104.42 1a90 s THR 93 Ca 0.23 -0.56 -0.21 0.00 -1.21 0.00 0.00 61.69 59.94 1a90 s THR 93 Cb -0.02 -0.51 0.02 0.00 -1.51 0.00 0.00 72.50 70.48 1a90 s THR 93 CO 0.14 -0.31 0.67 -0.89 -2.21 0.00 0.00 174.62 172.02 1a90 s THR 94 N -1.28 4.81 0.10 5.08 2.01 -1.26 0.23 115.64 125.34 1a90 s THR 94 Ca -0.13 0.32 0.06 0.00 0.31 0.00 0.00 61.69 62.25 1a90 s THR 94 Cb -0.06 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1a90 s THR 94 CO 0.03 -0.53 -0.16 0.00 -0.69 0.00 0.00 174.62 173.26 1a90 s THR 96 N -1.50 1.48 -0.09 0.00 2.01 -0.69 -2.12 115.64 114.73 1a90 s THR 96 Ca 0.04 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1a90 s THR 96 Cb -0.08 -1.24 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 1a90 s THR 96 CO 0.03 0.38 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.75 1a90 s PHE 97 N -0.48 2.48 -0.35 4.92 0.08 -0.42 -1.61 117.98 122.60 1a90 s PHE 97 Ca 0.07 -0.94 0.03 0.00 0.12 0.00 0.00 56.93 56.21 1a90 s PHE 97 Cb -0.07 -1.65 0.10 0.00 -0.57 0.00 0.00 43.02 40.83 1a90 s PHE 97 CO -0.00 -0.36 0.08 0.08 -0.10 0.00 0.00 175.22 174.92 1a90 s VAL 98 N 0.21 2.01 -0.24 -0.44 1.01 -0.41 -0.02 120.40 122.53 1a90 s VAL 98 Ca -0.15 -2.25 -0.06 0.00 0.00 0.00 0.00 61.98 59.53 1a90 s VAL 98 Cb -0.17 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1a90 s VAL 98 CO 0.07 -0.64 0.02 -0.69 0.00 0.00 0.00 175.10 173.87 1a90 s VAL 99 N 0.93 3.88 -0.06 2.92 1.01 -0.42 -0.97 120.40 127.71 1a90 s VAL 99 Ca 0.11 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1a90 s VAL 99 Cb -0.19 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1a90 s VAL 99 CO -0.10 0.37 0.59 -0.47 0.00 0.00 0.00 175.10 175.48 1a90 s TYR 100 N 1.55 3.60 -0.14 5.22 5.04 -0.72 0.35 117.35 132.25 1a90 s TYR 100 Ca 0.06 1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 55.80 1a90 s TYR 100 Cb -0.15 -2.64 0.03 0.00 0.35 0.00 0.00 41.96 39.55 1a90 s TYR 100 CO 0.01 0.22 -0.06 -1.12 -1.34 0.00 0.00 175.55 173.25 1a90 s SER 101 N 0.35 2.56 -0.48 4.32 0.01 -0.45 -1.71 113.70 118.31 1a90 s SER 101 Ca 0.31 -0.52 -0.16 0.00 1.31 0.00 0.00 55.95 56.90 1a90 s SER 101 Cb -0.17 -0.87 0.07 0.00 0.21 0.00 0.00 66.02 65.26 1a90 s SER 101 CO 0.15 -0.16 0.42 -0.63 0.41 0.00 0.00 173.24 173.44 1a90 s ILE 102 N 1.67 5.19 0.02 1.44 1.01 -0.72 -2.14 121.20 127.67 1a90 s ILE 102 Ca 0.02 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.43 1a90 s ILE 102 Cb -0.14 -4.15 -0.17 0.00 0.01 0.00 0.00 42.46 38.01 1a90 s ILE 102 CO -0.08 -0.61 1.35 1.55 0.00 0.00 0.00 174.94 177.15 1a90 h PRO 103 N 8.78 -0.40 0.00 2.79 0.13 -1.94 0.50 132.00 141.86 1a90 h PRO 103 Ca -0.28 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1a90 h PRO 103 Cb 1.11 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1a90 h PRO 103 CO 0.89 -0.11 0.12 -2.67 -0.23 0.00 0.00 178.00 175.99 1a90 n TRP 104 N -5.16 0.22 -1.13 1.56 2.14 -1.26 -1.67 117.44 112.14 1a90 n TRP 104 Ca -0.10 0.12 0.01 0.00 2.07 0.00 0.00 57.50 59.60 1a90 n TRP 104 Cb 0.25 -0.59 0.01 0.00 -0.81 0.00 0.00 31.31 30.17 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 -1.68 0.44 -3.93 5.67 -0.00 -1.11 -5.02 117.00 111.37 1a90 n LEU 105 Ca -0.00 -0.75 -0.29 0.00 -0.00 0.00 0.00 56.01 54.96 1a90 n LEU 105 Cb 0.13 -0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.48 1a90 n LEU 105 CO 0.03 0.18 -0.25 -3.20 -0.00 0.00 0.00 177.39 174.15 1a90 n ASN 106 N -0.17 -1.04 -4.08 1.96 2.85 0.17 -4.87 115.26 110.08 1a90 n ASN 106 Ca 0.01 -0.97 -0.34 0.00 -0.11 0.00 0.00 54.58 53.18 1a90 n ASN 106 Cb 0.53 -1.18 -0.13 0.00 1.24 0.00 0.00 39.78 40.24 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 -6.56 1.81 -0.06 1.20 0.74 -0.51 -4.95 119.66 111.35 1a90 s GLN 107 Ca 0.17 -1.80 -0.06 0.00 0.05 0.00 0.00 55.36 53.72 1a90 s GLN 107 Cb -0.10 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 1a90 s GLN 107 CO 0.74 -0.98 0.19 0.42 -0.55 0.00 0.00 175.29 175.10 1a90 s ILE 108 N 1.05 5.43 -0.20 -2.34 1.01 -1.26 -1.76 121.20 123.13 1a90 s ILE 108 Ca 0.08 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.71 1a90 s ILE 108 Cb -0.21 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 38.83 1a90 s ILE 108 CO -0.06 0.49 0.51 -0.75 0.00 0.00 0.00 174.94 175.13 1a90 s LYS 109 N -1.43 0.54 0.86 2.79 2.20 -0.69 -5.02 119.74 118.99 1a90 s LYS 109 Ca 0.21 0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 56.56 1a90 s LYS 109 Cb -0.13 0.14 0.11 0.00 -1.51 0.00 0.00 37.83 36.44 1a90 s LYS 109 CO 0.11 -0.12 1.09 -1.17 -0.36 0.00 0.00 175.35 174.90 1a90 s LEU 110 N 0.99 2.38 0.00 5.43 2.96 -1.26 -1.75 118.68 127.42 1a90 s LEU 110 Ca -0.06 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.26 1a90 s LEU 110 Cb -0.06 -3.90 0.00 0.00 0.50 0.00 0.00 46.19 42.73 1a90 s LEU 110 CO -0.09 -2.39 0.00 0.18 -1.32 0.00 0.00 176.35 172.73 1a90 n LEU 111 N -3.72 0.00 -3.93 -0.68 4.77 -0.14 -4.80 117.00 108.50 1a90 n LEU 111 Ca 0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 1a90 n LEU 111 Cb 0.56 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1a90 n LEU 111 CO 0.56 0.00 1.58 -0.62 -1.33 0.00 0.00 177.39 177.58 1a90 n GLU 112 N -0.56 4.03 -3.77 3.23 -0.58 -1.16 -4.87 120.64 116.95 1a90 n GLU 112 Ca 0.00 -4.00 -0.36 0.00 -0.42 0.00 0.00 57.16 52.37 1a90 n GLU 112 Cb 0.00 -2.73 -0.12 0.00 -0.57 0.00 0.00 31.44 28.02 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1a90 s SER 113 N -0.37 5.25 -0.05 1.62 1.04 -1.25 -1.28 113.70 118.65 1a90 s SER 113 Ca 0.36 -1.90 -0.17 0.00 0.48 0.00 0.00 55.95 54.72 1a90 s SER 113 Cb 0.07 -1.83 0.03 0.00 0.10 0.00 0.00 66.02 64.40 1a90 s SER 113 CO 0.05 -0.51 0.39 -0.54 0.98 0.00 0.00 173.24 173.61 1a90 s LYS 114 N 1.18 0.70 -0.17 4.02 1.02 -0.63 -5.00 119.74 120.86 1a90 s LYS 114 Ca 0.06 0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.10 1a90 s LYS 114 Cb -0.22 0.32 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 1a90 s LYS 114 CO -0.03 -0.18 -0.20 0.00 -0.92 0.00 0.00 175.35 174.01