#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a90 s ALA 10 N 0.00 4.18 0.61 4.61 0.00 -1.26 -5.13 121.76 124.77 1a90 s ALA 10 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.43 1a90 s ALA 10 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1a90 s ALA 10 CO 0.00 -0.07 0.99 -1.25 0.00 0.00 0.00 175.76 175.43 1a90 s PRO 11 N -3.93 3.39 -0.03 0.00 0.04 -1.26 -4.79 135.00 128.43 1a90 s PRO 11 Ca 0.08 0.54 0.05 0.00 0.04 0.00 0.00 61.00 61.71 1a90 s PRO 11 Cb 0.01 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1a90 s PRO 11 CO 0.05 -0.61 -0.17 0.08 0.04 0.00 0.00 177.00 176.39 1a90 s VAL 12 N -3.12 2.85 0.47 -0.36 1.01 -1.18 -4.98 120.40 115.09 1a90 s VAL 12 Ca 0.54 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1a90 s VAL 12 Cb -0.11 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1a90 s VAL 12 CO 0.51 0.54 0.89 -2.16 0.00 0.00 0.00 175.10 174.89 1a90 s PRO 13 N -0.84 3.87 0.15 2.72 0.04 -1.26 -1.48 135.00 138.20 1a90 s PRO 13 Ca 0.12 0.74 0.07 0.00 0.04 0.00 0.00 61.00 61.97 1a90 s PRO 13 Cb -0.10 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1a90 s PRO 13 CO 0.01 -0.18 -0.02 0.08 0.04 0.00 0.00 177.00 176.94 1a90 s VAL 14 N -2.53 3.71 0.00 -0.36 1.01 -1.23 -4.87 120.40 116.12 1a90 s VAL 14 Ca 0.55 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1a90 s VAL 14 Cb -0.10 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1a90 s VAL 14 CO 0.32 -0.04 0.00 -0.90 0.00 0.00 0.00 175.10 174.48 1a90 n ASP 15 N 0.10 0.00 -2.94 3.32 5.68 -1.26 -4.99 116.55 116.46 1a90 n ASP 15 Ca -0.10 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.07 1a90 n ASP 15 Cb 0.54 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.54 1a90 n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1a90 n GLU 16 N -0.47 -2.39 -2.06 0.11 1.02 -1.26 -4.31 120.64 111.28 1a90 n GLU 16 Ca 0.00 2.07 -0.03 0.00 -0.02 0.00 0.00 57.16 59.17 1a90 n GLU 16 Cb 0.00 -5.06 0.02 0.00 -0.02 0.00 0.00 31.44 26.38 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 -0.17 -2.43 -3.77 1.62 5.15 -1.26 -4.96 115.26 109.44 1a90 n ASN 17 Ca 0.08 -0.13 -0.40 0.00 -0.60 0.00 0.00 54.58 53.53 1a90 n ASN 17 Cb 0.45 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 1a90 n ASN 17 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1a90 n ASP 18 N -1.61 6.40 -0.06 1.20 5.68 -1.26 -4.78 116.55 122.13 1a90 n ASP 18 Ca -0.03 -3.53 0.02 0.00 -0.50 0.00 0.00 54.79 50.74 1a90 n ASP 18 Cb 0.53 -1.14 0.34 0.00 -1.14 0.00 0.00 41.12 39.71 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 4.76 0.66 0.40 0.11 -0.00 -1.96 -0.55 114.58 118.01 1a90 h GLU 19 Ca 0.31 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.36 59.58 1a90 h GLU 19 Cb 0.51 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 29.13 1a90 h GLU 19 CO 1.21 0.49 -0.19 0.78 -0.00 0.00 0.00 179.01 181.30 1a90 h GLY 20 N 0.75 -0.57 1.35 1.06 0.00 -2.00 -2.01 103.07 101.65 1a90 h GLY 20 Ca 0.17 0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.80 1a90 h GLY 20 CO -0.03 -0.21 0.25 -2.00 0.00 0.00 0.00 176.54 174.55 1a90 h LEU 21 N -0.83 0.00 -0.63 3.11 6.46 -1.90 0.13 115.31 121.65 1a90 h LEU 21 Ca -0.06 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.61 1a90 h LEU 21 Cb 0.54 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1a90 h LEU 21 CO 0.09 0.00 -0.02 1.56 -0.62 0.00 0.00 178.44 179.45 1a90 h GLN 22 N 0.00 1.05 0.00 1.25 4.20 -0.57 -1.07 115.11 119.97 1a90 h GLN 22 Ca 0.14 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1a90 h GLN 22 Cb 0.63 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1a90 h GLN 22 CO -0.00 1.04 0.00 -0.09 -0.67 0.00 0.00 178.83 179.10 1a90 h ARG 23 N 0.95 0.00 0.06 1.46 1.12 -0.05 -1.46 114.38 116.47 1a90 h ARG 23 Ca 0.17 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.03 1a90 h ARG 23 Cb 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1a90 h ARG 23 CO 0.03 0.00 -0.03 0.00 -3.11 0.00 0.00 179.97 176.86 1a90 h ALA 24 N 2.03 -0.09 -0.80 2.80 0.00 -0.71 -2.15 119.26 120.35 1a90 h ALA 24 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1a90 h ALA 24 Cb 0.42 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1a90 h ALA 24 CO 0.00 -0.13 0.43 1.25 0.00 0.00 0.00 179.25 180.81 1a90 h LEU 25 N -0.93 1.00 -1.17 0.00 7.12 -1.18 -2.04 115.31 118.11 1a90 h LEU 25 Ca -0.01 -0.10 -0.05 0.00 0.13 0.00 0.00 57.88 57.85 1a90 h LEU 25 Cb 0.57 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1a90 h LEU 25 CO 0.01 0.81 -0.26 -0.61 -0.13 0.00 0.00 178.44 178.27 1a90 h GLN 26 N 1.11 0.00 0.20 1.25 4.15 -1.36 0.11 115.11 120.56 1a90 h GLN 26 Ca 0.28 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 1a90 h GLN 26 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1a90 h GLN 26 CO -0.04 0.26 -0.09 0.35 -1.93 0.00 0.00 178.83 177.37 1a90 h PHE 27 N 0.00 -0.25 0.03 3.99 3.04 -0.70 -2.18 116.94 120.88 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 0.73 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1a90 h PHE 27 CO 0.00 0.01 -0.02 0.00 -2.02 0.00 0.00 178.31 176.28 1a90 h ALA 28 N -0.81 -0.05 -0.57 2.41 0.00 -1.48 -2.94 119.26 115.82 1a90 h ALA 28 Ca -0.03 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1a90 h ALA 28 Cb 0.36 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1a90 h ALA 28 CO 0.04 -0.28 0.10 0.97 0.00 0.00 0.00 179.25 180.08 1a90 h ILE 29 N -0.53 0.64 -0.91 0.00 6.09 -0.79 0.66 117.51 122.67 1a90 h ILE 29 Ca -0.00 -0.08 0.25 0.00 -1.37 0.00 0.00 64.86 63.66 1a90 h ILE 29 Cb 0.49 0.39 -0.14 0.00 0.47 0.00 0.00 36.82 38.02 1a90 h ILE 29 CO 0.01 0.04 0.30 0.00 -3.07 0.00 0.00 178.15 175.43 1a90 h ALA 30 N 1.47 1.42 -0.53 0.18 0.00 -1.30 0.97 119.26 121.46 1a90 h ALA 30 Ca 0.30 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.38 1a90 h ALA 30 Cb 0.44 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1a90 h ALA 30 CO -0.40 -0.49 0.15 0.93 0.00 0.00 0.00 179.25 179.43 1a90 h GLU 31 N 0.23 0.84 -0.34 0.00 5.08 0.45 -2.41 114.58 118.42 1a90 h GLU 31 Ca 0.59 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.82 1a90 h GLU 31 Cb 1.24 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 1a90 h GLU 31 CO -0.65 0.78 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.22 1a90 h TYR 32 N 0.74 -0.02 -0.19 4.33 3.20 0.22 0.28 116.97 125.52 1a90 h TYR 32 Ca 0.17 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1a90 h TYR 32 Cb 0.31 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1a90 h TYR 32 CO 0.02 -0.06 0.00 -0.97 -1.64 0.00 0.00 178.16 175.51 1a90 h ASN 33 N 0.10 -0.07 0.64 -2.11 -0.00 -1.04 0.51 115.58 113.61 1a90 h ASN 33 Ca 0.16 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 1a90 h ASN 33 Cb 0.22 0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 1a90 h ASN 33 CO -0.27 -0.01 0.00 0.54 -0.00 0.00 0.00 177.43 177.69 1a90 n ARG 34 N -5.13 0.15 0.06 6.67 1.74 -0.81 -2.20 116.66 117.14 1a90 n ARG 34 Ca -0.03 0.40 0.12 0.00 -0.77 0.00 0.00 57.85 57.57 1a90 n ARG 34 Cb 0.10 -1.79 0.22 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.71 2.89 0.03 7.54 0.00 0.91 -4.37 120.51 125.79 1a90 n ALA 35 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 1a90 n ALA 35 Cb 0.20 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.09 0.00 0.00 0.87 -0.92 -3.49 113.55 109.93 1a90 h SER 36 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1a90 h SER 36 Cb 0.72 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1a90 h SER 36 CO 0.00 0.00 0.00 -0.46 -0.53 0.00 0.00 176.83 175.84 1a90 n ASN 37 N -2.62 0.00 0.16 6.23 6.94 -1.26 -4.90 115.26 119.80 1a90 n ASN 37 Ca -0.01 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.68 1a90 n ASN 37 Cb 0.04 0.00 0.47 0.00 -2.36 0.00 0.00 39.78 37.93 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1a90 h ASP 38 N 2.00 0.00 0.00 0.53 3.58 -1.94 -3.46 116.42 117.13 1a90 h ASP 38 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1a90 h ASP 38 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1a90 h ASP 38 CO 0.00 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 1a90 n LYS 39 N -2.47 -1.32 0.00 0.28 5.02 -1.26 -4.80 118.16 113.61 1a90 n LYS 39 Ca 0.03 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1a90 n LYS 39 Cb 0.33 -4.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.96 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 -2.28 -1.20 -3.72 2.13 4.11 -1.26 -4.92 117.16 110.02 1a90 n TYR 40 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.53 1a90 n TYR 40 Cb 0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.55 1a90 n TYR 40 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1a90 s SER 41 N -1.98 5.31 -0.21 9.48 0.15 -1.07 -4.95 113.70 120.43 1a90 s SER 41 Ca 0.00 -0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.23 1a90 s SER 41 Cb 0.00 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 1a90 s SER 41 CO 0.00 -0.09 0.20 -0.44 1.20 0.00 0.00 173.24 174.11 1a90 s SER 42 N 1.62 6.23 0.12 5.45 0.01 -1.26 -0.18 113.70 125.69 1a90 s SER 42 Ca 0.06 0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.60 1a90 s SER 42 Cb -0.16 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1a90 s SER 42 CO 0.05 0.09 -0.08 -0.60 0.41 0.00 0.00 173.24 173.12 1a90 s ARG 43 N 0.76 0.93 0.49 12.44 3.52 -0.83 -4.98 118.95 131.29 1a90 s ARG 43 Ca 0.10 -1.39 -0.07 0.00 -0.13 0.00 0.00 55.73 54.24 1a90 s ARG 43 Cb -0.13 -0.36 0.11 0.00 -1.56 0.00 0.00 34.95 33.01 1a90 s ARG 43 CO 0.03 0.01 0.25 1.55 -0.81 0.00 0.00 175.30 176.33 1a90 n VAL 44 N -0.11 0.00 0.01 7.11 3.14 -1.26 -1.27 118.33 125.94 1a90 n VAL 44 Ca -0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1a90 n VAL 44 Cb 0.61 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 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 -3.63 0.00 -3.73 1.55 0.31 -1.25 -3.72 118.33 107.86 1a90 n VAL 45 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.09 1a90 n VAL 45 Cb 0.17 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.99 1a90 n VAL 45 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1a90 n ARG 46 N -2.22 1.41 -0.80 5.55 3.00 -1.02 -4.97 116.66 117.61 1a90 n ARG 46 Ca 0.00 -4.13 -0.33 0.00 -0.00 0.00 0.00 57.85 53.39 1a90 n ARG 46 Cb 0.00 -2.10 0.12 0.00 0.00 0.00 0.00 32.46 30.48 1a90 n ARG 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1a90 n VAL 47 N 2.12 0.00 0.00 5.15 0.31 -1.26 -1.68 118.33 122.97 1a90 n VAL 47 Ca 0.23 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a90 n VAL 47 Cb 0.39 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 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 -3.63 0.00 -3.44 2.52 5.41 -0.74 -4.77 119.36 114.72 1a90 n ILE 48 Ca 0.05 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.59 1a90 n ILE 48 Cb 0.56 -0.36 -0.11 0.00 -0.71 0.00 0.00 39.64 39.01 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 -4.17 2.21 -0.36 4.38 0.15 -1.20 -4.92 113.70 109.78 1a90 s SER 49 Ca 0.00 -1.04 0.02 0.00 0.70 0.00 0.00 55.95 55.63 1a90 s SER 49 Cb 0.00 0.23 0.10 0.00 -1.71 0.00 0.00 66.02 64.65 1a90 s SER 49 CO 0.00 -0.39 0.10 0.00 1.20 0.00 0.00 173.24 174.15 1a90 s ALA 50 N 2.15 2.98 0.16 5.45 0.00 -1.25 -1.00 121.76 130.25 1a90 s ALA 50 Ca 0.10 -2.57 -0.07 0.00 0.00 0.00 0.00 51.96 49.42 1a90 s ALA 50 Cb -0.15 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 1a90 s ALA 50 CO -0.30 -1.73 0.24 0.15 0.00 0.00 0.00 175.76 174.12 1a90 s LYS 51 N 0.90 1.12 -0.18 0.00 1.02 -0.54 -3.53 119.74 118.52 1a90 s LYS 51 Ca 0.11 -1.24 -0.01 0.00 0.02 0.00 0.00 55.97 54.85 1a90 s LYS 51 Cb -0.20 0.35 0.05 0.00 -0.52 0.00 0.00 37.83 37.51 1a90 s LYS 51 CO -0.07 -0.39 -0.04 1.03 -0.92 0.00 0.00 175.35 174.96 1a90 s ARG 52 N -3.99 1.33 0.59 1.68 0.52 -0.55 -1.14 118.95 117.39 1a90 s ARG 52 Ca 0.19 -0.58 -0.11 0.00 -0.52 0.00 0.00 55.73 54.71 1a90 s ARG 52 Cb 0.04 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 1a90 s ARG 52 CO 0.01 -0.50 0.99 -1.14 0.02 0.00 0.00 175.30 174.68 1a90 s GLN 53 N 1.63 3.64 -0.44 3.54 0.74 -0.11 -3.10 119.66 125.55 1a90 s GLN 53 Ca -0.01 0.70 0.03 0.00 0.05 0.00 0.00 55.36 56.14 1a90 s GLN 53 Cb -0.16 -2.13 0.12 0.00 1.10 0.00 0.00 33.01 31.94 1a90 s GLN 53 CO -0.07 -0.48 0.19 -0.51 -0.55 0.00 0.00 175.29 173.86 1a90 s LEU 54 N -4.98 3.96 -0.44 3.68 2.01 -1.26 -1.62 118.68 120.03 1a90 s LEU 54 Ca 0.54 -2.60 0.06 0.00 0.01 0.00 0.00 54.13 52.14 1a90 s LEU 54 Cb -0.11 -1.46 0.42 0.00 0.01 0.00 0.00 46.19 45.05 1a90 s LEU 54 CO 0.50 -0.29 1.09 0.55 1.01 0.00 0.00 176.35 179.21 1a90 n VAL 55 N 3.63 2.36 0.00 -1.59 3.14 -1.26 -4.87 118.33 119.74 1a90 n VAL 55 Ca 0.05 -4.91 0.00 0.00 -2.96 0.00 0.00 64.34 56.52 1a90 n VAL 55 Cb 0.36 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 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 -0.45 0.00 -4.58 6.55 3.41 -1.26 -4.87 113.62 112.43 1a90 n SER 56 Ca 0.37 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.68 1a90 n SER 56 Cb 0.65 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 1a90 n SER 56 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a90 s GLY 57 N 0.00 1.78 0.49 5.00 0.00 -1.26 -4.96 107.32 108.37 1a90 s GLY 57 Ca 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 44.72 43.38 1a90 s GLY 57 CO 0.00 -1.16 0.91 -0.42 0.00 0.00 0.00 173.10 172.43 1a90 s ILE 58 N -1.18 4.65 -0.07 0.90 1.09 -0.83 -4.54 121.20 121.23 1a90 s ILE 58 Ca 0.21 0.94 0.05 0.00 -1.10 0.00 0.00 60.65 60.74 1a90 s ILE 58 Cb -0.11 -3.74 -0.01 0.00 -1.06 0.00 0.00 42.46 37.53 1a90 s ILE 58 CO 0.13 -0.68 -0.22 -0.54 -0.10 0.00 0.00 174.94 173.52 1a90 s LYS 59 N -4.13 2.70 -0.55 2.79 1.02 -0.64 -1.02 119.74 119.91 1a90 s LYS 59 Ca 0.55 -0.85 -0.06 0.00 0.02 0.00 0.00 55.97 55.64 1a90 s LYS 59 Cb -0.10 -2.26 0.14 0.00 -0.52 0.00 0.00 37.83 35.09 1a90 s LYS 59 CO 0.34 0.37 0.40 0.71 -0.92 0.00 0.00 175.35 176.25 1a90 s TYR 60 N -0.13 3.49 -0.02 3.18 2.02 0.34 -0.94 117.35 125.30 1a90 s TYR 60 Ca -0.04 -2.32 -0.21 0.00 -0.37 0.00 0.00 57.07 54.13 1a90 s TYR 60 Cb -0.14 -3.36 -0.05 0.00 -0.40 0.00 0.00 41.96 38.01 1a90 s TYR 60 CO 0.04 -0.93 0.60 0.42 -1.57 0.00 0.00 175.55 174.10 1a90 s ILE 61 N 0.65 4.94 0.01 2.71 -1.09 -0.29 -1.30 121.20 126.84 1a90 s ILE 61 Ca 0.12 1.24 0.02 0.00 -2.23 0.00 0.00 60.65 59.80 1a90 s ILE 61 Cb -0.21 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 1a90 s ILE 61 CO -0.03 0.40 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.80 1a90 s LEU 62 N -0.04 2.10 -0.06 2.97 1.98 0.80 -1.47 118.68 124.97 1a90 s LEU 62 Ca 0.31 -0.26 -0.09 0.00 -2.89 0.00 0.00 54.13 51.20 1a90 s LEU 62 Cb -0.18 -0.20 0.02 0.00 0.66 0.00 0.00 46.19 46.49 1a90 s LEU 62 CO 0.17 -0.05 0.24 -1.10 -1.89 0.00 0.00 176.35 173.72 1a90 s GLN 63 N -0.66 0.39 -0.29 1.98 -0.21 -0.17 -1.03 119.66 119.67 1a90 s GLN 63 Ca -0.03 0.11 -0.16 0.00 0.02 0.00 0.00 55.36 55.30 1a90 s GLN 63 Cb -0.05 0.18 0.15 0.00 1.00 0.00 0.00 33.01 34.29 1a90 s GLN 63 CO -0.00 -0.08 0.98 0.14 -2.12 0.00 0.00 175.29 174.21 1a90 s VAL 64 N -0.41 -0.05 -1.29 1.09 -7.23 -0.72 -1.78 120.40 110.00 1a90 s VAL 64 Ca -0.05 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.95 1a90 s VAL 64 Cb -0.03 -1.00 0.09 0.00 0.56 0.00 0.00 36.38 35.99 1a90 s VAL 64 CO 0.01 0.00 1.72 -0.62 -0.31 0.00 0.00 175.10 175.90 1a90 n GLU 65 N 3.81 3.21 -2.18 4.82 1.02 -0.68 -1.98 120.64 128.67 1a90 n GLU 65 Ca -0.18 -3.34 -0.42 0.00 -0.02 0.00 0.00 57.16 53.21 1a90 n GLU 65 Cb 0.57 -3.40 -0.03 0.00 -0.02 0.00 0.00 31.44 28.56 1a90 n GLU 65 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1a90 s ILE 66 N 3.66 3.24 0.41 -3.67 -4.36 0.05 -2.45 121.20 118.08 1a90 s ILE 66 Ca 0.51 0.94 0.07 0.00 -0.26 0.00 0.00 60.65 61.91 1a90 s ILE 66 Cb 0.04 -3.60 0.07 0.00 1.25 0.00 0.00 42.46 40.21 1a90 s ILE 66 CO 0.06 0.10 0.55 0.61 0.24 0.00 0.00 174.94 176.49 1a90 n GLY 67 N 3.04 2.01 3.34 6.27 0.00 -0.40 -1.37 105.19 118.08 1a90 n GLY 67 Ca 0.09 -2.20 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.84 1.56 -0.34 1.61 0.52 -1.26 -1.96 118.95 115.25 1a90 s ARG 68 Ca 0.42 -1.88 -0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1a90 s ARG 68 Cb -0.03 -0.20 0.11 0.00 0.52 0.00 0.00 34.95 35.34 1a90 s ARG 68 CO 0.26 -0.40 0.13 0.95 0.02 0.00 0.00 175.30 176.26 1a90 s THR 69 N -3.62 0.95 0.00 0.02 -4.23 0.75 -3.20 115.64 106.32 1a90 s THR 69 Ca 0.36 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1a90 s THR 69 Cb 0.06 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.19 1a90 s THR 69 CO 0.16 -0.73 0.00 1.07 -0.54 0.00 0.00 174.62 174.58 1a90 n THR 70 N 4.57 0.00 -3.84 3.99 5.66 0.32 -2.58 114.28 122.40 1a90 n THR 70 Ca 0.01 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.67 1a90 n THR 70 Cb 0.40 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.20 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 -3.88 0.00 -0.02 0.00 -0.04 -1.26 -2.81 135.00 126.98 1a90 n PRO 72 Ca -0.17 0.24 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1a90 n PRO 72 Cb 0.61 -0.86 -0.05 0.00 -0.04 0.00 0.00 33.50 33.16 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 0.19 -0.43 0.54 1.79 -1.91 -3.03 116.57 113.73 1a90 h LYS 73 Ca 0.00 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.51 1a90 h LYS 73 Cb 0.00 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.53 1a90 h LYS 73 CO 0.00 0.23 -0.48 0.66 -1.08 0.00 0.00 179.45 178.78 1a90 h SER 74 N 0.10 -1.60 -6.24 0.86 4.64 -1.96 -3.44 113.55 105.91 1a90 h SER 74 Ca 0.05 0.23 -0.45 0.00 -0.47 0.00 0.00 61.79 61.15 1a90 h SER 74 Cb 0.10 0.68 -0.19 0.00 -0.31 0.00 0.00 62.40 62.68 1a90 h SER 74 CO -0.01 -0.38 -0.66 -1.20 -0.87 0.00 0.00 176.83 173.71 1a90 n SER 75 N -5.40 -2.78 0.05 4.97 7.64 -1.13 -4.76 113.62 112.21 1a90 n SER 75 Ca -0.01 -0.69 0.04 0.00 1.01 0.00 0.00 58.87 59.21 1a90 n SER 75 Cb 0.35 -2.33 0.43 0.00 -1.01 0.00 0.00 64.21 61.64 1a90 n SER 75 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a90 h GLY 76 N -0.98 0.45 0.00 0.23 0.00 -1.85 -3.48 103.07 97.44 1a90 h GLY 76 Ca -0.47 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1a90 h GLY 76 CO 0.64 0.19 0.00 1.22 0.00 0.00 0.00 176.54 178.59 1a90 n ASP 77 N -4.42 -2.37 0.00 0.19 8.00 -1.26 -4.69 116.55 112.00 1a90 n ASP 77 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1a90 n ASP 77 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 0.00 -3.43 0.64 4.32 -1.26 -2.90 117.00 114.36 1a90 n LEU 78 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 1a90 n LEU 78 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1a90 n LEU 78 CO 0.00 0.00 -0.31 -1.10 -1.22 0.00 0.00 177.39 174.76 1a90 s GLN 79 N 0.00 0.84 0.00 3.23 -1.52 -1.26 -4.98 119.66 115.97 1a90 s GLN 79 Ca 0.00 -1.90 0.00 0.00 -1.95 0.00 0.00 55.36 51.51 1a90 s GLN 79 Cb 0.00 -1.45 0.00 0.00 -0.22 0.00 0.00 33.01 31.34 1a90 s GLN 79 CO 0.00 -1.33 0.00 0.43 -0.25 0.00 0.00 175.29 174.14 1a90 n SER 80 N 3.19 0.00 -4.50 5.90 7.64 -1.14 -5.08 113.62 119.63 1a90 n SER 80 Ca 0.24 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.55 1a90 n SER 80 Cb 0.44 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.06 0.91 0.00 0.00 2.12 -1.26 -4.92 118.70 115.49 1a90 s GLU 82 Ca 0.87 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1a90 s GLU 82 Cb -1.19 -0.87 0.00 0.00 0.26 0.00 0.00 34.13 32.32 1a90 s GLU 82 CO 0.56 0.18 0.00 0.34 -0.54 0.00 0.00 175.26 175.80 1a90 n PHE 83 N 0.99 0.00 -4.49 5.30 7.35 -1.25 -1.19 117.46 124.16 1a90 n PHE 83 Ca -0.19 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.16 1a90 n PHE 83 Cb 0.55 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.26 1a90 n PHE 83 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1a90 s HIS 84 N 0.00 2.98 0.17 -5.13 3.76 -1.19 -0.52 115.29 115.36 1a90 s HIS 84 Ca 0.00 -0.30 0.35 0.00 -0.15 0.00 0.00 55.06 54.96 1a90 s HIS 84 Cb 0.00 -1.90 1.56 0.00 1.11 0.00 0.00 32.58 33.35 1a90 s HIS 84 CO 0.00 -0.00 2.04 0.22 -0.85 0.00 0.00 174.74 176.15 1a90 h ASP 85 N 6.47 0.00 -2.08 1.40 3.58 -1.93 -3.15 116.42 120.72 1a90 h ASP 85 Ca -0.33 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.56 1a90 h ASP 85 Cb 1.19 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.84 1a90 h ASP 85 CO 0.60 0.00 -0.93 1.21 -2.88 0.00 0.00 179.24 177.24 1a90 n GLU 86 N -2.99 1.45 0.00 0.28 2.13 -1.26 -4.96 120.64 115.29 1a90 n GLU 86 Ca -0.00 -3.79 0.00 0.00 0.66 0.00 0.00 57.16 54.03 1a90 n GLU 86 Cb 0.24 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.30 1a90 n GLU 86 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1a90 n PRO 87 N 1.01 0.00 -3.55 5.31 -0.04 -1.19 -4.70 135.00 131.83 1a90 n PRO 87 Ca 0.25 0.37 -0.21 0.00 -0.04 0.00 0.00 63.50 63.87 1a90 n PRO 87 Cb 0.50 -0.87 0.05 0.00 -0.04 0.00 0.00 33.50 33.14 1a90 n PRO 87 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1a90 n GLU 88 N -1.97 -3.79 0.00 0.54 4.07 -1.26 -1.21 120.64 117.02 1a90 n GLU 88 Ca 0.00 0.68 0.00 0.00 -0.06 0.00 0.00 57.16 57.78 1a90 n GLU 88 Cb 0.00 -5.22 0.00 0.00 -0.06 0.00 0.00 31.44 26.16 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 -3.99 0.00 -2.21 4.31 -0.00 -1.26 -4.70 117.00 109.15 1a90 n LEU 89 Ca -0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.78 1a90 n LEU 89 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1a90 n LEU 89 CO 0.65 0.00 0.09 0.00 -0.00 0.00 0.00 177.39 178.12 1a90 n ALA 90 N -1.30 -2.59 -0.44 1.47 0.00 -0.35 -4.98 120.51 112.32 1a90 n ALA 90 Ca 0.00 0.34 -0.26 0.00 0.00 0.00 0.00 53.44 53.52 1a90 n ALA 90 Cb 0.00 -1.41 0.22 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.81 -3.08 -3.06 0.00 4.01 -1.24 -5.01 118.16 108.97 1a90 n LYS 91 Ca 0.03 -0.90 -0.09 0.00 -0.51 0.00 0.00 58.31 56.84 1a90 n LYS 91 Cb 0.34 -1.77 -0.01 0.00 -0.51 0.00 0.00 35.03 33.07 1a90 n LYS 91 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1a90 n TYR 92 N -5.00 -1.19 -4.39 2.13 4.01 -1.26 -4.82 117.16 106.64 1a90 n TYR 92 Ca 0.07 -1.46 -0.34 0.00 -0.16 0.00 0.00 57.90 56.01 1a90 n TYR 92 Cb 0.51 0.38 -0.15 0.00 -0.31 0.00 0.00 39.34 39.78 1a90 n TYR 92 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1a90 s THR 93 N -2.64 2.90 -0.52 -0.72 2.01 -0.47 -4.91 115.64 111.28 1a90 s THR 93 Ca 0.17 -0.68 -0.24 0.00 0.31 0.00 0.00 61.69 61.25 1a90 s THR 93 Cb -0.01 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 70.29 1a90 s THR 93 CO 0.13 0.50 0.90 -0.89 -0.69 0.00 0.00 174.62 174.56 1a90 s THR 94 N 0.90 4.46 0.18 -0.82 2.01 -1.26 -0.77 115.64 120.34 1a90 s THR 94 Ca -0.03 0.33 0.09 0.00 0.31 0.00 0.00 61.69 62.40 1a90 s THR 94 Cb -0.15 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.84 1a90 s THR 94 CO -0.01 -1.00 -0.13 0.00 -0.69 0.00 0.00 174.62 172.79 1a90 s THR 96 N -1.67 1.39 -0.11 0.00 2.01 -0.74 -1.75 115.64 114.78 1a90 s THR 96 Ca 0.24 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1a90 s THR 96 Cb -0.09 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1a90 s THR 96 CO 0.14 0.41 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.97 1a90 s PHE 97 N 0.29 2.76 -0.24 4.92 0.08 -0.20 -1.86 117.98 123.73 1a90 s PHE 97 Ca -0.09 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.42 1a90 s PHE 97 Cb -0.14 -1.77 0.06 0.00 -0.57 0.00 0.00 43.02 40.60 1a90 s PHE 97 CO 0.04 -0.12 -0.06 0.08 -0.10 0.00 0.00 175.22 175.06 1a90 s VAL 98 N 0.06 1.61 -0.08 -0.44 1.01 -0.87 -0.14 120.40 121.54 1a90 s VAL 98 Ca -0.06 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.67 1a90 s VAL 98 Cb -0.15 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1a90 s VAL 98 CO 0.05 -0.11 -0.22 -0.69 0.00 0.00 0.00 175.10 174.13 1a90 s VAL 99 N 1.35 1.86 0.05 2.92 1.01 -0.42 -1.02 120.40 126.15 1a90 s VAL 99 Ca -0.06 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 1a90 s VAL 99 Cb -0.19 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 1a90 s VAL 99 CO -0.06 0.52 0.71 -0.47 0.00 0.00 0.00 175.10 175.79 1a90 s TYR 100 N 0.31 3.74 -0.25 5.22 5.04 -0.65 0.13 117.35 130.89 1a90 s TYR 100 Ca -0.15 1.40 -0.01 0.00 -2.44 0.00 0.00 57.07 55.87 1a90 s TYR 100 Cb -0.17 -2.74 0.08 0.00 0.35 0.00 0.00 41.96 39.48 1a90 s TYR 100 CO 0.07 0.34 0.03 -1.54 -1.34 0.00 0.00 175.55 173.11 1a90 s SER 101 N -0.27 3.68 -0.52 4.32 1.04 -0.19 -1.67 113.70 120.09 1a90 s SER 101 Ca 0.36 -1.28 -0.16 0.00 0.48 0.00 0.00 55.95 55.35 1a90 s SER 101 Cb -0.20 -0.92 0.12 0.00 0.10 0.00 0.00 66.02 65.11 1a90 s SER 101 CO 0.21 -0.33 0.47 -0.63 0.98 0.00 0.00 173.24 173.95 1a90 s ILE 102 N 1.58 5.17 0.03 -1.02 1.01 -0.82 -1.97 121.20 125.18 1a90 s ILE 102 Ca 0.02 -1.43 -0.25 0.00 0.00 0.00 0.00 60.65 58.99 1a90 s ILE 102 Cb -0.18 -4.27 -0.17 0.00 0.01 0.00 0.00 42.46 37.85 1a90 s ILE 102 CO -0.13 -0.81 1.46 1.55 0.00 0.00 0.00 174.94 177.01 1a90 h PRO 103 N 8.84 -0.16 0.00 2.79 0.13 -1.93 0.46 132.00 142.13 1a90 h PRO 103 Ca -0.29 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1a90 h PRO 103 Cb 1.10 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1a90 h PRO 103 CO 1.00 0.09 0.06 -2.67 -0.23 0.00 0.00 178.00 176.24 1a90 n TRP 104 N -5.06 0.13 -1.28 1.56 2.14 -1.26 -1.63 117.44 112.05 1a90 n TRP 104 Ca -0.09 0.07 0.02 0.00 2.07 0.00 0.00 57.50 59.57 1a90 n TRP 104 Cb 0.18 -0.56 0.03 0.00 -0.81 0.00 0.00 31.31 30.16 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 -1.60 0.79 -3.94 5.67 -0.00 -1.09 -5.02 117.00 111.81 1a90 n LEU 105 Ca -0.00 -1.36 -0.31 0.00 -0.00 0.00 0.00 56.01 54.34 1a90 n LEU 105 Cb 0.06 -0.10 -0.01 0.00 -0.00 0.00 0.00 43.42 43.38 1a90 n LEU 105 CO 0.02 0.33 -0.18 -3.20 -0.00 0.00 0.00 177.39 174.36 1a90 n ASN 106 N -0.39 -2.01 -3.89 1.96 2.85 0.04 -4.88 115.26 108.94 1a90 n ASN 106 Ca 0.04 -0.93 -0.30 0.00 -0.11 0.00 0.00 54.58 53.27 1a90 n ASN 106 Cb 0.58 -1.13 -0.14 0.00 1.24 0.00 0.00 39.78 40.32 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 -6.63 1.42 -0.13 1.20 0.74 -0.54 -4.99 119.66 110.72 1a90 s GLN 107 Ca 0.27 -1.92 -0.07 0.00 0.05 0.00 0.00 55.36 53.68 1a90 s GLN 107 Cb -0.15 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1a90 s GLN 107 CO 0.70 -1.03 0.13 -1.50 -0.55 0.00 0.00 175.29 173.05 1a90 s ILE 108 N 0.66 5.43 -0.06 -2.34 2.07 -1.26 -1.94 121.20 123.75 1a90 s ILE 108 Ca 0.13 0.18 -0.04 0.00 -1.41 0.00 0.00 60.65 59.51 1a90 s ILE 108 Cb -0.21 -3.38 0.03 0.00 0.13 0.00 0.00 42.46 39.02 1a90 s ILE 108 CO -0.08 0.59 0.15 -0.75 -1.91 0.00 0.00 174.94 172.95 1a90 s LYS 109 N -0.81 0.15 0.71 3.50 2.47 -0.67 -4.99 119.74 120.09 1a90 s LYS 109 Ca 0.14 0.29 -0.11 0.00 -1.56 0.00 0.00 55.97 54.73 1a90 s LYS 109 Cb -0.12 -0.03 0.01 0.00 -1.46 0.00 0.00 37.83 36.24 1a90 s LYS 109 CO 0.03 -0.08 1.06 -1.17 0.16 0.00 0.00 175.35 175.35 1a90 s LEU 110 N 0.56 3.08 0.00 5.43 2.96 -1.26 -1.63 118.68 127.81 1a90 s LEU 110 Ca -0.04 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.46 1a90 s LEU 110 Cb -0.05 -4.44 0.00 0.00 0.50 0.00 0.00 46.19 42.19 1a90 s LEU 110 CO -0.03 -1.50 0.00 0.18 -1.32 0.00 0.00 176.35 173.68 1a90 n LEU 111 N -3.17 0.00 -3.58 -0.68 4.32 -0.19 -4.84 117.00 108.87 1a90 n LEU 111 Ca 0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.66 1a90 n LEU 111 Cb 0.54 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1a90 n LEU 111 CO 0.56 0.00 2.34 1.21 -1.22 0.00 0.00 177.39 180.27 1a90 n GLU 112 N -0.23 4.26 -3.42 3.23 2.13 -1.14 -4.85 120.64 120.62 1a90 n GLU 112 Ca 0.00 -3.41 -0.45 0.00 0.66 0.00 0.00 57.16 53.97 1a90 n GLU 112 Cb 0.00 -2.73 -0.04 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 0.62 6.41 0.14 4.31 1.04 -1.25 -2.05 113.70 122.92 1a90 s SER 113 Ca 0.51 -2.74 -0.24 0.00 0.48 0.00 0.00 55.95 53.95 1a90 s SER 113 Cb 0.16 -2.13 0.07 0.00 0.10 0.00 0.00 66.02 64.22 1a90 s SER 113 CO -0.06 -0.52 0.68 -0.54 0.98 0.00 0.00 173.24 173.78 1a90 s LYS 114 N 0.09 1.24 0.05 4.02 -0.14 -0.78 -4.99 119.74 119.23 1a90 s LYS 114 Ca 0.18 -0.50 0.05 0.00 -1.36 0.00 0.00 55.97 54.34 1a90 s LYS 114 Cb -0.12 0.54 -0.04 0.00 -1.68 0.00 0.00 37.83 36.53 1a90 s LYS 114 CO -0.08 -0.55 -0.07 0.00 -0.76 0.00 0.00 175.35 173.90