#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tij s ARG 8 N 0.00 0.25 0.04 -0.52 3.52 -1.26 -5.06 118.95 115.92 1tij s ARG 8 Ca 0.00 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 55.00 1tij s ARG 8 Cb 0.00 -1.06 -0.02 0.00 -1.56 0.00 0.00 34.95 32.31 1tij s ARG 8 CO 0.00 -1.04 0.94 1.28 -0.81 0.00 0.00 175.30 175.67 1tij n LEU 9 N 5.16 -0.29 -3.64 -0.88 4.77 -1.26 -4.38 117.00 116.47 1tij n LEU 9 Ca -0.04 1.01 -0.21 0.00 -0.03 0.00 0.00 56.01 56.74 1tij n LEU 9 Cb 0.43 -0.32 -0.17 0.00 -2.33 0.00 0.00 43.42 41.03 1tij n LEU 9 CO 0.04 -0.66 -0.31 0.54 -1.33 0.00 0.00 177.39 175.68 1tij s VAL 10 N -3.84 -0.15 0.25 4.08 0.11 -1.26 -3.08 120.40 116.50 1tij s VAL 10 Ca -0.03 0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 1tij s VAL 10 Cb 0.03 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1tij s VAL 10 CO 0.17 0.01 0.20 -0.83 -3.33 0.00 0.00 175.10 171.32 1tij s GLY 11 N 2.20 1.67 0.93 6.54 0.00 -1.26 -5.06 107.32 112.34 1tij s GLY 11 Ca 0.04 -1.77 -0.16 0.00 0.00 0.00 0.00 44.72 42.84 1tij s GLY 11 CO -0.06 -1.37 1.27 0.61 0.00 0.00 0.00 173.10 173.55 1tij n GLY 12 N -0.39 -1.43 3.78 0.20 0.00 -1.26 -4.83 105.19 101.27 1tij n GLY 12 Ca 0.03 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 1tij n GLY 12 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tij s PRO 13 N -5.77 4.14 0.34 1.61 0.02 -1.26 -4.77 135.00 129.30 1tij s PRO 13 Ca 0.72 0.47 0.09 0.00 0.02 0.00 0.00 61.00 62.30 1tij s PRO 13 Cb -0.02 -3.31 -0.05 0.00 0.02 0.00 0.00 34.50 31.14 1tij s PRO 13 CO 0.51 0.46 0.08 0.00 -0.33 0.00 0.00 177.00 177.72 1tij s MET 14 N -0.38 2.24 0.12 5.54 0.23 -0.56 -4.89 119.30 121.61 1tij s MET 14 Ca 0.25 -1.62 -0.30 0.00 -1.03 0.00 0.00 55.69 52.99 1tij s MET 14 Cb -0.16 -2.07 -0.06 0.00 -1.53 0.00 0.00 34.83 31.01 1tij s MET 14 CO 0.13 0.14 0.96 -0.51 -2.03 0.00 0.00 175.02 173.71 1tij s ASP 15 N -3.78 7.50 0.37 -1.18 1.01 -1.26 -0.22 116.67 119.12 1tij s ASP 15 Ca 0.36 1.81 0.07 0.00 0.71 0.00 0.00 52.55 55.50 1tij s ASP 15 Cb -0.02 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1tij s ASP 15 CO 0.21 -0.05 0.38 0.00 0.21 0.00 0.00 175.17 175.92 1tij s ALA 16 N -0.08 4.06 0.23 5.23 0.00 0.19 -4.86 121.76 126.54 1tij s ALA 16 Ca 0.47 -1.71 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 1tij s ALA 16 Cb -0.24 -1.25 -0.08 0.00 0.00 0.00 0.00 23.12 21.55 1tij s ALA 16 CO 0.30 -0.11 0.76 0.45 0.00 0.00 0.00 175.76 177.16 1tij s SER 17 N -4.11 7.13 0.00 0.00 0.15 -1.26 -4.75 113.70 110.86 1tij s SER 17 Ca 0.46 1.50 0.09 0.00 0.70 0.00 0.00 55.95 58.70 1tij s SER 17 Cb -0.06 -2.45 0.56 0.00 -1.71 0.00 0.00 66.02 62.36 1tij s SER 17 CO 0.28 0.03 1.10 1.33 1.20 0.00 0.00 173.24 177.18 1tij n VAL 18 N 0.77 0.00 0.55 4.45 0.24 -1.26 -1.80 118.33 121.29 1tij n VAL 18 Ca -0.02 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.39 1tij n VAL 18 Cb 0.51 -0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 1tij n VAL 18 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1tij n GLU 19 N -0.72 0.30 -1.80 7.34 1.02 -1.26 -4.72 120.64 120.80 1tij n GLU 19 Ca 0.07 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 1tij n GLU 19 Cb 0.03 -1.56 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 1tij n GLU 19 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1tij s GLU 20 N -3.22 4.12 0.16 3.49 2.02 -0.74 -4.85 118.70 119.68 1tij s GLU 20 Ca 0.02 2.57 -0.16 0.00 0.02 0.00 0.00 54.97 57.42 1tij s GLU 20 Cb 0.15 -3.00 0.03 0.00 0.10 0.00 0.00 34.13 31.41 1tij s GLU 20 CO 0.84 -0.58 1.81 1.49 0.02 0.00 0.00 175.26 178.84 1tij h GLU 21 N 4.00 0.50 -0.17 1.61 4.81 -1.93 0.22 114.58 123.62 1tij h GLU 21 Ca -0.49 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.76 1tij h GLU 21 Cb 1.23 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 1tij h GLU 21 CO 0.72 0.33 -0.29 0.78 -0.73 0.00 0.00 179.01 179.83 1tij h GLY 22 N 0.51 -0.33 1.00 1.92 0.00 -1.97 0.46 103.07 104.67 1tij h GLY 22 Ca 0.16 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1tij h GLY 22 CO -0.06 -0.21 0.33 -2.08 0.00 0.00 0.00 176.54 174.52 1tij h VAL 23 N -0.34 1.21 -0.26 4.60 2.07 -1.75 0.44 116.25 122.22 1tij h VAL 23 Ca 0.11 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1tij h VAL 23 Cb 0.51 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1tij h VAL 23 CO -0.36 0.23 -0.12 0.03 0.02 0.00 0.00 177.57 177.37 1tij h ARG 24 N 0.86 -0.08 0.16 1.57 3.08 0.37 0.30 114.38 120.64 1tij h ARG 24 Ca 0.22 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1tij h ARG 24 Cb 0.07 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1tij h ARG 24 CO -0.03 -0.05 -0.08 0.00 -1.07 0.00 0.00 179.97 178.74 1tij h ARG 25 N -0.08 -0.20 -1.02 0.04 3.08 0.18 -1.15 114.38 115.22 1tij h ARG 25 Ca 0.14 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.46 1tij h ARG 25 Cb 0.29 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.27 1tij h ARG 25 CO -0.32 0.12 0.62 0.00 -1.07 0.00 0.00 179.97 179.33 1tij h ALA 26 N 0.22 1.95 0.58 0.04 0.00 -0.61 0.42 119.26 121.85 1tij h ALA 26 Ca -0.02 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1tij h ALA 26 Cb 0.42 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1tij h ALA 26 CO 0.04 -0.41 -0.28 1.25 0.00 0.00 0.00 179.25 179.85 1tij h LEU 27 N 0.51 -0.66 -1.71 0.00 5.85 -0.17 -2.35 115.31 116.78 1tij h LEU 27 Ca 0.64 0.02 0.24 0.00 0.84 0.00 0.00 57.88 59.62 1tij h LEU 27 Cb 1.35 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.49 1tij h LEU 27 CO -0.42 -0.34 0.64 0.44 -0.34 0.00 0.00 178.44 178.42 1tij h ASP 28 N -1.03 0.22 -0.24 1.25 3.45 0.17 -0.94 116.42 119.30 1tij h ASP 28 Ca -0.08 0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.35 1tij h ASP 28 Cb 0.59 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 1tij h ASP 28 CO 0.13 0.07 -0.10 0.15 -1.57 0.00 0.00 179.24 177.93 1tij h PHE 29 N 0.21 0.57 -0.22 4.55 3.57 -0.16 -2.46 116.94 122.99 1tij h PHE 29 Ca 0.48 -0.13 -0.14 0.00 3.53 0.00 0.00 57.97 61.70 1tij h PHE 29 Cb 1.51 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1tij h PHE 29 CO -0.00 0.75 -0.44 0.00 -2.23 0.00 0.00 178.31 176.39 1tij h ALA 30 N 0.73 0.82 0.00 2.41 0.00 -0.66 -0.92 119.26 121.65 1tij h ALA 30 Ca 0.06 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1tij h ALA 30 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1tij h ALA 30 CO 0.03 0.65 -0.27 0.28 0.00 0.00 0.00 179.25 179.94 1tij h VAL 31 N 0.45 1.10 0.14 0.00 2.07 -1.27 0.40 116.25 119.13 1tij h VAL 31 Ca 0.03 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1tij h VAL 31 Cb 0.95 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1tij h VAL 31 CO 0.08 0.27 -0.07 1.23 0.02 0.00 0.00 177.57 179.10 1tij h GLY 32 N 0.93 -0.20 1.42 2.17 0.00 -0.88 0.23 103.07 106.75 1tij h GLY 32 Ca -0.00 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1tij h GLY 32 CO 0.04 -0.07 0.05 0.83 0.00 0.00 0.00 176.54 177.39 1tij h GLU 33 N -0.54 0.72 -0.58 4.80 4.39 -0.94 -1.74 114.58 120.68 1tij h GLU 33 Ca -0.02 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 1tij h GLU 33 Cb 0.42 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1tij h GLU 33 CO 0.03 0.69 0.35 -0.92 -1.16 0.00 0.00 179.01 178.01 1tij h TYR 34 N 0.68 0.76 -0.27 4.33 5.03 0.03 -1.29 116.97 126.23 1tij h TYR 34 Ca 0.15 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.33 1tij h TYR 34 Cb 0.34 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1tij h TYR 34 CO 0.02 0.51 -0.34 -0.91 -1.32 0.00 0.00 178.16 176.12 1tij h ASN 35 N 0.78 0.61 -0.89 -2.11 2.35 -0.75 -2.60 115.58 112.97 1tij h ASN 35 Ca 0.21 -0.25 0.13 0.00 -0.55 0.00 0.00 56.30 55.83 1tij h ASN 35 Cb -0.03 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.10 1tij h ASN 35 CO -0.04 0.90 0.57 0.11 -1.65 0.00 0.00 177.43 177.33 1tij h LYS 36 N 0.50 0.75 -0.54 0.81 1.57 -0.33 -2.84 116.57 116.49 1tij h LYS 36 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1tij h LYS 36 Cb 0.82 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1tij h LYS 36 CO 0.07 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.44 1tij n ALA 37 N -2.42 2.31 -2.20 3.86 0.00 -0.89 -5.02 120.51 116.14 1tij n ALA 37 Ca 0.17 -1.20 -0.38 0.00 0.00 0.00 0.00 53.44 52.03 1tij n ALA 37 Cb 0.41 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 1tij n ALA 37 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1tij s SER 38 N -1.04 7.08 -0.64 0.00 1.04 -1.00 -4.99 113.70 114.15 1tij s SER 38 Ca 0.37 1.33 -0.27 0.00 0.48 0.00 0.00 55.95 57.86 1tij s SER 38 Cb 0.20 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.95 1tij s SER 38 CO 0.26 0.18 1.46 0.21 0.98 0.00 0.00 173.24 176.33 1tij s ASN 39 N -1.33 5.96 0.00 7.02 2.47 -1.26 -4.80 114.94 122.99 1tij s ASN 39 Ca 0.35 0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.65 1tij s ASN 39 Cb -0.19 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 1tij s ASN 39 CO 0.21 -1.90 0.00 -0.67 -3.72 0.00 0.00 177.10 171.02 1tij n ASP 40 N 10.18 0.00 -0.21 -4.21 -0.08 -1.26 -4.97 116.55 116.00 1tij n ASP 40 Ca 0.11 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.52 1tij n ASP 40 Cb 0.50 0.00 0.44 0.00 2.34 0.00 0.00 41.12 44.40 1tij n ASP 40 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 1tij n MET 41 N -0.57 0.79 -4.10 -0.67 0.00 -1.26 -4.89 117.12 106.42 1tij n MET 41 Ca 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 57.70 56.92 1tij n MET 41 Cb 0.00 -1.49 -0.08 0.00 0.00 0.00 0.00 33.22 31.65 1tij n MET 41 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1tij s TYR 42 N -2.50 3.39 0.67 3.17 2.02 -1.26 -5.09 117.35 117.74 1tij s TYR 42 Ca 0.25 0.35 -0.16 0.00 -0.37 0.00 0.00 57.07 57.14 1tij s TYR 42 Cb 0.19 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1tij s TYR 42 CO 0.51 0.58 1.19 -1.58 -1.57 0.00 0.00 175.55 174.67 1tij s HIS 43 N -0.84 2.29 0.03 2.71 5.65 -1.26 -5.04 115.29 118.83 1tij s HIS 43 Ca 0.13 1.56 0.02 0.00 0.25 0.00 0.00 55.06 57.02 1tij s HIS 43 Cb -0.12 -3.41 -0.02 0.00 -1.18 0.00 0.00 32.58 27.85 1tij s HIS 43 CO 0.03 -2.27 -0.07 -1.12 -0.65 0.00 0.00 174.74 170.66 1tij s SER 44 N -2.00 0.77 0.12 9.88 0.01 -1.26 -5.16 113.70 116.07 1tij s SER 44 Ca 0.74 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 57.57 1tij s SER 44 Cb -0.28 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1tij s SER 44 CO 0.40 -0.16 -0.09 -0.13 0.41 0.00 0.00 173.24 173.66 1tij s ARG 45 N -1.32 0.95 0.06 12.44 0.52 -1.26 -4.90 118.95 125.44 1tij s ARG 45 Ca -0.08 -1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 53.47 1tij s ARG 45 Cb -0.09 -0.50 -0.11 0.00 0.52 0.00 0.00 34.95 34.78 1tij s ARG 45 CO 0.00 0.05 1.88 0.00 0.02 0.00 0.00 175.30 177.25 1tij n ALA 46 N 0.05 1.73 0.00 2.13 0.00 -1.26 -4.83 120.51 118.34 1tij n ALA 46 Ca -0.12 0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 1tij n ALA 46 Cb 0.60 -2.59 -0.14 0.00 0.00 0.00 0.00 19.45 17.31 1tij n ALA 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1tij h LEU 47 N 9.19 0.18 -7.00 0.00 7.12 -2.07 -3.48 115.31 119.25 1tij h LEU 47 Ca -0.48 -0.36 0.11 0.00 0.13 0.00 0.00 57.88 57.28 1tij h LEU 47 Cb 1.24 -0.06 -0.22 0.00 -0.53 0.00 0.00 40.66 41.09 1tij h LEU 47 CO 0.94 1.32 0.59 -1.58 -0.13 0.00 0.00 178.44 179.58 1tij s GLN 48 N -2.59 0.56 -0.40 1.25 0.74 -1.26 -5.11 119.66 112.85 1tij s GLN 48 Ca -0.10 0.04 -0.06 0.00 0.05 0.00 0.00 55.36 55.29 1tij s GLN 48 Cb 0.07 0.26 0.09 0.00 1.10 0.00 0.00 33.01 34.54 1tij s GLN 48 CO 0.81 -0.20 0.20 0.08 -0.55 0.00 0.00 175.29 175.64 1tij s VAL 49 N -1.53 3.72 0.16 1.34 1.01 -1.26 -4.97 120.40 118.87 1tij s VAL 49 Ca 0.01 -1.64 0.09 0.00 0.00 0.00 0.00 61.98 60.45 1tij s VAL 49 Cb -0.01 -3.35 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 1tij s VAL 49 CO -0.01 -0.52 1.44 -0.37 0.00 0.00 0.00 175.10 175.64 1tij h VAL 50 N 6.24 1.52 -3.67 2.92 -1.51 -2.05 -3.46 116.25 116.23 1tij h VAL 50 Ca -0.19 -2.76 -0.11 0.00 -1.23 0.00 0.00 66.70 62.41 1tij h VAL 50 Cb 1.07 2.51 -0.17 0.00 -2.13 0.00 0.00 31.29 32.56 1tij h VAL 50 CO 0.71 0.78 -0.44 -0.60 -1.23 0.00 0.00 177.57 176.78 1tij s ARG 51 N -3.11 0.67 -0.31 5.19 3.52 -1.26 -5.15 118.95 118.49 1tij s ARG 51 Ca 0.00 -0.71 0.05 0.00 -0.13 0.00 0.00 55.73 54.95 1tij s ARG 51 Cb 0.11 0.27 0.19 0.00 -1.56 0.00 0.00 34.95 33.96 1tij s ARG 51 CO 0.79 -0.19 0.55 0.00 -0.81 0.00 0.00 175.30 175.64 1tij s ALA 52 N -2.71 -2.04 0.17 6.12 0.00 -1.26 -5.10 121.76 116.95 1tij s ALA 52 Ca -0.04 0.63 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1tij s ALA 52 Cb -0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1tij s ALA 52 CO -0.05 -1.90 0.11 1.03 0.00 0.00 0.00 175.76 174.96 1tij s ARG 53 N 2.53 2.81 0.38 0.00 0.52 -1.26 0.57 118.95 124.50 1tij s ARG 53 Ca 0.11 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.43 1tij s ARG 53 Cb -0.10 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 1tij s ARG 53 CO -0.23 0.47 0.08 -1.59 0.02 0.00 0.00 175.30 174.06 1tij s LYS 54 N -3.11 1.84 0.11 3.54 -2.85 0.70 -4.83 119.74 115.13 1tij s LYS 54 Ca 0.30 -2.08 -0.25 0.00 -1.00 0.00 0.00 55.97 52.94 1tij s LYS 54 Cb -0.10 -0.82 0.07 0.00 -2.06 0.00 0.00 37.83 34.93 1tij s LYS 54 CO 0.23 -0.34 0.64 -1.14 0.10 0.00 0.00 175.35 174.84 1tij s GLN 55 N -3.81 1.20 -0.21 1.78 0.74 -1.26 -1.50 119.66 116.60 1tij s GLN 55 Ca 0.28 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.34 1tij s GLN 55 Cb 0.05 0.55 0.05 0.00 1.10 0.00 0.00 33.01 34.76 1tij s GLN 55 CO 0.14 -0.51 -0.09 0.42 -0.55 0.00 0.00 175.29 174.70 1tij s ILE 56 N -3.34 1.62 -0.04 -2.34 1.01 -1.26 -5.08 121.20 111.76 1tij s ILE 56 Ca -0.00 -1.08 -0.28 0.00 0.00 0.00 0.00 60.65 59.29 1tij s ILE 56 Cb -0.01 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1tij s ILE 56 CO -0.10 0.09 0.91 0.68 0.00 0.00 0.00 174.94 176.52 1tij s VAL 57 N 1.39 4.90 -0.03 2.92 -7.23 -1.26 -4.54 120.40 116.54 1tij s VAL 57 Ca -0.03 1.89 0.05 0.00 -1.81 0.00 0.00 61.98 62.08 1tij s VAL 57 Cb -0.17 -4.25 -0.03 0.00 0.56 0.00 0.00 36.38 32.50 1tij s VAL 57 CO -0.07 0.15 -0.16 0.00 -0.31 0.00 0.00 175.10 174.70 1tij s ALA 58 N 1.20 2.60 -0.14 1.32 0.00 -1.18 -5.00 121.76 120.58 1tij s ALA 58 Ca 0.47 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 1tij s ALA 58 Cb -0.20 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.08 1tij s ALA 58 CO 0.23 0.56 -0.08 0.20 0.00 0.00 0.00 175.76 176.67 1tij s GLY 59 N -0.89 0.91 -0.20 0.00 0.00 -1.26 -4.11 107.32 101.77 1tij s GLY 59 Ca 0.12 -0.69 -0.09 0.00 0.00 0.00 0.00 44.72 44.06 1tij s GLY 59 CO 0.02 0.82 0.11 0.14 0.00 0.00 0.00 173.10 174.18 1tij s VAL 60 N 1.65 5.19 -0.16 1.40 1.01 0.20 -4.91 120.40 124.79 1tij s VAL 60 Ca 0.03 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1tij s VAL 60 Cb -0.13 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1tij s VAL 60 CO -0.08 0.44 0.16 0.20 0.00 0.00 0.00 175.10 175.82 1tij s ASN 61 N 0.44 6.32 -0.05 3.32 0.01 -1.26 0.20 114.94 123.92 1tij s ASN 61 Ca 0.06 0.37 0.05 0.00 -0.71 0.00 0.00 52.86 52.63 1tij s ASN 61 Cb -0.12 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 1tij s ASN 61 CO -0.01 0.25 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.32 1tij s TYR 62 N -0.13 2.54 -0.28 2.20 2.02 0.87 -4.94 117.35 119.63 1tij s TYR 62 Ca 0.12 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 1tij s TYR 62 Cb -0.12 -1.61 0.07 0.00 -0.40 0.00 0.00 41.96 39.90 1tij s TYR 62 CO 0.01 -0.03 -0.06 -0.06 -1.57 0.00 0.00 175.55 173.84 1tij s PHE 63 N -0.41 3.28 -0.17 2.71 0.40 -1.26 -0.52 117.98 121.99 1tij s PHE 63 Ca 0.04 -2.44 -0.05 0.00 -0.60 0.00 0.00 56.93 53.88 1tij s PHE 63 Cb -0.12 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 1tij s PHE 63 CO 0.02 -0.89 0.01 -0.51 0.70 0.00 0.00 175.22 174.55 1tij s LEU 64 N 1.09 3.48 -0.31 -0.37 1.43 -0.08 -4.96 118.68 118.95 1tij s LEU 64 Ca -0.03 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1tij s LEU 64 Cb -0.20 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1tij s LEU 64 CO -0.06 0.15 0.12 -1.81 0.23 0.00 0.00 176.35 174.98 1tij s ASP 65 N 0.49 5.36 -0.03 2.29 1.01 -1.26 -1.35 116.67 123.18 1tij s ASP 65 Ca -0.00 -0.73 0.06 0.00 0.71 0.00 0.00 52.55 52.58 1tij s ASP 65 Cb -0.14 -1.94 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 1tij s ASP 65 CO 0.02 -0.23 -0.21 -0.69 0.21 0.00 0.00 175.17 174.27 1tij s VAL 66 N 1.53 1.69 -0.33 -1.27 1.01 0.72 -4.99 120.40 118.77 1tij s VAL 66 Ca 0.03 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1tij s VAL 66 Cb -0.18 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 1tij s VAL 66 CO 0.04 0.48 0.17 -0.70 0.00 0.00 0.00 175.10 175.09 1tij s GLU 67 N -0.36 3.25 0.02 2.72 2.12 -1.26 0.42 118.70 125.61 1tij s GLU 67 Ca 0.04 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 1tij s GLU 67 Cb -0.10 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1tij s GLU 67 CO 0.00 -0.47 0.18 -0.51 -0.54 0.00 0.00 175.26 173.92 1tij s LEU 68 N 1.61 4.30 0.23 2.70 1.43 0.29 -4.94 118.68 124.30 1tij s LEU 68 Ca 0.04 0.29 0.10 0.00 -1.03 0.00 0.00 54.13 53.54 1tij s LEU 68 Cb -0.17 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1tij s LEU 68 CO 0.07 0.23 -0.12 -0.83 0.23 0.00 0.00 176.35 175.93 1tij s GLY 69 N -2.10 1.75 -0.25 -3.19 0.00 -1.26 -1.75 107.32 100.51 1tij s GLY 69 Ca 0.29 -1.66 -0.17 0.00 0.00 0.00 0.00 44.72 43.18 1tij s GLY 69 CO 0.21 -1.72 0.49 -1.60 0.00 0.00 0.00 173.10 170.48 1tij s ARG 70 N -3.24 4.08 0.67 2.90 3.52 -0.90 -5.02 118.95 120.94 1tij s ARG 70 Ca 0.28 0.28 -0.02 0.00 -0.13 0.00 0.00 55.73 56.14 1tij s ARG 70 Cb -0.07 -3.64 0.09 0.00 -1.56 0.00 0.00 34.95 29.77 1tij s ARG 70 CO 0.16 -0.31 0.93 0.95 -0.81 0.00 0.00 175.30 176.22 1tij s THR 71 N 2.17 2.34 0.07 4.11 -4.23 -1.26 -1.84 115.64 117.00 1tij s THR 71 Ca 0.20 -0.55 0.13 0.00 -1.18 0.00 0.00 61.69 60.30 1tij s THR 71 Cb -0.16 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 1tij s THR 71 CO 0.09 0.00 1.49 0.74 -0.54 0.00 0.00 174.62 176.41 1tij h THR 72 N -0.37 1.20 -4.23 3.99 2.02 -1.28 -3.44 112.91 110.80 1tij h THR 72 Ca -0.40 -2.38 -0.52 0.00 0.77 0.00 0.00 66.41 63.89 1tij h THR 72 Cb 1.28 2.38 0.14 0.00 -1.74 0.00 0.00 68.15 70.21 1tij h THR 72 CO 0.47 0.62 0.34 0.00 0.37 0.00 0.00 175.52 177.33 1tij s THR 74 N -2.41 5.14 0.17 0.00 -4.23 -1.26 -5.02 115.64 108.02 1tij s THR 74 Ca 0.68 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 60.26 1tij s THR 74 Cb -0.22 -3.66 0.06 0.00 1.34 0.00 0.00 72.50 70.01 1tij s THR 74 CO 0.48 -0.13 1.66 0.50 -0.54 0.00 0.00 174.62 176.58 1tij h LYS 75 N 2.05 0.95 -2.88 3.99 3.64 -1.98 -2.83 116.57 119.51 1tij h LYS 75 Ca -0.49 -0.26 -0.71 0.00 -1.27 0.00 0.00 60.65 57.92 1tij h LYS 75 Cb 1.20 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 1tij h LYS 75 CO 0.66 0.91 3.00 0.25 -2.27 0.00 0.00 179.45 182.01 1tij n THR 76 N -4.32 4.75 -4.74 1.00 -2.24 -1.26 -4.87 114.28 102.60 1tij n THR 76 Ca 0.03 -3.58 -0.25 0.00 -2.27 0.00 0.00 64.05 57.98 1tij n THR 76 Cb 0.28 -2.33 -0.16 0.00 -2.10 0.00 0.00 70.33 66.02 1tij n THR 76 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1tij s GLN 77 N 0.44 1.57 -0.10 -0.78 0.74 -1.07 -5.06 119.66 115.40 1tij s GLN 77 Ca 0.59 -0.54 -0.23 0.00 0.05 0.00 0.00 55.36 55.22 1tij s GLN 77 Cb 0.18 -1.39 -0.20 0.00 1.10 0.00 0.00 33.01 32.70 1tij s GLN 77 CO -0.07 0.23 0.78 -1.35 -0.55 0.00 0.00 175.29 174.33 1tij h PRO 78 N 6.23 -0.05 -5.90 1.67 0.11 -1.90 -3.43 132.00 128.73 1tij h PRO 78 Ca -0.33 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.16 1tij h PRO 78 Cb 1.17 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 1tij h PRO 78 CO 0.48 0.63 0.43 -0.80 -0.21 0.00 0.00 178.00 178.53 1tij s ASN 79 N -5.89 6.45 -0.16 -2.05 0.02 -1.26 -4.90 114.94 107.15 1tij s ASN 79 Ca -0.15 0.01 0.17 0.00 -1.02 0.00 0.00 52.86 51.87 1tij s ASN 79 Cb -0.01 -2.41 0.37 0.00 0.02 0.00 0.00 41.25 39.22 1tij s ASN 79 CO 0.56 -0.94 1.24 0.18 0.02 0.00 0.00 177.10 178.16 1tij n LEU 80 N 6.84 2.85 0.11 0.60 4.77 -1.26 -4.70 117.00 126.20 1tij n LEU 80 Ca 0.04 -3.16 -0.04 0.00 -0.03 0.00 0.00 56.01 52.81 1tij n LEU 80 Cb 0.48 -0.48 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1tij n LEU 80 CO 0.60 0.78 0.40 0.44 -1.33 0.00 0.00 177.39 178.28 1tij h ASP 81 N 0.58 0.10 -3.71 -1.43 3.45 -2.00 -3.40 116.42 110.01 1tij h ASP 81 Ca 0.01 -0.07 -0.67 0.00 0.43 0.00 0.00 57.03 56.73 1tij h ASP 81 Cb 1.14 -0.03 -0.38 0.00 -0.56 0.00 0.00 39.33 39.50 1tij h ASP 81 CO 0.07 0.78 -0.65 0.21 -1.57 0.00 0.00 179.24 178.08 1tij s ASN 82 N -6.85 4.88 -0.48 6.45 3.84 -1.26 -5.04 114.94 116.48 1tij s ASN 82 Ca -0.02 -2.22 0.03 0.00 0.21 0.00 0.00 52.86 50.86 1tij s ASN 82 Cb 0.12 -1.69 0.14 0.00 -0.55 0.00 0.00 41.25 39.26 1tij s ASN 82 CO 0.79 -0.41 0.28 0.00 -2.79 0.00 0.00 177.10 174.97 1tij s PRO 84 N 0.04 1.82 0.10 0.00 0.02 -1.26 -4.67 135.00 131.06 1tij s PRO 84 Ca 0.20 1.52 -0.21 0.00 0.02 0.00 0.00 61.00 62.53 1tij s PRO 84 Cb -0.19 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.44 1tij s PRO 84 CO -0.04 -2.02 0.63 -0.06 -0.33 0.00 0.00 177.00 175.18 1tij s PHE 85 N -2.46 3.83 -0.08 6.54 0.08 -1.26 -0.88 117.98 123.76 1tij s PHE 85 Ca 0.68 1.38 -0.39 0.00 0.12 0.00 0.00 56.93 58.72 1tij s PHE 85 Cb -0.23 -2.57 -0.17 0.00 -0.57 0.00 0.00 43.02 39.47 1tij s PHE 85 CO 0.52 0.56 1.46 0.72 -0.10 0.00 0.00 175.22 178.38 1tij n HIS 86 N 1.66 1.61 0.53 0.36 8.25 -0.77 -4.83 115.22 122.03 1tij n HIS 86 Ca -0.09 0.68 0.11 0.00 -0.26 0.00 0.00 57.72 58.16 1tij n HIS 86 Cb 0.50 -2.34 -0.13 0.00 1.12 0.00 0.00 29.99 29.14 1tij n HIS 86 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1tij n ASP 87 N 3.42 0.54 -4.48 0.41 5.68 -1.26 -4.73 116.55 116.13 1tij n ASP 87 Ca 0.22 -0.51 -0.43 0.00 -0.50 0.00 0.00 54.79 53.56 1tij n ASP 87 Cb 0.14 1.42 -0.07 0.00 -1.14 0.00 0.00 41.12 41.47 1tij n ASP 87 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1tij s GLN 88 N -3.24 3.19 0.10 0.11 -0.21 -1.26 -5.01 119.66 113.34 1tij s GLN 88 Ca 0.01 -0.63 -0.10 0.00 0.02 0.00 0.00 55.36 54.65 1tij s GLN 88 Cb 0.15 -4.01 0.08 0.00 1.00 0.00 0.00 33.01 30.23 1tij s GLN 88 CO 0.88 -1.08 0.75 -2.30 -2.12 0.00 0.00 175.29 171.43 1tij n PRO 89 N 6.15 -0.14 0.03 2.91 -0.02 -1.26 -0.08 135.00 142.59 1tij n PRO 89 Ca -0.04 0.74 0.08 0.00 -2.02 0.00 0.00 63.50 62.26 1tij n PRO 89 Cb 0.47 -1.10 0.36 0.00 -0.02 0.00 0.00 33.50 33.21 1tij n PRO 89 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1tij n HIS 90 N -4.69 0.19 -0.06 6.00 1.44 -1.26 -2.83 115.22 114.02 1tij n HIS 90 Ca 0.04 0.07 -0.02 0.00 -2.01 0.00 0.00 57.72 55.80 1tij n HIS 90 Cb 0.18 -0.62 -0.14 0.00 0.12 0.00 0.00 29.99 29.53 1tij n HIS 90 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1tij n LEU 91 N -1.67 0.00 -4.62 2.39 7.94 0.89 -4.97 117.00 116.96 1tij n LEU 91 Ca 0.03 0.00 -0.47 0.00 -1.11 0.00 0.00 56.01 54.46 1tij n LEU 91 Cb 0.19 0.27 -0.03 0.00 0.53 0.00 0.00 43.42 44.38 1tij n LEU 91 CO 0.16 0.27 0.83 0.29 -1.11 0.00 0.00 177.39 177.82 1tij n LYS 92 N -2.45 1.53 -3.72 1.96 5.02 -0.74 -4.98 118.16 114.77 1tij n LYS 92 Ca -0.19 0.54 -0.13 0.00 -2.02 0.00 0.00 58.31 56.52 1tij n LYS 92 Cb 0.85 -2.10 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 1tij n LYS 92 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1tij s ARG 93 N -0.45 0.18 0.47 1.97 3.00 -1.26 -5.01 118.95 117.85 1tij s ARG 93 Ca 0.70 0.53 0.05 0.00 -1.00 0.00 0.00 55.73 56.01 1tij s ARG 93 Cb -0.76 -0.13 -0.02 0.00 0.00 0.00 0.00 34.95 34.04 1tij s ARG 93 CO 0.52 -0.18 0.14 0.21 0.00 0.00 0.00 175.30 175.99 1tij s LYS 94 N 1.37 2.18 -0.29 5.12 2.20 -1.26 -2.12 119.74 126.94 1tij s LYS 94 Ca -0.08 -2.11 -0.21 0.00 -0.36 0.00 0.00 55.97 53.20 1tij s LYS 94 Cb -0.11 -1.80 0.15 0.00 -1.51 0.00 0.00 37.83 34.56 1tij s LYS 94 CO -0.08 -0.30 1.11 0.00 -0.36 0.00 0.00 175.35 175.72 1tij s ALA 95 N -2.75 -2.18 -0.18 3.13 0.00 -0.71 -3.57 121.76 115.50 1tij s ALA 95 Ca 0.27 1.95 -0.05 0.00 0.00 0.00 0.00 51.96 54.12 1tij s ALA 95 Cb 0.03 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 1tij s ALA 95 CO 0.15 -0.25 0.00 -0.06 0.00 0.00 0.00 175.76 175.60 1tij s PHE 96 N 0.60 3.09 0.20 0.00 0.40 -0.62 0.10 117.98 121.76 1tij s PHE 96 Ca -0.01 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1tij s PHE 96 Cb -0.04 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 1tij s PHE 96 CO -0.11 -0.06 0.08 0.00 0.70 0.00 0.00 175.22 175.83 1tij s SER 98 N -3.20 1.60 0.12 0.00 0.01 -0.03 -0.20 113.70 112.00 1tij s SER 98 Ca 0.33 -0.18 0.10 0.00 1.31 0.00 0.00 55.95 57.50 1tij s SER 98 Cb 0.07 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 1tij s SER 98 CO 0.09 -0.11 -0.21 -0.36 0.41 0.00 0.00 173.24 173.07 1tij s PHE 99 N 1.44 2.47 -0.15 2.43 0.08 -0.45 -1.80 117.98 121.99 1tij s PHE 99 Ca -0.02 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.73 1tij s PHE 99 Cb -0.13 -1.32 0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1tij s PHE 99 CO -0.03 0.37 -0.09 -1.14 -0.10 0.00 0.00 175.22 174.23 1tij s GLN 100 N -2.10 1.74 -0.09 0.44 0.74 -0.59 -0.90 119.66 118.90 1tij s GLN 100 Ca 0.17 -0.50 0.04 0.00 0.05 0.00 0.00 55.36 55.11 1tij s GLN 100 Cb -0.10 -1.97 -0.01 0.00 1.10 0.00 0.00 33.01 32.02 1tij s GLN 100 CO 0.09 -0.34 -0.20 0.42 -0.55 0.00 0.00 175.29 174.70 1tij s ILE 101 N 1.59 2.43 -0.21 -2.34 1.09 0.32 -1.26 121.20 122.81 1tij s ILE 101 Ca 0.03 -0.91 -0.10 0.00 -1.10 0.00 0.00 60.65 58.57 1tij s ILE 101 Cb -0.14 -1.95 -0.05 0.00 -1.06 0.00 0.00 42.46 39.26 1tij s ILE 101 CO -0.09 0.56 0.13 -0.47 -0.10 0.00 0.00 174.94 174.97 1tij s TYR 102 N 0.06 3.36 -0.06 3.97 5.04 -0.49 -0.09 117.35 129.14 1tij s TYR 102 Ca -0.08 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1tij s TYR 102 Cb -0.15 -2.18 0.02 0.00 0.35 0.00 0.00 41.96 40.00 1tij s TYR 102 CO 0.05 0.20 -0.03 0.00 -1.34 0.00 0.00 175.55 174.43 1tij s ALA 103 N 0.57 0.72 -0.84 3.97 0.00 0.13 -2.05 121.76 124.27 1tij s ALA 103 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 1tij s ALA 103 Cb -0.12 -0.54 0.21 0.00 0.00 0.00 0.00 23.12 22.66 1tij s ALA 103 CO 0.00 -0.17 0.71 0.14 0.00 0.00 0.00 175.76 176.44 1tij s VAL 104 N 1.27 4.30 0.32 0.00 -7.23 -0.98 0.63 120.40 118.70 1tij s VAL 104 Ca -0.06 -3.60 0.06 0.00 -1.81 0.00 0.00 61.98 56.57 1tij s VAL 104 Cb -0.14 -3.69 0.38 0.00 0.56 0.00 0.00 36.38 33.49 1tij s VAL 104 CO -0.02 -1.04 1.59 -0.65 -0.31 0.00 0.00 175.10 174.67 1tij h PRO 105 N 6.32 0.05 0.09 4.82 0.11 -1.82 -0.96 132.00 140.61 1tij h PRO 105 Ca 0.12 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1tij h PRO 105 Cb 0.85 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1tij h PRO 105 CO 0.82 0.04 -0.11 0.11 -0.21 0.00 0.00 178.00 178.65 1tij h TRP 106 N 0.05 -0.31 0.00 0.65 5.08 -1.83 -0.47 115.95 119.13 1tij h TRP 106 Ca 0.64 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.61 1tij h TRP 106 Cb 1.40 0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.68 1tij h TRP 106 CO -0.35 -0.14 0.05 1.04 -1.28 0.00 0.00 178.44 177.77 1tij n GLN 107 N -2.99 0.01 -3.39 0.12 6.02 -0.85 -4.85 117.38 111.46 1tij n GLN 107 Ca -0.02 0.46 -0.17 0.00 -0.01 0.00 0.00 57.00 57.26 1tij n GLN 107 Cb 0.10 -1.59 0.09 0.00 1.02 0.00 0.00 30.24 29.86 1tij n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tij n GLY 108 N -1.44 -0.43 3.07 1.08 0.00 -0.18 -5.04 105.19 102.26 1tij n GLY 108 Ca -0.00 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1tij n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tij s THR 109 N -3.36 0.16 0.01 2.61 -4.23 -1.21 -5.02 115.64 104.60 1tij s THR 109 Ca 0.04 -1.31 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1tij s THR 109 Cb -0.01 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.88 1tij s THR 109 CO 0.72 -0.72 0.03 -0.04 -0.54 0.00 0.00 174.62 174.07 1tij s MET 110 N -2.78 0.31 0.02 3.99 -1.94 -1.26 -2.32 119.30 115.33 1tij s MET 110 Ca -0.04 -0.42 -0.07 0.00 -1.71 0.00 0.00 55.69 53.45 1tij s MET 110 Cb -0.00 0.12 -0.00 0.00 2.01 0.00 0.00 34.83 36.95 1tij s MET 110 CO -0.06 -0.06 0.13 0.95 -0.01 0.00 0.00 175.02 175.98 1tij s THR 111 N -1.16 0.10 -1.04 2.05 -4.23 -0.87 -4.97 115.64 105.52 1tij s THR 111 Ca -0.13 -0.82 -0.20 0.00 -1.18 0.00 0.00 61.69 59.36 1tij s THR 111 Cb -0.08 -0.61 0.09 0.00 1.34 0.00 0.00 72.50 73.25 1tij s THR 111 CO -0.00 -0.45 1.37 -0.22 -0.54 0.00 0.00 174.62 174.78 1tij s LEU 112 N -1.66 4.25 0.48 4.79 2.96 -1.26 -1.39 118.68 126.84 1tij s LEU 112 Ca -0.11 -1.94 0.33 0.00 -0.22 0.00 0.00 54.13 52.18 1tij s LEU 112 Cb -0.05 -2.49 1.45 0.00 0.50 0.00 0.00 46.19 45.59 1tij s LEU 112 CO -0.01 -1.23 1.71 0.28 -1.32 0.00 0.00 176.35 175.78 1tij h SER 113 N 8.91 0.17 0.00 3.68 0.02 -1.53 -3.44 113.55 121.35 1tij h SER 113 Ca 0.23 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1tij h SER 113 Cb 0.98 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1tij h SER 113 CO 1.30 -0.03 0.00 2.29 -1.14 0.00 0.00 176.83 179.25 1tij n LYS 114 N -4.38 0.00 -3.59 3.45 2.85 -1.18 -4.99 118.16 110.32 1tij n LYS 114 Ca 0.32 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.46 1tij n LYS 114 Cb 1.33 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.67 1tij n LYS 114 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1tij s SER 115 N 0.00 -0.35 -0.15 -5.58 1.04 -1.26 -1.54 113.70 105.86 1tij s SER 115 Ca 0.00 -0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 1tij s SER 115 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1tij s SER 115 CO 0.00 -0.80 0.37 -0.89 0.98 0.00 0.00 173.24 172.90 1tij s THR 116 N -3.17 -0.02 -0.01 2.02 2.01 -0.74 -4.99 115.64 110.75 1tij s THR 116 Ca -0.01 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 1tij s THR 116 Cb 0.00 -0.54 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 1tij s THR 116 CO -0.07 0.02 0.04 0.00 -0.69 0.00 0.00 174.62 173.92 1tij s GLN 118 N -0.61 1.68 -0.00 0.00 -2.07 0.11 -4.96 119.66 113.80 1tij s GLN 118 Ca -0.07 -0.34 -0.30 0.00 -1.82 0.00 0.00 55.36 52.83 1tij s GLN 118 Cb -0.04 -1.74 -0.08 0.00 -1.09 0.00 0.00 33.01 30.06 1tij s GLN 118 CO -0.00 -0.28 1.97 -0.51 -1.32 0.00 0.00 175.29 175.15 1tij s ASP 119 N 1.66 6.34 0.00 12.60 -0.00 -1.26 -1.59 116.67 134.42 1tij s ASP 119 Ca 0.05 2.53 0.00 0.00 -0.00 0.00 0.00 52.55 55.13 1tij s ASP 119 Cb -0.13 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.26 1tij s ASP 119 CO -0.09 -1.16 0.00 0.00 -0.00 0.00 0.00 175.17 173.93