#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 -2.70 -2.01 4.61 0.00 -1.26 -4.91 120.51 114.24 1a90 n ALA 10 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 53.44 53.82 1a90 n ALA 10 Cb 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 19.45 17.93 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 -5.00 3.51 0.11 0.00 0.04 -1.26 -4.75 135.00 127.65 1a90 s PRO 11 Ca 0.00 0.53 0.08 0.00 0.04 0.00 0.00 61.00 61.65 1a90 s PRO 11 Cb 0.00 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1a90 s PRO 11 CO 0.00 -0.49 -0.13 0.08 0.04 0.00 0.00 177.00 176.50 1a90 s VAL 12 N -3.04 3.16 0.35 -0.36 1.01 -1.26 -4.96 120.40 115.29 1a90 s VAL 12 Ca 0.53 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1a90 s VAL 12 Cb -0.11 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 1a90 s VAL 12 CO 0.51 0.11 0.69 -2.16 0.00 0.00 0.00 175.10 174.25 1a90 s PRO 13 N -2.17 3.79 0.88 2.72 0.04 -1.26 -0.50 135.00 138.50 1a90 s PRO 13 Ca 0.20 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 61.51 1a90 s PRO 13 Cb -0.11 -2.48 0.12 0.00 0.04 0.00 0.00 34.50 32.07 1a90 s PRO 13 CO 0.12 0.09 1.09 0.54 0.04 0.00 0.00 177.00 178.88 1a90 s VAL 14 N -2.18 2.73 0.09 -0.36 0.11 -1.26 -4.75 120.40 114.79 1a90 s VAL 14 Ca 0.50 0.24 -0.26 0.00 -2.93 0.00 0.00 61.98 59.52 1a90 s VAL 14 Cb -0.10 -2.71 0.09 0.00 -1.53 0.00 0.00 36.38 32.12 1a90 s VAL 14 CO 0.27 -0.31 1.12 1.51 -3.33 0.00 0.00 175.10 174.36 1a90 s ASP 15 N -3.39 -0.07 -0.90 3.54 1.47 -1.26 -4.91 116.67 111.14 1a90 s ASP 15 Ca 0.63 -0.37 -0.02 0.00 1.18 0.00 0.00 52.55 53.98 1a90 s ASP 15 Cb -0.18 0.35 -0.02 0.00 -0.34 0.00 0.00 42.92 42.73 1a90 s ASP 15 CO 0.57 -0.67 0.77 -0.62 0.68 0.00 0.00 175.17 175.90 1a90 n GLU 16 N -0.58 -3.77 -0.67 2.11 4.71 -1.26 -2.14 120.64 119.04 1a90 n GLU 16 Ca -0.05 0.68 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 1a90 n GLU 16 Cb 0.61 -5.09 0.00 0.00 -1.01 0.00 0.00 31.44 25.95 1a90 n GLU 16 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1a90 n ASN 17 N -2.78 0.00 -3.71 1.62 2.85 -1.26 -4.25 115.26 107.74 1a90 n ASN 17 Ca -0.16 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.01 1a90 n ASN 17 Cb 0.62 -0.57 0.01 0.00 1.24 0.00 0.00 39.78 41.08 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 -5.03 -0.03 1.20 5.68 -0.91 -4.83 116.55 112.63 1a90 n ASP 18 Ca 0.00 -0.70 -0.19 0.00 -0.50 0.00 0.00 54.79 53.39 1a90 n ASP 18 Cb 0.00 -1.61 -0.13 0.00 -1.14 0.00 0.00 41.12 38.23 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1a90 h GLU 19 N 0.53 0.15 -0.61 0.11 4.11 -1.80 -2.22 114.58 114.85 1a90 h GLU 19 Ca -0.62 -0.25 -0.08 0.00 0.07 0.00 0.00 59.36 58.48 1a90 h GLU 19 Cb 1.41 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1a90 h GLU 19 CO 0.32 1.12 0.07 0.78 0.07 0.00 0.00 179.01 181.37 1a90 h GLY 20 N -0.49 1.09 1.49 1.06 0.00 -1.94 -1.85 103.07 102.44 1a90 h GLY 20 Ca -0.21 -0.73 -0.16 0.00 0.00 0.00 0.00 47.33 46.23 1a90 h GLY 20 CO 0.01 0.68 -0.55 -2.00 0.00 0.00 0.00 176.54 174.68 1a90 h LEU 21 N 0.95 0.59 -0.25 3.11 5.85 -1.94 -2.16 115.31 121.45 1a90 h LEU 21 Ca 0.18 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1a90 h LEU 21 Cb 0.45 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1a90 h LEU 21 CO 0.02 1.02 0.07 1.56 -0.34 0.00 0.00 178.44 180.77 1a90 h GLN 22 N 0.41 0.40 0.00 1.25 1.08 -1.09 -0.39 115.11 116.77 1a90 h GLN 22 Ca 0.01 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1a90 h GLN 22 Cb 1.09 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1a90 h GLN 22 CO 0.10 0.48 0.00 0.00 -0.95 0.00 0.00 178.83 178.46 1a90 h ARG 23 N 0.24 0.00 0.19 1.46 3.08 -1.31 -1.85 114.38 116.18 1a90 h ARG 23 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1a90 h ARG 23 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1a90 h ARG 23 CO -0.00 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.81 1a90 h ALA 24 N 2.01 -0.25 -0.93 0.04 0.00 -0.42 -2.21 119.26 117.50 1a90 h ALA 24 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a90 h ALA 24 Cb 0.22 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1a90 h ALA 24 CO 0.00 -0.32 0.58 1.25 0.00 0.00 0.00 179.25 180.76 1a90 h LEU 25 N -0.89 1.10 -1.82 0.00 6.46 -0.98 -0.62 115.31 118.55 1a90 h LEU 25 Ca -0.03 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1a90 h LEU 25 Cb 0.51 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1a90 h LEU 25 CO 0.04 0.83 -0.10 -0.61 -0.62 0.00 0.00 178.44 177.98 1a90 h GLN 26 N 1.27 0.00 0.22 1.25 4.15 -1.40 0.19 115.11 120.79 1a90 h GLN 26 Ca 0.33 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.74 1a90 h GLN 26 Cb -0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1a90 h GLN 26 CO -0.07 0.10 -0.11 0.35 -1.93 0.00 0.00 178.83 177.17 1a90 h PHE 27 N 0.00 -0.28 0.14 3.99 3.04 -0.46 -2.24 116.94 121.13 1a90 h PHE 27 Ca -0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1a90 h PHE 27 Cb 0.40 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.00 1a90 h PHE 27 CO 0.00 0.03 -0.07 0.00 -2.02 0.00 0.00 178.31 176.26 1a90 h ALA 28 N -0.69 -0.19 -0.90 2.41 0.00 -1.40 -2.70 119.26 115.79 1a90 h ALA 28 Ca -0.03 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 54.83 1a90 h ALA 28 Cb 0.44 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 1a90 h ALA 28 CO 0.05 -0.28 0.46 0.97 0.00 0.00 0.00 179.25 180.45 1a90 h ILE 29 N -0.84 0.62 -0.63 0.00 6.09 0.35 1.04 117.51 124.13 1a90 h ILE 29 Ca -0.02 -0.19 0.11 0.00 -1.37 0.00 0.00 64.86 63.38 1a90 h ILE 29 Cb 0.54 0.01 -0.08 0.00 0.47 0.00 0.00 36.82 37.76 1a90 h ILE 29 CO 0.03 0.10 0.22 0.00 -3.07 0.00 0.00 178.15 175.43 1a90 h ALA 30 N 1.64 0.82 0.00 0.18 0.00 -1.37 0.32 119.26 120.84 1a90 h ALA 30 Ca 0.53 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.50 1a90 h ALA 30 Cb 0.88 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1a90 h ALA 30 CO -0.43 -0.22 -0.21 0.93 0.00 0.00 0.00 179.25 179.31 1a90 h GLU 31 N 0.38 0.00 -0.23 0.00 5.08 0.13 -2.59 114.58 117.35 1a90 h GLU 31 Ca 0.33 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.58 1a90 h GLU 31 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1a90 h GLU 31 CO -0.35 0.21 -0.28 -0.92 -1.00 0.00 0.00 179.01 176.67 1a90 h TYR 32 N 0.00 0.73 -0.12 4.33 5.03 0.21 0.15 116.97 127.31 1a90 h TYR 32 Ca -0.00 -0.23 -0.00 0.00 2.58 0.00 0.00 58.73 61.07 1a90 h TYR 32 Cb 0.59 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 1a90 h TYR 32 CO 0.00 0.95 0.06 -0.97 -1.32 0.00 0.00 178.16 176.88 1a90 h ASN 33 N 0.30 0.15 1.05 -2.11 -1.24 -1.12 -1.46 115.58 111.16 1a90 h ASN 33 Ca 0.03 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.93 1a90 h ASN 33 Cb 0.85 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.86 1a90 h ASN 33 CO 0.07 0.22 0.00 -1.14 -1.29 0.00 0.00 177.43 175.28 1a90 n ARG 34 N -4.94 0.19 0.05 6.67 0.63 -0.99 -2.92 116.66 115.34 1a90 n ARG 34 Ca -0.05 0.29 0.12 0.00 -0.92 0.00 0.00 57.85 57.28 1a90 n ARG 34 Cb 0.08 -1.78 0.14 0.00 0.45 0.00 0.00 32.46 31.35 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a90 n ALA 35 N -1.73 3.09 0.06 5.13 0.00 0.52 -4.41 120.51 123.17 1a90 n ALA 35 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.15 1a90 n ALA 35 Cb 0.32 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.16 0.00 0.00 0.87 -1.16 -3.47 113.55 109.62 1a90 h SER 36 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1a90 h SER 36 Cb 0.72 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1a90 h SER 36 CO 0.00 0.06 0.00 0.59 -0.53 0.00 0.00 176.83 176.95 1a90 n ASN 37 N -3.49 0.00 0.00 6.23 4.13 -1.26 -4.95 115.26 115.92 1a90 n ASN 37 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1a90 n ASN 37 Cb 0.08 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1a90 n ASP 38 N 0.00 0.00 0.00 6.41 2.03 -1.26 -4.87 116.55 118.86 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 4.76 -1.26 -4.86 118.16 116.13 1a90 n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1a90 n LYS 39 Cb 0.00 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 1a90 n LYS 39 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 1a90 n TYR 40 N -0.26 0.00 -3.63 2.13 0.18 -1.12 -4.10 117.16 110.36 1a90 n TYR 40 Ca 0.00 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.75 1a90 n TYR 40 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 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 -0.03 -0.07 -0.33 9.48 0.15 -1.20 -4.95 113.70 116.76 1a90 s SER 41 Ca 0.00 0.03 -0.06 0.00 0.70 0.00 0.00 55.95 56.62 1a90 s SER 41 Cb 0.00 0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.41 1a90 s SER 41 CO 0.00 -0.09 0.08 -0.44 1.20 0.00 0.00 173.24 173.99 1a90 s SER 42 N -1.69 5.20 0.01 5.45 0.01 -1.26 -0.44 113.70 120.98 1a90 s SER 42 Ca 0.10 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1a90 s SER 42 Cb -0.01 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1a90 s SER 42 CO -0.05 -0.30 0.00 0.54 0.41 0.00 0.00 173.24 173.85 1a90 n ARG 43 N 4.79 2.35 -2.66 12.44 5.12 -0.43 -4.28 116.66 133.98 1a90 n ARG 43 Ca -0.13 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.56 1a90 n ARG 43 Cb 0.45 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.86 1a90 n ARG 43 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1a90 s VAL 44 N 1.64 2.09 0.00 1.55 0.11 -1.26 -1.57 120.40 122.96 1a90 s VAL 44 Ca 0.00 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1a90 s VAL 44 Cb 0.00 -2.43 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 1a90 s VAL 44 CO 0.00 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.29 1a90 n VAL 45 N -2.78 0.00 -3.58 2.04 0.31 -1.17 -3.91 118.33 109.24 1a90 n VAL 45 Ca 0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.20 1a90 n VAL 45 Cb 0.61 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.40 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 -0.30 0.64 1.14 5.55 3.52 -1.26 -4.99 118.95 123.25 1a90 s ARG 46 Ca 0.00 -1.24 -0.14 0.00 -0.13 0.00 0.00 55.73 54.23 1a90 s ARG 46 Cb 0.00 -1.59 0.23 0.00 -1.56 0.00 0.00 34.95 32.03 1a90 s ARG 46 CO 0.00 -1.12 0.81 0.28 -0.81 0.00 0.00 175.30 174.46 1a90 n VAL 47 N 4.36 0.00 0.00 7.11 0.31 -1.26 -4.16 118.33 124.69 1a90 n VAL 47 Ca 0.05 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1a90 n VAL 47 Cb 0.38 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 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 -4.78 0.00 0.00 2.52 5.41 -1.26 -4.91 119.36 116.35 1a90 n ILE 48 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1a90 n ILE 48 Cb 0.55 -0.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1a90 n ILE 48 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1a90 n SER 49 N -2.33 0.00 -3.87 4.38 7.64 -1.26 -4.99 113.62 113.19 1a90 n SER 49 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1a90 n SER 49 Cb 0.31 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.41 1a90 n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a90 s ALA 50 N -2.00 -0.31 0.15 -0.43 0.00 -1.26 -0.57 121.76 117.34 1a90 s ALA 50 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1a90 s ALA 50 Cb 0.00 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.24 1a90 s ALA 50 CO 0.00 -0.19 0.53 0.15 0.00 0.00 0.00 175.76 176.26 1a90 s LYS 51 N -1.19 1.23 -0.53 0.00 3.01 -0.19 -4.20 119.74 117.88 1a90 s LYS 51 Ca -0.13 -0.59 0.04 0.00 -1.01 0.00 0.00 55.97 54.28 1a90 s LYS 51 Cb -0.07 0.55 0.14 0.00 -1.01 0.00 0.00 37.83 37.44 1a90 s LYS 51 CO 0.01 -0.52 0.29 1.03 0.51 0.00 0.00 175.35 176.67 1a90 s ARG 52 N -3.78 1.90 0.66 1.68 3.00 0.35 -0.68 118.95 122.08 1a90 s ARG 52 Ca 0.02 -2.60 -0.17 0.00 0.00 0.00 0.00 55.73 52.98 1a90 s ARG 52 Cb -0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 34.95 31.78 1a90 s ARG 52 CO -0.11 -1.15 0.68 1.04 0.00 0.00 0.00 175.30 175.76 1a90 n GLN 53 N 3.03 0.49 -3.85 3.54 6.02 0.50 -4.04 117.38 123.07 1a90 n GLN 53 Ca 0.08 0.21 -0.32 0.00 -0.01 0.00 0.00 57.00 56.96 1a90 n GLN 53 Cb 0.33 -1.92 -0.12 0.00 1.02 0.00 0.00 30.24 29.55 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 -0.77 4.76 0.00 1.08 0.20 -1.26 -1.58 118.68 121.11 1a90 s LEU 54 Ca 0.70 -3.13 0.00 0.00 0.69 0.00 0.00 54.13 52.39 1a90 s LEU 54 Cb -0.38 -1.73 0.00 0.00 -0.43 0.00 0.00 46.19 43.65 1a90 s LEU 54 CO 0.54 -0.25 0.00 0.55 -0.29 0.00 0.00 176.35 176.89 1a90 n VAL 55 N 3.02 0.00 -0.56 1.68 3.14 -1.26 -4.86 118.33 119.48 1a90 n VAL 55 Ca 0.09 0.00 0.46 0.00 -2.96 0.00 0.00 64.34 61.93 1a90 n VAL 55 Cb 0.35 -0.01 0.75 0.00 -1.06 0.00 0.00 33.84 33.86 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 -5.40 6.55 4.64 -2.02 -3.40 113.55 113.93 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 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1a90 h SER 56 CO 0.00 0.00 -0.26 -0.83 -0.87 0.00 0.00 176.83 174.87 1a90 s GLY 57 N -3.80 1.00 0.09 -0.77 0.00 -1.26 -4.99 107.32 97.60 1a90 s GLY 57 Ca -0.05 -1.24 -0.24 0.00 0.00 0.00 0.00 44.72 43.19 1a90 s GLY 57 CO 0.80 -0.91 0.72 -0.42 0.00 0.00 0.00 173.10 173.29 1a90 s ILE 58 N -3.80 4.60 -0.20 0.90 1.09 -0.88 -4.55 121.20 118.36 1a90 s ILE 58 Ca 0.29 1.55 -0.09 0.00 -1.10 0.00 0.00 60.65 61.30 1a90 s ILE 58 Cb 0.01 -4.07 -0.04 0.00 -1.06 0.00 0.00 42.46 37.30 1a90 s ILE 58 CO 0.13 0.47 0.10 -0.54 -0.10 0.00 0.00 174.94 174.99 1a90 s LYS 59 N -0.70 4.05 -0.94 2.79 1.02 -0.61 -0.38 119.74 124.97 1a90 s LYS 59 Ca 0.35 -0.30 -0.14 0.00 0.02 0.00 0.00 55.97 55.90 1a90 s LYS 59 Cb -0.21 -3.33 0.21 0.00 -0.52 0.00 0.00 37.83 33.98 1a90 s LYS 59 CO 0.23 0.24 0.97 0.71 -0.92 0.00 0.00 175.35 176.58 1a90 s TYR 60 N 0.50 3.68 0.06 3.18 1.51 0.22 -0.37 117.35 126.13 1a90 s TYR 60 Ca 0.05 -1.99 -0.30 0.00 -1.01 0.00 0.00 57.07 53.82 1a90 s TYR 60 Cb -0.12 -3.98 -0.05 0.00 -0.11 0.00 0.00 41.96 37.71 1a90 s TYR 60 CO 0.00 -1.14 1.05 -1.50 -1.11 0.00 0.00 175.55 172.85 1a90 s ILE 61 N 0.62 4.46 -0.01 2.71 1.10 0.14 -1.46 121.20 128.77 1a90 s ILE 61 Ca 0.26 1.85 0.02 0.00 -0.51 0.00 0.00 60.65 62.27 1a90 s ILE 61 Cb -0.08 -4.18 -0.01 0.00 0.15 0.00 0.00 42.46 38.34 1a90 s ILE 61 CO -0.08 0.19 -0.07 -0.22 -2.11 0.00 0.00 174.94 172.65 1a90 s LEU 62 N 0.68 2.01 0.20 8.50 1.98 0.12 -1.03 118.68 131.15 1a90 s LEU 62 Ca 0.53 -0.13 0.10 0.00 -2.89 0.00 0.00 54.13 51.74 1a90 s LEU 62 Cb -0.25 -0.37 -0.04 0.00 0.66 0.00 0.00 46.19 46.19 1a90 s LEU 62 CO 0.29 0.09 -0.16 -1.10 -1.89 0.00 0.00 176.35 173.58 1a90 s GLN 63 N -0.16 1.81 0.28 1.98 -1.52 0.27 -1.16 119.66 121.17 1a90 s GLN 63 Ca 0.03 -1.43 -0.15 0.00 -1.95 0.00 0.00 55.36 51.86 1a90 s GLN 63 Cb -0.03 -2.00 0.01 0.00 -0.22 0.00 0.00 33.01 30.78 1a90 s GLN 63 CO -0.00 0.41 0.59 0.14 -0.25 0.00 0.00 175.29 176.18 1a90 s VAL 64 N -1.79 0.00 -0.10 1.09 -7.23 0.29 -4.26 120.40 108.40 1a90 s VAL 64 Ca 0.24 -1.24 0.03 0.00 -1.81 0.00 0.00 61.98 59.20 1a90 s VAL 64 Cb -0.08 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1a90 s VAL 64 CO 0.13 0.00 -0.18 -1.83 -0.31 0.00 0.00 175.10 172.91 1a90 s GLU 65 N -3.75 2.45 -0.08 4.82 -1.05 -1.26 -1.94 118.70 117.89 1a90 s GLU 65 Ca 0.18 -0.66 -0.04 0.00 -0.15 0.00 0.00 54.97 54.30 1a90 s GLU 65 Cb -0.03 -1.95 0.04 0.00 -0.44 0.00 0.00 34.13 31.75 1a90 s GLU 65 CO 0.09 0.05 0.19 0.96 0.95 0.00 0.00 175.26 177.51 1a90 s ILE 66 N 0.65 -0.04 0.03 1.83 -0.00 -0.40 -3.04 121.20 120.23 1a90 s ILE 66 Ca -0.13 0.16 0.00 0.00 -0.00 0.00 0.00 60.65 60.68 1a90 s ILE 66 Cb -0.16 -0.31 -0.00 0.00 -0.00 0.00 0.00 42.46 41.99 1a90 s ILE 66 CO 0.04 0.07 0.01 0.61 -0.00 0.00 0.00 174.94 175.66 1a90 n GLY 67 N 4.21 4.07 3.67 6.27 0.00 -0.61 -0.14 105.19 122.66 1a90 n GLY 67 Ca -0.26 -2.01 -0.27 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.12 2.06 -0.29 1.61 1.81 -1.26 -1.32 118.95 119.44 1a90 s ARG 68 Ca 0.01 -2.04 -0.02 0.00 -1.72 0.00 0.00 55.73 51.97 1a90 s ARG 68 Cb 0.00 -1.75 0.10 0.00 -0.45 0.00 0.00 34.95 32.85 1a90 s ARG 68 CO 0.01 -0.09 0.10 0.95 -0.68 0.00 0.00 175.30 175.58 1a90 s THR 69 N -2.68 0.65 0.00 0.02 -4.23 0.42 -3.32 115.64 106.50 1a90 s THR 69 Ca 0.36 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1a90 s THR 69 Cb 0.08 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.46 1a90 s THR 69 CO 0.19 -0.63 0.00 1.07 -0.54 0.00 0.00 174.62 174.71 1a90 n THR 70 N 4.95 0.00 -2.86 3.99 5.66 0.91 -2.79 114.28 124.14 1a90 n THR 70 Ca -0.04 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.95 1a90 n THR 70 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 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 1.13 -1.20 0.09 0.00 -0.04 -1.26 -4.05 135.00 129.67 1a90 n PRO 72 Ca -0.00 -0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 1a90 n PRO 72 Cb 0.44 -0.11 -0.06 0.00 -0.04 0.00 0.00 33.50 33.73 1a90 n PRO 72 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1a90 h LYS 73 N 0.00 -0.53 0.00 0.54 1.57 -1.90 -3.43 116.57 112.81 1a90 h LYS 73 Ca -0.03 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1a90 h LYS 73 Cb 0.08 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1a90 h LYS 73 CO 0.02 -0.36 0.00 0.43 -0.57 0.00 0.00 179.45 178.97 1a90 n SER 74 N -5.44 0.00 0.00 0.86 7.64 -1.26 -3.51 113.62 111.91 1a90 n SER 74 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1a90 n SER 74 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 1.87 0.00 0.00 6.43 3.41 -1.26 -5.08 113.62 118.99 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 3.75 0.10 0.00 5.00 0.00 -1.23 -5.13 105.19 107.68 1a90 n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.60 0.00 0.00 1.61 8.00 -1.26 -4.89 116.55 119.41 1a90 n ASP 77 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1a90 n ASP 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1a90 n LEU 78 N 0.00 0.87 -1.73 0.64 4.32 -1.26 -4.92 117.00 114.92 1a90 n LEU 78 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 1a90 n LEU 78 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1a90 n LEU 78 CO 0.00 0.00 -0.14 1.67 -1.22 0.00 0.00 177.39 177.70 1a90 n GLN 79 N -0.49 -0.96 -3.98 3.23 0.00 -1.26 -4.42 117.38 109.51 1a90 n GLN 79 Ca 0.00 1.12 -0.32 0.00 -0.00 0.00 0.00 57.00 57.80 1a90 n GLN 79 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.38 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 0.34 -4.18 -4.31 1.69 7.64 -1.26 -4.94 113.62 108.59 1a90 n SER 80 Ca -0.08 -0.83 -0.32 0.00 1.01 0.00 0.00 58.87 58.65 1a90 n SER 80 Cb 0.13 -3.38 -0.16 0.00 -1.01 0.00 0.00 64.21 59.80 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 3.19 0.34 0.00 0.00 -0.58 -1.26 -4.95 120.64 117.38 1a90 n GLU 82 Ca -0.18 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 55.65 1a90 n GLU 82 Cb 0.52 1.32 0.00 0.00 -0.57 0.00 0.00 31.44 32.71 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 -0.65 0.00 -2.80 -0.32 3.01 -1.21 -0.06 117.46 115.43 1a90 n PHE 83 Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 1a90 n PHE 83 Cb 0.46 -0.08 0.07 0.00 -0.01 0.00 0.00 39.48 39.92 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 -1.28 -2.42 -1.62 1.38 8.25 -1.26 -1.78 115.22 116.50 1a90 n HIS 84 Ca 0.00 -2.38 -0.07 0.00 -0.26 0.00 0.00 57.72 55.01 1a90 n HIS 84 Cb 0.00 1.31 -0.02 0.00 1.12 0.00 0.00 29.99 32.40 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 0.41 -1.99 0.00 0.41 9.92 -1.26 -4.66 116.55 119.38 1a90 n ASP 85 Ca 0.09 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 1a90 n ASP 85 Cb 0.69 -1.98 0.00 0.00 -0.64 0.00 0.00 41.12 39.19 1a90 n ASP 85 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1a90 n GLU 86 N -1.84 0.00 0.09 -1.24 0.28 -1.26 -4.99 120.64 111.68 1a90 n GLU 86 Ca -0.07 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.94 1a90 n GLU 86 Cb 0.33 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.17 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 -0.39 3.44 0.13 -2.00 -3.39 132.00 129.80 1a90 h PRO 87 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 1a90 h PRO 87 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1a90 h PRO 87 CO 0.00 0.44 0.23 -1.91 -0.23 0.00 0.00 178.00 176.53 1a90 n GLU 88 N -3.10 -0.02 -2.68 0.86 0.00 -1.26 -2.09 120.64 112.35 1a90 n GLU 88 Ca -0.03 0.44 -0.04 0.00 0.00 0.00 0.00 57.16 57.53 1a90 n GLU 88 Cb 0.79 -0.82 0.12 0.00 0.00 0.00 0.00 31.44 31.53 1a90 n GLU 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1a90 n LEU 89 N -3.56 -1.51 -0.38 4.31 -0.00 -1.26 -4.92 117.00 109.68 1a90 n LEU 89 Ca 0.13 -3.31 0.02 0.00 -0.00 0.00 0.00 56.01 52.85 1a90 n LEU 89 Cb 0.47 0.08 0.07 0.00 -0.00 0.00 0.00 43.42 44.04 1a90 n LEU 89 CO 0.03 1.77 0.53 0.00 -0.00 0.00 0.00 177.39 179.71 1a90 n ALA 90 N -1.16 2.53 -1.02 1.47 0.00 -0.89 -4.99 120.51 116.44 1a90 n ALA 90 Ca -0.11 -0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.13 1a90 n ALA 90 Cb 0.87 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.01 -1.72 -3.88 0.00 5.02 -1.26 -4.21 118.16 112.09 1a90 n LYS 91 Ca 0.05 1.30 -0.09 0.00 -2.02 0.00 0.00 58.31 57.55 1a90 n LYS 91 Cb 0.19 -2.28 -0.00 0.00 -0.02 0.00 0.00 35.03 32.91 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 -3.28 0.22 0.16 2.13 2.02 -1.26 -4.49 117.35 112.84 1a90 s TYR 92 Ca 0.00 -0.75 -0.22 0.00 -0.37 0.00 0.00 57.07 55.73 1a90 s TYR 92 Cb 0.00 0.61 0.06 0.00 -0.40 0.00 0.00 41.96 42.23 1a90 s TYR 92 CO 0.00 -1.38 0.57 -0.08 -1.57 0.00 0.00 175.55 173.09 1a90 s THR 93 N -2.93 0.01 -0.15 -0.71 -1.32 0.81 -4.95 115.64 106.39 1a90 s THR 93 Ca 0.17 -0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.58 1a90 s THR 93 Cb -0.04 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1a90 s THR 93 CO 0.12 -0.05 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.41 1a90 s THR 94 N -3.76 2.41 0.26 5.08 2.01 -1.26 -1.28 115.64 119.11 1a90 s THR 94 Ca 0.01 -0.86 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1a90 s THR 94 Cb -0.01 -2.00 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 1a90 s THR 94 CO -0.13 0.53 -0.07 0.00 -0.69 0.00 0.00 174.62 174.26 1a90 s THR 96 N -3.01 1.27 -0.10 0.00 2.01 -0.71 0.11 115.64 115.21 1a90 s THR 96 Ca 0.28 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1a90 s THR 96 Cb 0.03 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1a90 s THR 96 CO 0.11 0.37 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.85 1a90 s PHE 97 N -0.06 2.63 -0.29 4.92 0.08 -0.30 -1.42 117.98 123.53 1a90 s PHE 97 Ca -0.01 -0.79 0.02 0.00 0.12 0.00 0.00 56.93 56.27 1a90 s PHE 97 Cb -0.09 -1.73 0.08 0.00 -0.57 0.00 0.00 43.02 40.71 1a90 s PHE 97 CO 0.01 -0.27 0.00 0.08 -0.10 0.00 0.00 175.22 174.94 1a90 s VAL 98 N 0.18 1.80 -0.19 -0.44 1.01 -0.90 0.14 120.40 121.99 1a90 s VAL 98 Ca -0.11 -1.73 -0.02 0.00 0.00 0.00 0.00 61.98 60.11 1a90 s VAL 98 Cb -0.16 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1a90 s VAL 98 CO 0.06 -0.37 -0.08 -0.69 0.00 0.00 0.00 175.10 174.02 1a90 s VAL 99 N 1.20 3.14 0.35 2.92 1.01 -0.53 -1.64 120.40 126.86 1a90 s VAL 99 Ca 0.02 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1a90 s VAL 99 Cb -0.19 -2.39 -0.10 0.00 0.00 0.00 0.00 36.38 33.70 1a90 s VAL 99 CO -0.10 0.46 0.99 -0.47 0.00 0.00 0.00 175.10 175.98 1a90 s TYR 100 N 1.15 3.52 -0.28 5.22 5.04 -0.56 0.72 117.35 132.16 1a90 s TYR 100 Ca 0.01 1.72 -0.04 0.00 -2.44 0.00 0.00 57.07 56.33 1a90 s TYR 100 Cb -0.14 -3.01 0.10 0.00 0.35 0.00 0.00 41.96 39.25 1a90 s TYR 100 CO -0.02 -0.13 0.12 -1.54 -1.34 0.00 0.00 175.55 172.64 1a90 s SER 101 N -1.59 3.47 -0.52 4.32 1.04 0.49 -1.36 113.70 119.54 1a90 s SER 101 Ca 0.53 -1.26 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 1a90 s SER 101 Cb -0.20 -0.40 0.04 0.00 0.10 0.00 0.00 66.02 65.57 1a90 s SER 101 CO 0.25 -0.43 0.85 -0.63 0.98 0.00 0.00 173.24 174.27 1a90 s ILE 102 N 2.05 4.53 0.00 -1.02 1.01 -0.81 -2.07 121.20 124.90 1a90 s ILE 102 Ca 0.08 0.16 -0.25 0.00 0.00 0.00 0.00 60.65 60.64 1a90 s ILE 102 Cb -0.16 -4.45 -0.18 0.00 0.01 0.00 0.00 42.46 37.68 1a90 s ILE 102 CO -0.33 -0.98 1.28 1.55 0.00 0.00 0.00 174.94 176.47 1a90 h PRO 103 N 9.18 -0.17 0.00 2.79 0.13 -1.94 0.54 132.00 142.54 1a90 h PRO 103 Ca -0.26 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1a90 h PRO 103 Cb 1.08 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1a90 h PRO 103 CO 1.04 0.19 0.09 -2.67 -0.23 0.00 0.00 178.00 176.42 1a90 n TRP 104 N -5.00 0.16 -0.90 1.56 2.14 -1.26 -1.60 117.44 112.55 1a90 n TRP 104 Ca -0.09 0.08 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1a90 n TRP 104 Cb 0.23 -0.56 0.00 0.00 -0.81 0.00 0.00 31.31 30.18 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 -1.62 0.48 -4.00 5.67 -0.00 -1.13 -5.02 117.00 111.38 1a90 n LEU 105 Ca -0.00 -0.61 -0.35 0.00 -0.00 0.00 0.00 56.01 55.05 1a90 n LEU 105 Cb 0.10 -0.01 -0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1a90 n LEU 105 CO 0.02 0.15 -0.18 -3.20 -0.00 0.00 0.00 177.39 174.19 1a90 n ASN 106 N -0.15 -2.48 -3.87 1.96 5.15 0.18 -4.89 115.26 111.15 1a90 n ASN 106 Ca 0.01 -1.02 -0.30 0.00 -0.60 0.00 0.00 54.58 52.66 1a90 n ASN 106 Cb 0.47 -1.23 -0.15 0.00 -0.53 0.00 0.00 39.78 38.34 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1a90 s GLN 107 N -6.87 1.12 0.37 1.20 0.74 -0.47 -4.96 119.66 110.79 1a90 s GLN 107 Ca 0.32 -1.40 -0.04 0.00 0.05 0.00 0.00 55.36 54.29 1a90 s GLN 107 Cb -0.18 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.32 1a90 s GLN 107 CO 0.77 -0.93 0.64 0.42 -0.55 0.00 0.00 175.29 175.64 1a90 s ILE 108 N 1.29 4.99 -0.27 -2.34 1.01 -1.26 -1.92 121.20 122.71 1a90 s ILE 108 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.61 1a90 s ILE 108 Cb -0.18 -3.81 0.09 0.00 0.01 0.00 0.00 42.46 38.57 1a90 s ILE 108 CO -0.16 -0.56 0.64 -0.75 0.00 0.00 0.00 174.94 174.10 1a90 s LYS 109 N -4.14 0.63 0.75 2.79 2.47 -0.47 -4.97 119.74 116.79 1a90 s LYS 109 Ca 0.44 1.21 -0.12 0.00 -1.56 0.00 0.00 55.97 55.95 1a90 s LYS 109 Cb -0.10 0.28 0.05 0.00 -1.46 0.00 0.00 37.83 36.59 1a90 s LYS 109 CO 0.36 -0.17 1.10 -1.17 0.16 0.00 0.00 175.35 175.64 1a90 s LEU 110 N 1.91 3.12 0.00 5.43 2.96 -1.26 -1.50 118.68 129.34 1a90 s LEU 110 Ca -0.09 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.72 1a90 s LEU 110 Cb -0.07 -4.53 0.00 0.00 0.50 0.00 0.00 46.19 42.09 1a90 s LEU 110 CO -0.19 -1.98 0.00 0.18 -1.32 0.00 0.00 176.35 173.04 1a90 n LEU 111 N -3.25 0.00 -3.45 -0.68 4.32 -0.65 -4.83 117.00 108.46 1a90 n LEU 111 Ca 0.10 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.69 1a90 n LEU 111 Cb 0.53 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.31 1a90 n LEU 111 CO 0.52 0.00 2.76 1.21 -1.22 0.00 0.00 177.39 180.65 1a90 n GLU 112 N -0.33 4.14 -3.33 3.23 2.13 -1.13 -4.83 120.64 120.52 1a90 n GLU 112 Ca 0.00 -2.97 -0.47 0.00 0.66 0.00 0.00 57.16 54.38 1a90 n GLU 112 Cb 0.00 -2.74 -0.02 0.00 0.27 0.00 0.00 31.44 28.95 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 1.17 6.84 0.17 4.31 1.04 -1.25 -2.12 113.70 123.85 1a90 s SER 113 Ca 0.59 -2.80 -0.23 0.00 0.48 0.00 0.00 55.95 53.99 1a90 s SER 113 Cb 0.18 -2.21 0.07 0.00 0.10 0.00 0.00 66.02 64.15 1a90 s SER 113 CO -0.08 -0.54 0.61 -0.54 0.98 0.00 0.00 173.24 173.67 1a90 s LYS 114 N 0.00 1.31 -0.08 4.02 1.02 -0.51 -4.99 119.74 120.52 1a90 s LYS 114 Ca 0.20 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.67 1a90 s LYS 114 Cb -0.10 0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 37.77 1a90 s LYS 114 CO -0.09 -0.58 -0.00 0.00 -0.92 0.00 0.00 175.35 173.76