#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aas s GLU 2 N 0.00 3.85 1.03 1.97 2.12 -1.26 -4.92 118.70 121.48 2aas s GLU 2 Ca 0.00 -2.14 -0.17 0.00 0.36 0.00 0.00 54.97 53.03 2aas s GLU 2 Cb 0.00 -5.03 0.22 0.00 0.26 0.00 0.00 34.13 29.58 2aas s GLU 2 CO 0.00 -1.81 1.24 0.95 -0.54 0.00 0.00 175.26 175.11 2aas s THR 3 N 2.31 1.88 0.23 -1.70 -4.23 -1.26 -4.87 115.64 107.99 2aas s THR 3 Ca 0.39 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 2aas s THR 3 Cb -0.03 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.16 2aas s THR 3 CO -0.04 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.85 2aas h ALA 4 N -1.89 1.05 -1.00 3.99 0.00 -1.94 -1.58 119.26 117.89 2aas h ALA 4 Ca -0.45 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2aas h ALA 4 Cb 1.26 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2aas h ALA 4 CO 0.39 0.10 0.66 0.00 0.00 0.00 0.00 179.25 180.40 2aas h ALA 5 N 1.40 1.33 -0.48 0.00 0.00 -1.77 -1.58 119.26 118.17 2aas h ALA 5 Ca 0.35 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2aas h ALA 5 Cb 0.26 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2aas h ALA 5 CO -0.21 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.61 2aas h ALA 6 N 1.41 1.08 -0.64 0.00 0.00 -1.70 -2.03 119.26 117.38 2aas h ALA 6 Ca 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2aas h ALA 6 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2aas h ALA 6 CO -0.11 0.58 0.32 0.87 0.00 0.00 0.00 179.25 180.90 2aas h LYS 7 N 0.75 0.92 -0.02 0.00 1.57 -0.37 0.10 116.57 119.52 2aas h LYS 7 Ca 0.14 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2aas h LYS 7 Cb 0.47 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 2aas h LYS 7 CO 0.02 0.73 -0.24 0.35 -0.57 0.00 0.00 179.45 179.74 2aas h PHE 8 N 0.88 -0.63 -0.41 -1.35 3.57 -1.19 -0.68 116.94 117.12 2aas h PHE 8 Ca 0.22 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.81 2aas h PHE 8 Cb 0.11 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 2aas h PHE 8 CO 0.00 -0.33 0.04 0.93 -2.23 0.00 0.00 178.31 176.72 2aas h GLU 9 N -0.36 0.15 0.09 1.11 5.08 -0.75 0.17 114.58 120.06 2aas h GLU 9 Ca 0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2aas h GLU 9 Cb 0.45 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2aas h GLU 9 CO -0.22 0.10 -0.06 -0.09 -1.00 0.00 0.00 179.01 177.74 2aas h ARG 10 N 0.15 -0.13 -0.15 2.33 1.12 -0.60 -1.37 114.38 115.73 2aas h ARG 10 Ca 0.20 0.01 -0.20 0.00 -1.11 0.00 0.00 59.98 58.88 2aas h ARG 10 Cb 0.27 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 2aas h ARG 10 CO -0.30 -0.09 -0.71 1.96 -3.11 0.00 0.00 179.97 177.72 2aas h GLN 11 N -0.14 0.65 0.00 0.20 4.20 -0.84 -3.43 115.11 115.75 2aas h GLN 11 Ca -0.01 -0.50 -0.12 0.00 0.06 0.00 0.00 58.65 58.09 2aas h GLN 11 Cb 0.12 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2aas h GLN 11 CO 0.00 1.12 -1.41 0.72 -0.67 0.00 0.00 178.83 178.59 2aas n HIS 12 N -3.91 0.00 -2.57 2.96 8.25 0.57 -4.43 115.22 116.08 2aas n HIS 12 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 2aas n HIS 12 Cb 0.70 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 2aas n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2aas s MET 13 N -2.14 4.42 -0.32 -0.41 -1.94 -0.52 0.45 119.30 118.84 2aas s MET 13 Ca -0.10 1.56 0.15 0.00 -1.71 0.00 0.00 55.69 55.58 2aas s MET 13 Cb 0.03 -3.51 0.47 0.00 2.01 0.00 0.00 34.83 33.83 2aas s MET 13 CO 0.15 -0.32 1.08 -0.25 -0.01 0.00 0.00 175.02 175.67 2aas n ASP 14 N 4.77 2.87 -0.17 3.03 9.92 -0.12 -4.92 116.55 131.93 2aas n ASP 14 Ca 0.09 -2.93 0.13 0.00 -0.53 0.00 0.00 54.79 51.56 2aas n ASP 14 Cb 0.48 -0.46 0.47 0.00 -0.64 0.00 0.00 41.12 40.97 2aas n ASP 14 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2aas h SER 15 N 2.63 0.45 0.44 -2.24 0.02 -1.75 -0.53 113.55 112.58 2aas h SER 15 Ca 0.07 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2aas h SER 15 Cb 1.23 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2aas h SER 15 CO 0.53 0.25 -0.33 0.77 -1.14 0.00 0.00 176.83 176.90 2aas h SER 16 N 0.49 0.00 -3.43 3.07 4.64 -1.92 -3.44 113.55 112.95 2aas h SER 16 Ca 0.36 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 61.02 2aas h SER 16 Cb 0.72 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.61 2aas h SER 16 CO -0.12 0.33 -0.68 0.42 -0.87 0.00 0.00 176.83 175.91 2aas s THR 17 N -4.10 3.83 -0.15 2.95 -4.23 -0.21 -5.03 115.64 108.70 2aas s THR 17 Ca -0.02 -0.40 0.16 0.00 -1.18 0.00 0.00 61.69 60.24 2aas s THR 17 Cb 0.14 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.43 2aas s THR 17 CO 0.70 0.55 1.47 -1.28 -0.54 0.00 0.00 174.62 175.51 2aas h SER 18 N 6.01 0.00 -4.64 3.99 0.87 -1.85 -3.43 113.55 114.49 2aas h SER 18 Ca -0.39 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.19 2aas h SER 18 Cb 1.19 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.96 2aas h SER 18 CO 0.58 0.48 0.37 0.00 -0.53 0.00 0.00 176.83 177.72 2aas s ALA 19 N -3.00 -1.81 -0.46 6.23 0.00 -1.26 -4.83 121.76 116.63 2aas s ALA 19 Ca 0.04 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 52.96 2aas s ALA 19 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2aas s ALA 19 CO 0.74 -0.47 2.08 0.00 0.00 0.00 0.00 175.76 178.10 2aas s ALA 20 N -1.92 2.21 0.34 0.00 0.00 -1.26 -4.89 121.76 116.24 2aas s ALA 20 Ca -0.03 -0.05 0.38 0.00 0.00 0.00 0.00 51.96 52.27 2aas s ALA 20 Cb -0.00 -4.23 1.84 0.00 0.00 0.00 0.00 23.12 20.73 2aas s ALA 20 CO 0.00 -3.67 2.15 0.66 0.00 0.00 0.00 175.76 174.90 2aas h SER 21 N 16.06 0.00 -5.20 0.00 4.64 -1.99 -3.45 113.55 123.62 2aas h SER 21 Ca -0.29 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2aas h SER 21 Cb 1.21 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.18 2aas h SER 21 CO 1.12 0.00 -0.19 -0.94 -0.87 0.00 0.00 176.83 175.96 2aas s SER 22 N -5.39 -0.07 0.67 4.97 1.04 -1.26 -5.04 113.70 108.62 2aas s SER 22 Ca -0.02 -0.74 0.31 0.00 0.48 0.00 0.00 55.95 55.98 2aas s SER 22 Cb 0.11 0.49 1.67 0.00 0.10 0.00 0.00 66.02 68.39 2aas s SER 22 CO 0.47 -0.96 1.94 0.77 0.98 0.00 0.00 173.24 176.44 2aas h SER 23 N 2.41 0.00 0.00 7.02 4.64 -1.88 -2.36 113.55 123.38 2aas h SER 23 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2aas h SER 23 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2aas h SER 23 CO 0.44 0.00 -0.02 0.59 -0.87 0.00 0.00 176.83 176.97 2aas n ASN 24 N -2.90 1.97 -0.23 4.97 4.13 -1.26 -2.26 115.26 119.68 2aas n ASN 24 Ca -0.02 -2.42 -0.01 0.00 1.68 0.00 0.00 54.58 53.82 2aas n ASN 24 Cb 0.37 -0.19 0.06 0.00 -1.54 0.00 0.00 39.78 38.48 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2aas h TYR 25 N 0.00 -0.48 -0.51 3.10 3.20 -1.77 -1.11 116.97 119.40 2aas h TYR 25 Ca 0.00 0.06 0.12 0.00 3.14 0.00 0.00 58.73 62.05 2aas h TYR 25 Cb 0.77 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 2aas h TYR 25 CO 0.00 -0.32 0.35 0.00 -1.64 0.00 0.00 178.16 176.56 2aas h ASN 27 N 0.17 -1.04 0.17 0.00 4.21 -1.47 0.22 115.58 117.84 2aas h ASN 27 Ca 0.24 0.19 -0.24 0.00 1.21 0.00 0.00 56.30 57.70 2aas h ASN 27 Cb 0.73 0.50 0.02 0.00 -1.12 0.00 0.00 38.32 38.45 2aas h ASN 27 CO -0.04 -0.31 -1.07 -0.61 -1.29 0.00 0.00 177.43 174.11 2aas h GLN 28 N -0.23 0.35 -0.65 0.81 4.15 -1.70 -3.32 115.11 114.53 2aas h GLN 28 Ca 0.18 -0.61 0.05 0.00 0.77 0.00 0.00 58.65 59.05 2aas h GLN 28 Cb 0.53 0.23 -0.05 0.00 0.21 0.00 0.00 27.48 28.39 2aas h GLN 28 CO -0.55 1.29 0.36 0.52 -1.93 0.00 0.00 178.83 178.52 2aas h MET 29 N -0.23 0.65 -0.88 1.69 2.86 -1.32 -1.61 114.93 116.10 2aas h MET 29 Ca -0.20 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.44 2aas h MET 29 Cb 1.80 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 33.26 2aas h MET 29 CO 0.17 0.43 0.58 0.52 1.06 0.00 0.00 176.91 179.67 2aas h MET 30 N 0.67 1.07 0.21 1.72 2.86 -0.70 -2.89 114.93 117.86 2aas h MET 30 Ca 0.29 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2aas h MET 30 Cb 0.16 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2aas h MET 30 CO -0.17 0.71 -0.10 0.87 1.06 0.00 0.00 176.91 179.28 2aas h LYS 31 N 1.10 -0.27 -0.08 1.72 1.57 -1.46 -2.97 116.57 116.18 2aas h LYS 31 Ca 0.35 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.17 2aas h LYS 31 Cb 0.01 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2aas h LYS 31 CO -0.10 0.09 0.07 0.66 -0.57 0.00 0.00 179.45 179.59 2aas h SER 32 N -0.68 0.00 -0.33 0.86 4.64 -1.28 -1.49 113.55 115.28 2aas h SER 32 Ca -0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2aas h SER 32 Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 2aas h SER 32 CO 0.05 0.00 0.07 0.54 -0.87 0.00 0.00 176.83 176.62 2aas n ARG 33 N -4.18 2.59 -0.41 4.77 5.12 -1.10 -4.90 116.66 118.55 2aas n ARG 33 Ca -0.01 -1.50 0.00 0.00 -1.93 0.00 0.00 57.85 54.41 2aas n ARG 33 Cb 0.17 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 2aas n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2aas n ASN 34 N 0.16 0.00 0.14 0.55 3.02 -0.56 -4.74 115.26 113.83 2aas n ASN 34 Ca 0.17 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.89 2aas n ASN 34 Cb 0.79 -1.99 0.75 0.00 -0.61 0.00 0.00 39.78 38.73 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2aas h LEU 35 N 0.00 0.00 -3.20 3.41 3.38 -1.70 -2.34 115.31 114.86 2aas h LEU 35 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2aas h LEU 35 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2aas h LEU 35 CO 0.00 0.00 -0.06 0.35 0.09 0.00 0.00 178.44 178.82 2aas n THR 36 N -4.10 2.25 0.30 0.22 -2.24 -1.25 -4.37 114.28 105.09 2aas n THR 36 Ca 0.04 -2.31 0.19 0.00 -2.27 0.00 0.00 64.05 59.69 2aas n THR 36 Cb 0.40 -0.27 0.83 0.00 -2.10 0.00 0.00 70.33 69.19 2aas n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2aas h LYS 37 N 1.08 0.00 0.00 -0.78 2.10 -1.75 -3.32 116.57 113.89 2aas h LYS 37 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2aas h LYS 37 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2aas h LYS 37 CO 0.19 0.00 -0.50 -0.25 -2.00 0.00 0.00 179.45 176.89 2aas n ASP 38 N -3.03 0.53 -4.19 7.07 9.92 -1.26 -5.08 116.55 120.50 2aas n ASP 38 Ca -0.00 0.07 -0.14 0.00 -0.53 0.00 0.00 54.79 54.19 2aas n ASP 38 Cb 0.23 -0.16 -0.11 0.00 -0.64 0.00 0.00 41.12 40.45 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aas s ARG 39 N -2.00 0.89 -0.52 -1.24 1.70 -1.25 -4.95 118.95 111.58 2aas s ARG 39 Ca 0.00 -1.24 -0.28 0.00 -0.47 0.00 0.00 55.73 53.75 2aas s ARG 39 Cb 0.00 -0.53 0.00 0.00 -0.57 0.00 0.00 34.95 33.85 2aas s ARG 39 CO 0.00 0.07 1.52 0.00 -1.08 0.00 0.00 175.30 175.81 2aas n LYS 41 N 8.62 2.41 0.07 0.00 4.81 -1.26 -4.93 118.16 127.87 2aas n LYS 41 Ca 0.15 0.87 -0.12 0.00 -0.87 0.00 0.00 58.31 58.34 2aas n LYS 41 Cb 0.49 -2.68 -0.05 0.00 0.02 0.00 0.00 35.03 32.81 2aas n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2aas h PRO 42 N 6.53 -0.46 -3.68 1.64 0.11 -1.94 -3.42 132.00 130.78 2aas h PRO 42 Ca -0.45 0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.45 2aas h PRO 42 Cb 1.23 0.11 -0.30 0.00 0.11 0.00 0.00 31.00 32.15 2aas h PRO 42 CO 0.92 -0.31 -0.72 0.08 -0.21 0.00 0.00 178.00 177.76 2aas s VAL 43 N -6.00 -0.01 0.11 3.15 1.01 -1.26 -0.68 120.40 116.72 2aas s VAL 43 Ca -0.16 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 2aas s VAL 43 Cb 0.09 -0.03 0.04 0.00 0.00 0.00 0.00 36.38 36.47 2aas s VAL 43 CO 0.65 0.02 0.43 0.21 0.00 0.00 0.00 175.10 176.41 2aas s ASN 44 N 0.28 -0.28 -0.06 3.32 2.47 -0.06 -5.03 114.94 115.58 2aas s ASN 44 Ca -0.02 -0.22 0.04 0.00 0.42 0.00 0.00 52.86 53.08 2aas s ASN 44 Cb -0.03 0.48 -0.00 0.00 -1.45 0.00 0.00 41.25 40.24 2aas s ASN 44 CO -0.01 -0.83 -0.20 -0.89 -3.72 0.00 0.00 177.10 171.45 2aas s THR 45 N -3.57 1.68 0.17 -5.21 2.01 -1.26 0.19 115.64 109.66 2aas s THR 45 Ca 0.01 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 2aas s THR 45 Cb 0.01 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 2aas s THR 45 CO -0.10 0.48 0.37 -0.36 -0.69 0.00 0.00 174.62 174.32 2aas s PHE 46 N 0.16 3.48 -0.20 4.92 0.08 0.14 -4.14 117.98 122.42 2aas s PHE 46 Ca -0.09 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.36 2aas s PHE 46 Cb -0.14 -1.89 0.05 0.00 -0.57 0.00 0.00 43.02 40.46 2aas s PHE 46 CO 0.04 0.41 -0.06 0.08 -0.10 0.00 0.00 175.22 175.60 2aas s VAL 47 N -1.78 1.36 -1.28 -0.44 1.01 0.17 0.26 120.40 119.70 2aas s VAL 47 Ca 0.39 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2aas s VAL 47 Cb -0.11 -1.57 0.15 0.00 0.00 0.00 0.00 36.38 34.85 2aas s VAL 47 CO 0.28 0.02 2.25 1.41 0.00 0.00 0.00 175.10 179.06 2aas n HIS 48 N 4.76 2.64 -4.18 5.22 8.25 0.01 -0.95 115.22 130.97 2aas n HIS 48 Ca -0.12 -2.78 -0.11 0.00 -0.26 0.00 0.00 57.72 54.44 2aas n HIS 48 Cb 0.46 -1.76 -0.10 0.00 1.12 0.00 0.00 29.99 29.71 2aas n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2aas s GLU 49 N -1.41 1.01 0.57 -0.41 0.41 -1.26 -4.61 118.70 113.00 2aas s GLU 49 Ca 0.50 -1.49 -0.16 0.00 -0.41 0.00 0.00 54.97 53.41 2aas s GLU 49 Cb 0.17 0.11 -0.05 0.00 -1.78 0.00 0.00 34.13 32.59 2aas s GLU 49 CO -0.09 -0.25 1.03 -1.54 -0.49 0.00 0.00 175.26 173.93 2aas s SER 50 N -3.10 6.06 0.24 -0.19 1.04 -1.26 -3.52 113.70 112.97 2aas s SER 50 Ca 0.26 1.74 -0.04 0.00 0.48 0.00 0.00 55.95 58.38 2aas s SER 50 Cb 0.07 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 64.10 2aas s SER 50 CO 0.04 -0.98 1.75 0.25 0.98 0.00 0.00 173.24 175.28 2aas h LEU 51 N 0.59 0.38 -0.64 2.42 5.85 -1.99 -1.82 115.31 120.10 2aas h LEU 51 Ca -0.47 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.47 2aas h LEU 51 Cb 1.21 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.19 2aas h LEU 51 CO 0.59 0.17 0.13 0.00 -0.34 0.00 0.00 178.44 178.99 2aas h ALA 52 N 1.51 0.76 -0.32 1.25 0.00 -1.99 0.79 119.26 121.27 2aas h ALA 52 Ca 0.40 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 2aas h ALA 52 Cb 0.55 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2aas h ALA 52 CO -0.36 -0.31 0.01 -0.44 0.00 0.00 0.00 179.25 178.15 2aas h ASP 53 N 0.26 0.44 0.56 0.00 3.32 -1.73 -2.15 116.42 117.12 2aas h ASP 53 Ca 0.34 -0.07 -0.28 0.00 0.02 0.00 0.00 57.03 57.03 2aas h ASP 53 Cb 0.53 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2aas h ASP 53 CO -0.44 0.50 -1.53 0.58 -1.72 0.00 0.00 179.24 176.64 2aas h VAL 54 N 0.46 1.11 -0.90 -1.35 2.07 -0.86 -3.04 116.25 113.74 2aas h VAL 54 Ca 0.10 -2.86 0.15 0.00 0.82 0.00 0.00 66.70 64.92 2aas h VAL 54 Cb 0.29 2.62 -0.07 0.00 -1.52 0.00 0.00 31.29 32.60 2aas h VAL 54 CO 0.01 0.72 0.58 1.56 0.02 0.00 0.00 177.57 180.46 2aas h GLN 55 N 0.03 0.66 -0.03 1.57 4.20 -0.79 -0.78 115.11 119.97 2aas h GLN 55 Ca -0.22 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.45 2aas h GLN 55 Cb 1.96 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 29.59 2aas h GLN 55 CO 0.11 0.44 0.05 0.00 -0.67 0.00 0.00 178.83 178.76 2aas h ALA 56 N 1.60 1.39 -0.02 3.87 0.00 -1.27 -1.70 119.26 123.12 2aas h ALA 56 Ca 0.46 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.17 2aas h ALA 56 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2aas h ALA 56 CO -0.21 -0.06 -0.84 0.28 0.00 0.00 0.00 179.25 178.42 2aas h VAL 57 N 0.00 1.43 0.00 0.00 2.07 -1.15 -3.25 116.25 115.35 2aas h VAL 57 Ca 0.01 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2aas h VAL 57 Cb 0.11 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2aas h VAL 57 CO -0.00 0.71 0.00 0.00 0.02 0.00 0.00 177.57 178.30 2aas n SER 59 N -2.58 3.16 0.00 0.00 7.64 -1.23 -4.90 113.62 115.72 2aas n SER 59 Ca -0.02 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.49 2aas n SER 59 Cb 0.06 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2aas n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aas n GLN 60 N 0.05 0.00 -3.98 1.43 6.02 -0.39 -5.00 117.38 115.51 2aas n GLN 60 Ca 0.14 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.85 2aas n GLN 60 Cb 0.57 -0.14 -0.17 0.00 1.02 0.00 0.00 30.24 31.53 2aas n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2aas s LYS 61 N -0.00 1.80 0.09 -1.09 2.20 -0.52 -5.00 119.74 117.21 2aas s LYS 61 Ca 0.00 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 54.97 2aas s LYS 61 Cb 0.00 -1.76 -0.06 0.00 -1.51 0.00 0.00 37.83 34.51 2aas s LYS 61 CO 0.00 -0.24 0.87 1.21 -0.36 0.00 0.00 175.35 176.83 2aas s ASN 62 N 1.58 7.38 0.21 1.43 3.04 -1.26 -0.06 114.94 127.26 2aas s ASN 62 Ca 0.04 1.65 -0.01 0.00 0.04 0.00 0.00 52.86 54.58 2aas s ASN 62 Cb -0.13 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.01 2aas s ASN 62 CO -0.08 -0.01 0.17 0.68 -3.04 0.00 0.00 177.10 174.81 2aas s VAL 63 N -0.12 0.00 -0.08 -5.21 -7.23 -0.14 -4.93 120.40 102.69 2aas s VAL 63 Ca 0.43 -1.95 -0.13 0.00 -1.81 0.00 0.00 61.98 58.51 2aas s VAL 63 Cb -0.22 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 2aas s VAL 63 CO 0.27 0.00 0.33 0.00 -0.31 0.00 0.00 175.10 175.39 2aas s ALA 64 N -4.09 3.68 0.69 1.32 0.00 -1.26 -2.52 121.76 119.59 2aas s ALA 64 Ca 0.38 -0.36 -0.13 0.00 0.00 0.00 0.00 51.96 51.85 2aas s ALA 64 Cb 0.06 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2aas s ALA 64 CO 0.13 0.35 1.09 0.00 0.00 0.00 0.00 175.76 177.34 2aas h LYS 66 N -0.36 0.45 0.00 0.00 1.57 -1.95 0.25 116.57 116.53 2aas h LYS 66 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2aas h LYS 66 Cb 1.24 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2aas h LYS 66 CO 0.54 0.30 0.00 -2.95 -0.57 0.00 0.00 179.45 176.76 2aas h ASN 67 N 0.46 0.00 0.00 0.86 -1.07 -2.03 -3.47 115.58 110.33 2aas h ASN 67 Ca 0.68 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.05 2aas h ASN 67 Cb 1.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.67 2aas h ASN 67 CO -0.54 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.57 2aas n GLY 68 N 0.51 1.21 3.79 9.14 0.00 0.89 -5.11 105.19 115.61 2aas n GLY 68 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2aas n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aas s GLN 69 N -0.53 4.52 -0.05 1.61 -0.44 -1.25 -4.78 119.66 118.75 2aas s GLN 69 Ca 0.00 1.18 0.08 0.00 -2.50 0.00 0.00 55.36 54.12 2aas s GLN 69 Cb 0.00 -2.98 0.30 0.00 -1.64 0.00 0.00 33.01 28.69 2aas s GLN 69 CO 0.00 0.40 1.12 0.25 0.50 0.00 0.00 175.29 177.56 2aas n THR 70 N 0.94 0.76 -1.39 -0.34 -2.24 -1.26 -0.32 114.28 110.42 2aas n THR 70 Ca -0.01 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.24 2aas n THR 70 Cb 0.50 -0.10 0.21 0.00 -2.10 0.00 0.00 70.33 68.84 2aas n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2aas n ASN 71 N 0.32 2.70 -4.74 3.42 6.94 -1.26 -4.66 115.26 117.99 2aas n ASN 71 Ca 0.11 -3.68 -0.30 0.00 -0.02 0.00 0.00 54.58 50.69 2aas n ASN 71 Cb 0.44 -0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 37.15 2aas n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s TYR 73 N -1.41 0.11 -0.09 0.00 1.51 -0.50 -0.97 117.35 116.00 2aas s TYR 73 Ca 0.28 -0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 56.26 2aas s TYR 73 Cb -0.12 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 2aas s TYR 73 CO 0.21 -0.02 0.01 -1.14 -1.11 0.00 0.00 175.55 173.49 2aas s GLN 74 N -0.16 3.02 0.22 -0.62 0.74 0.91 -1.98 119.66 121.80 2aas s GLN 74 Ca -0.01 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.71 2aas s GLN 74 Cb -0.01 -2.81 -0.09 0.00 1.10 0.00 0.00 33.01 31.20 2aas s GLN 74 CO -0.00 0.69 0.90 -1.54 -0.55 0.00 0.00 175.29 174.79 2aas s SER 75 N -0.85 7.58 0.32 6.67 1.04 -1.13 -1.44 113.70 125.88 2aas s SER 75 Ca 0.13 1.87 0.25 0.00 0.48 0.00 0.00 55.95 58.68 2aas s SER 75 Cb -0.11 -2.58 1.09 0.00 0.10 0.00 0.00 66.02 64.52 2aas s SER 75 CO 0.02 0.17 1.76 1.88 0.98 0.00 0.00 173.24 178.06 2aas h TYR 76 N 4.21 0.00 -3.80 5.02 0.05 -1.95 -3.42 116.97 117.08 2aas h TYR 76 Ca -0.46 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 57.65 2aas h TYR 76 Cb 1.20 0.00 -0.20 0.00 1.01 0.00 0.00 36.73 38.75 2aas h TYR 76 CO 0.62 0.00 -0.79 0.45 -1.05 0.00 0.00 178.16 177.39 2aas s SER 77 N -4.45 3.94 0.29 3.88 0.15 -1.26 -5.12 113.70 111.13 2aas s SER 77 Ca 0.03 -0.47 -0.29 0.00 0.70 0.00 0.00 55.95 55.92 2aas s SER 77 Cb 0.09 -0.63 -0.10 0.00 -1.71 0.00 0.00 66.02 63.67 2aas s SER 77 CO 0.39 0.21 1.33 0.42 1.20 0.00 0.00 173.24 176.80 2aas s THR 78 N -1.05 2.82 0.12 6.45 -4.23 -1.26 -4.60 115.64 113.89 2aas s THR 78 Ca 0.17 0.77 0.10 0.00 -1.18 0.00 0.00 61.69 61.55 2aas s THR 78 Cb -0.11 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 2aas s THR 78 CO 0.08 0.16 -0.22 -0.04 -0.54 0.00 0.00 174.62 174.06 2aas s MET 79 N -1.17 1.62 -0.50 3.99 -1.94 0.82 -4.75 119.30 117.36 2aas s MET 79 Ca 0.52 -1.25 -0.28 0.00 -1.71 0.00 0.00 55.69 52.98 2aas s MET 79 Cb -0.39 -2.02 -0.01 0.00 2.01 0.00 0.00 34.83 34.42 2aas s MET 79 CO 0.48 0.47 1.68 0.45 -0.01 0.00 0.00 175.02 178.09 2aas s SER 80 N -2.07 5.77 0.04 3.03 0.15 -1.26 -1.51 113.70 117.85 2aas s SER 80 Ca 0.16 0.64 0.08 0.00 0.70 0.00 0.00 55.95 57.53 2aas s SER 80 Cb -0.10 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.08 -1.93 -0.24 0.27 1.20 0.00 0.00 173.24 172.62 2aas s ILE 81 N 7.33 1.94 -0.31 6.45 -5.25 0.28 -0.81 121.20 130.83 2aas s ILE 81 Ca 0.66 -1.29 0.03 0.00 -0.99 0.00 0.00 60.65 59.07 2aas s ILE 81 Cb -0.15 -1.66 0.08 0.00 2.95 0.00 0.00 42.46 43.68 2aas s ILE 81 CO 0.26 0.32 0.00 -0.89 -1.79 0.00 0.00 174.94 172.84 2aas s THR 82 N -0.78 2.31 -0.14 8.37 2.01 0.14 -0.92 115.64 126.64 2aas s THR 82 Ca 0.10 -2.06 -0.29 0.00 0.31 0.00 0.00 61.69 59.75 2aas s THR 82 Cb -0.09 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 2aas s THR 82 CO 0.02 -0.39 1.07 -0.62 -0.69 0.00 0.00 174.62 174.01 2aas s ASP 83 N 1.02 7.15 -0.34 3.53 -1.08 -0.09 0.25 116.67 127.11 2aas s ASP 83 Ca 0.03 1.55 -0.06 0.00 -0.52 0.00 0.00 52.55 53.55 2aas s ASP 83 Cb -0.20 -2.55 0.05 0.00 -1.46 0.00 0.00 42.92 38.76 2aas s ASP 83 CO -0.07 -0.56 0.11 0.00 0.52 0.00 0.00 175.17 175.17 2aas s ARG 85 N 1.36 1.93 0.25 0.00 3.52 -0.30 -0.88 118.95 124.83 2aas s ARG 85 Ca -0.01 -0.84 -0.31 0.00 -0.13 0.00 0.00 55.73 54.45 2aas s ARG 85 Cb -0.20 -1.85 -0.11 0.00 -1.56 0.00 0.00 34.95 31.23 2aas s ARG 85 CO 0.02 0.49 1.58 -1.21 -0.81 0.00 0.00 175.30 175.37 2aas s GLU 86 N -0.52 4.16 0.34 5.12 2.02 0.14 0.26 118.70 130.22 2aas s GLU 86 Ca 0.08 2.50 0.08 0.00 0.02 0.00 0.00 54.97 57.65 2aas s GLU 86 Cb -0.09 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2aas s GLU 86 CO -0.01 -0.61 0.18 -0.08 0.02 0.00 0.00 175.26 174.76 2aas s THR 87 N 0.38 3.19 0.32 3.63 -1.32 -0.64 -4.72 115.64 116.48 2aas s THR 87 Ca 0.66 -1.62 0.10 0.00 -1.21 0.00 0.00 61.69 59.62 2aas s THR 87 Cb -0.46 -3.03 0.32 0.00 -1.51 0.00 0.00 72.50 67.81 2aas s THR 87 CO 0.42 -0.19 1.68 1.23 -2.21 0.00 0.00 174.62 175.54 2aas h GLY 88 N 1.48 1.82 -2.06 6.08 0.00 -1.96 -1.71 103.07 106.71 2aas h GLY 88 Ca -0.44 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 2aas h GLY 88 CO 0.62 -0.39 0.07 -1.26 0.00 0.00 0.00 176.54 175.57 2aas n SER 89 N -5.06 2.79 -4.26 0.19 2.88 -1.26 -4.80 113.62 104.10 2aas n SER 89 Ca 0.27 -2.19 -0.42 0.00 -1.33 0.00 0.00 58.87 55.21 2aas n SER 89 Cb 0.83 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 63.67 2aas n SER 89 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2aas s SER 90 N 0.54 5.78 -0.10 -3.46 0.15 -0.65 -4.34 113.70 111.63 2aas s SER 90 Ca 0.07 -1.72 -0.04 0.00 0.70 0.00 0.00 55.95 54.97 2aas s SER 90 Cb 0.06 -2.04 0.05 0.00 -1.71 0.00 0.00 66.02 62.38 2aas s SER 90 CO 0.02 -0.66 0.19 -0.75 1.20 0.00 0.00 173.24 173.23 2aas s LYS 91 N 1.44 0.07 0.06 5.44 2.36 -0.06 -4.83 119.74 124.22 2aas s LYS 91 Ca 0.04 0.61 -0.36 0.00 -2.55 0.00 0.00 55.97 53.71 2aas s LYS 91 Cb -0.25 -0.20 -0.16 0.00 -1.05 0.00 0.00 37.83 36.16 2aas s LYS 91 CO 0.01 -0.30 1.43 0.98 1.55 0.00 0.00 175.35 179.02 2aas n TYR 92 N 5.29 1.71 0.31 4.03 9.36 -1.26 -0.44 117.16 136.15 2aas n TYR 92 Ca -0.06 0.55 0.12 0.00 3.32 0.00 0.00 57.90 61.84 2aas n TYR 92 Cb 0.50 -2.39 0.21 0.00 -0.63 0.00 0.00 39.34 37.04 2aas n TYR 92 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2aas h PRO 93 N 5.12 0.00 -5.29 2.98 0.14 -1.95 -3.49 132.00 129.51 2aas h PRO 93 Ca -0.47 0.00 -0.68 0.00 0.14 0.00 0.00 66.00 64.98 2aas h PRO 93 Cb 1.32 0.00 -0.15 0.00 0.14 0.00 0.00 31.00 32.31 2aas h PRO 93 CO 0.82 0.00 1.32 0.54 0.14 0.00 0.00 178.00 180.82 2aas s ASN 94 N -5.79 6.76 -0.06 1.44 4.22 0.42 -4.94 114.94 116.99 2aas s ASN 94 Ca 0.07 -2.25 -0.30 0.00 -2.14 0.00 0.00 52.86 48.24 2aas s ASN 94 Cb 0.07 -2.46 -0.03 0.00 1.28 0.00 0.00 41.25 40.11 2aas s ASN 94 CO 0.66 -1.08 1.19 0.00 -2.04 0.00 0.00 177.10 175.84 2aas s ALA 96 N 2.27 2.02 0.06 0.00 0.00 -1.26 -4.85 121.76 120.00 2aas s ALA 96 Ca 0.55 -0.94 0.09 0.00 0.00 0.00 0.00 51.96 51.66 2aas s ALA 96 Cb -0.24 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2aas s ALA 96 CO 0.21 -0.03 -0.25 0.71 0.00 0.00 0.00 175.76 176.40 2aas s TYR 97 N 0.85 2.20 -0.22 0.00 1.51 -1.26 -1.62 117.35 118.80 2aas s TYR 97 Ca -0.08 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.41 2aas s TYR 97 Cb -0.15 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 2aas s TYR 97 CO -0.01 0.15 0.46 0.21 -1.11 0.00 0.00 175.55 175.25 2aas s LYS 98 N -1.36 4.13 -0.13 -0.62 2.20 0.14 -4.67 119.74 119.44 2aas s LYS 98 Ca 0.11 0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.97 2aas s LYS 98 Cb -0.10 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 2aas s LYS 98 CO 0.03 -0.17 -0.05 0.99 -0.36 0.00 0.00 175.35 175.79 2aas s THR 99 N 1.73 3.84 -0.12 3.43 2.01 -0.96 -1.15 115.64 124.42 2aas s THR 99 Ca 0.20 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.83 2aas s THR 99 Cb -0.15 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.73 2aas s THR 99 CO 0.09 0.53 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.50 2aas s THR 100 N -0.05 1.56 -0.35 -0.82 2.01 0.06 -4.74 115.64 113.31 2aas s THR 100 Ca 0.01 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 2aas s THR 100 Cb -0.13 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 2aas s THR 100 CO 0.03 0.45 0.32 -1.58 -0.69 0.00 0.00 174.62 173.15 2aas s GLN 101 N 1.05 3.47 0.03 4.92 2.00 -1.26 -0.91 119.66 128.96 2aas s GLN 101 Ca -0.05 -0.56 0.01 0.00 -2.00 0.00 0.00 55.36 52.76 2aas s GLN 101 Cb -0.15 -3.83 -0.02 0.00 0.80 0.00 0.00 33.01 29.82 2aas s GLN 101 CO -0.03 -0.53 -0.05 0.00 -0.50 0.00 0.00 175.29 174.18 2aas s ALA 102 N 1.89 0.32 -0.54 1.58 0.00 -0.09 -5.03 121.76 119.89 2aas s ALA 102 Ca 0.09 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 2aas s ALA 102 Cb -0.17 0.09 0.14 0.00 0.00 0.00 0.00 23.12 23.18 2aas s ALA 102 CO 0.11 -0.08 0.38 -0.80 0.00 0.00 0.00 175.76 175.36 2aas s ASN 103 N -1.41 5.52 0.11 0.00 -0.87 -1.26 -0.56 114.94 116.47 2aas s ASN 103 Ca -0.12 -2.33 0.04 0.00 -1.57 0.00 0.00 52.86 48.87 2aas s ASN 103 Cb -0.09 -1.93 -0.04 0.00 -0.02 0.00 0.00 41.25 39.17 2aas s ASN 103 CO -0.00 -0.53 -0.10 -0.54 -2.57 0.00 0.00 177.10 173.35 2aas s LYS 104 N 0.72 0.91 0.34 -0.60 1.02 -0.57 -4.72 119.74 116.84 2aas s LYS 104 Ca 0.11 -1.25 -0.26 0.00 0.02 0.00 0.00 55.97 54.60 2aas s LYS 104 Cb -0.22 -0.56 -0.10 0.00 -0.52 0.00 0.00 37.83 36.44 2aas s LYS 104 CO -0.03 0.08 0.96 -1.01 -0.92 0.00 0.00 175.35 174.43 2aas s HIS 105 N -2.74 3.61 -0.02 3.18 3.76 -1.26 -0.13 115.29 121.69 2aas s HIS 105 Ca 0.09 1.75 0.06 0.00 -0.15 0.00 0.00 55.06 56.81 2aas s HIS 105 Cb -0.01 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.71 2aas s HIS 105 CO -0.00 0.07 -0.18 0.96 -0.85 0.00 0.00 174.74 174.74 2aas s ILE 106 N -1.65 2.75 -0.38 0.60 -4.36 -1.26 -0.01 121.20 116.89 2aas s ILE 106 Ca 0.52 -0.93 -0.07 0.00 -0.26 0.00 0.00 60.65 59.90 2aas s ILE 106 Cb -0.19 -2.07 0.06 0.00 1.25 0.00 0.00 42.46 41.52 2aas s ILE 106 CO 0.24 0.53 0.18 -0.63 0.24 0.00 0.00 174.94 175.49 2aas s ILE 107 N -0.75 3.90 -0.11 8.37 1.09 0.93 -2.85 121.20 131.77 2aas s ILE 107 Ca 0.12 -1.36 -0.04 0.00 -1.10 0.00 0.00 60.65 58.27 2aas s ILE 107 Cb -0.10 -3.34 -0.03 0.00 -1.06 0.00 0.00 42.46 37.92 2aas s ILE 107 CO 0.01 -0.38 0.02 0.68 -0.10 0.00 0.00 174.94 175.18 2aas s VAL 108 N 1.38 4.46 -0.34 2.92 -7.23 -0.84 -1.11 120.40 119.65 2aas s VAL 108 Ca 0.01 -0.18 -0.25 0.00 -1.81 0.00 0.00 61.98 59.76 2aas s VAL 108 Cb -0.21 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.82 2aas s VAL 108 CO 0.02 0.57 0.86 0.00 -0.31 0.00 0.00 175.10 176.23 2aas s ALA 109 N -0.54 3.47 0.13 1.32 0.00 0.57 -1.41 121.76 125.31 2aas s ALA 109 Ca 0.10 -0.44 0.10 0.00 0.00 0.00 0.00 51.96 51.72 2aas s ALA 109 Cb -0.12 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2aas s ALA 109 CO 0.02 -1.41 -0.24 0.00 0.00 0.00 0.00 175.76 174.14 2aas s GLU 111 N -2.17 0.40 0.00 0.00 4.04 -0.81 -4.91 118.70 115.26 2aas s GLU 111 Ca 0.16 -0.24 0.00 0.00 0.04 0.00 0.00 54.97 54.93 2aas s GLU 111 Cb -0.10 0.13 0.00 0.00 0.02 0.00 0.00 34.13 34.18 2aas s GLU 111 CO 0.08 -0.19 0.00 0.41 -1.84 0.00 0.00 175.26 173.72 2aas n GLY 112 N -0.64 -2.44 2.72 -3.83 0.00 -1.26 -2.11 105.19 97.63 2aas n GLY 112 Ca -0.04 -2.11 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 2aas n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aas s ASN 113 N -2.42 1.65 0.69 1.61 2.47 -1.26 -3.07 114.94 114.61 2aas s ASN 113 Ca 0.00 -0.38 -0.14 0.00 0.42 0.00 0.00 52.86 52.77 2aas s ASN 113 Cb 0.00 0.27 0.02 0.00 -1.45 0.00 0.00 41.25 40.09 2aas s ASN 113 CO 0.00 -0.34 1.11 -2.16 -3.72 0.00 0.00 177.10 171.99 2aas s PRO 114 N 2.29 2.60 -0.27 0.43 0.04 -1.26 -5.06 135.00 133.77 2aas s PRO 114 Ca 0.07 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 2aas s PRO 114 Cb -0.16 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2aas s PRO 114 CO -0.15 -1.40 1.56 -0.47 0.04 0.00 0.00 177.00 176.59 2aas s TYR 115 N -2.46 2.20 0.04 0.56 5.04 -1.18 -4.97 117.35 116.58 2aas s TYR 115 Ca 0.66 0.62 0.04 0.00 -2.44 0.00 0.00 57.07 55.96 2aas s TYR 115 Cb -0.20 -4.03 -0.02 0.00 0.35 0.00 0.00 41.96 38.05 2aas s TYR 115 CO 0.45 -2.62 -0.12 0.14 -1.34 0.00 0.00 175.55 172.06 2aas s VAL 116 N 5.32 0.96 0.10 3.14 -7.23 -0.90 -4.83 120.40 116.97 2aas s VAL 116 Ca 0.69 -1.03 -0.31 0.00 -1.81 0.00 0.00 61.98 59.52 2aas s VAL 116 Cb -0.22 -0.90 -0.10 0.00 0.56 0.00 0.00 36.38 35.72 2aas s VAL 116 CO 0.29 -0.11 1.81 -2.16 -0.31 0.00 0.00 175.10 174.62 2aas s PRO 117 N -1.28 4.15 -0.17 4.82 0.04 -1.26 -1.93 135.00 139.36 2aas s PRO 117 Ca -0.01 2.55 0.12 0.00 0.04 0.00 0.00 61.00 63.70 2aas s PRO 117 Cb -0.08 -3.66 -0.19 0.00 0.04 0.00 0.00 34.50 30.61 2aas s PRO 117 CO 0.01 -0.84 0.01 1.33 0.04 0.00 0.00 177.00 177.55 2aas n VAL 118 N 4.83 1.16 -3.91 -0.36 0.24 0.83 -4.39 118.33 116.73 2aas n VAL 118 Ca 0.18 -0.66 -0.10 0.00 -2.04 0.00 0.00 64.34 61.72 2aas n VAL 118 Cb 0.39 -0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 31.96 2aas n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2aas s HIS 119 N -2.41 0.13 -0.06 6.34 3.76 -1.03 -2.88 115.29 119.14 2aas s HIS 119 Ca -0.12 -0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 54.44 2aas s HIS 119 Cb 0.05 -0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.61 2aas s HIS 119 CO 0.64 -0.32 0.01 0.12 -0.85 0.00 0.00 174.74 174.34 2aas s PHE 120 N -1.96 3.15 0.00 1.40 2.19 -1.26 -0.31 117.98 121.19 2aas s PHE 120 Ca -0.10 0.17 0.00 0.00 0.33 0.00 0.00 56.93 57.33 2aas s PHE 120 Cb -0.05 -1.76 0.00 0.00 -1.31 0.00 0.00 43.02 39.90 2aas s PHE 120 CO -0.01 0.47 0.00 -3.47 1.83 0.00 0.00 175.22 174.04 2aas n ASP 121 N 1.92 0.00 -4.07 6.13 2.03 -0.27 -4.92 116.55 117.37 2aas n ASP 121 Ca -0.17 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.96 2aas n ASP 121 Cb 0.53 -0.03 -0.14 0.00 -0.72 0.00 0.00 41.12 40.77 2aas n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aas s ALA 122 N -2.20 0.85 -0.26 -1.67 0.00 -1.18 -5.01 121.76 112.30 2aas s ALA 122 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 2aas s ALA 122 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.98 2aas s ALA 122 CO 0.00 0.16 0.01 -1.54 0.00 0.00 0.00 175.76 174.39 2aas s SER 123 N -0.77 4.69 0.00 0.00 1.04 -1.26 -0.05 113.70 117.35 2aas s SER 123 Ca 0.00 -0.60 0.20 0.00 0.48 0.00 0.00 55.95 56.04 2aas s SER 123 Cb -0.06 -1.79 0.16 0.00 0.10 0.00 0.00 66.02 64.43 2aas s SER 123 CO 0.00 -0.11 1.15 1.33 0.98 0.00 0.00 173.24 176.59