#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 3.81 0.92 1.97 2.12 -1.26 -4.93 118.70 121.33 2aas s GLU 2 Ca 0.00 -1.71 -0.13 0.00 0.36 0.00 0.00 54.97 53.50 2aas s GLU 2 Cb 0.00 -5.35 0.14 0.00 0.26 0.00 0.00 34.13 29.19 2aas s GLU 2 CO 0.00 -2.13 1.14 0.95 -0.54 0.00 0.00 175.26 174.69 2aas s THR 3 N 4.03 1.99 0.23 -1.70 -4.23 -1.26 -4.84 115.64 109.86 2aas s THR 3 Ca 0.47 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 2aas s THR 3 Cb 0.01 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.37 2aas s THR 3 CO -0.02 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 175.68 2aas h ALA 4 N -1.53 0.54 -0.81 3.99 0.00 -1.91 -0.06 119.26 119.48 2aas h ALA 4 Ca -0.50 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2aas h ALA 4 Cb 1.33 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 2aas h ALA 4 CO 0.60 -0.42 0.36 0.00 0.00 0.00 0.00 179.25 179.80 2aas h ALA 5 N 1.71 1.05 -0.78 0.00 0.00 -1.80 -1.72 119.26 117.71 2aas h ALA 5 Ca 0.36 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2aas h ALA 5 Cb 0.57 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2aas h ALA 5 CO -0.71 0.63 0.33 0.00 0.00 0.00 0.00 179.25 179.50 2aas h ALA 6 N 1.19 1.01 -0.52 0.00 0.00 -1.48 -1.99 119.26 117.48 2aas h ALA 6 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2aas h ALA 6 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2aas h ALA 6 CO -0.03 0.62 0.29 0.87 0.00 0.00 0.00 179.25 180.99 2aas h LYS 7 N 1.12 0.73 -0.12 0.00 1.57 -0.43 -0.13 116.57 119.31 2aas h LYS 7 Ca 0.26 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2aas h LYS 7 Cb 0.19 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 2aas h LYS 7 CO -0.03 0.56 -0.28 0.35 -0.57 0.00 0.00 179.45 179.48 2aas h PHE 8 N 0.70 -0.77 -0.44 -1.35 3.57 -1.11 -0.01 116.94 117.52 2aas h PHE 8 Ca 0.18 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.80 2aas h PHE 8 Cb 0.05 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 2aas h PHE 8 CO -0.02 -0.37 -0.01 0.93 -2.23 0.00 0.00 178.31 176.62 2aas h GLU 9 N -0.36 0.10 0.54 1.11 5.08 -0.76 0.16 114.58 120.45 2aas h GLU 9 Ca 0.10 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2aas h GLU 9 Cb 0.51 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2aas h GLU 9 CO -0.33 0.07 -0.26 -0.09 -1.00 0.00 0.00 179.01 177.40 2aas h ARG 10 N 0.10 -0.70 -0.42 2.33 1.12 -0.75 -0.76 114.38 115.30 2aas h ARG 10 Ca 0.22 0.05 -0.12 0.00 -1.11 0.00 0.00 59.98 59.01 2aas h ARG 10 Cb 0.32 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 2aas h ARG 10 CO -0.37 -0.43 -0.22 1.96 -3.11 0.00 0.00 179.97 177.80 2aas h GLN 11 N -0.82 0.85 0.00 0.20 4.20 -0.90 -3.42 115.11 115.22 2aas h GLN 11 Ca -0.07 -0.35 -0.14 0.00 0.06 0.00 0.00 58.65 58.14 2aas h GLN 11 Cb 0.59 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2aas h GLN 11 CO 0.12 0.99 -1.50 0.72 -0.67 0.00 0.00 178.83 178.49 2aas n HIS 12 N -4.11 0.00 -2.47 2.96 8.25 0.55 -4.42 115.22 115.98 2aas n HIS 12 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2aas n HIS 12 Cb 0.44 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 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 -2.17 4.38 -0.35 -0.41 -1.94 -0.30 0.47 119.30 118.98 2aas s MET 13 Ca -0.12 1.68 0.12 0.00 -1.71 0.00 0.00 55.69 55.66 2aas s MET 13 Cb 0.04 -3.51 0.45 0.00 2.01 0.00 0.00 34.83 33.83 2aas s MET 13 CO 0.18 -0.38 1.06 -0.25 -0.01 0.00 0.00 175.02 175.62 2aas n ASP 14 N 4.85 3.13 -0.14 3.03 9.92 -0.35 -4.89 116.55 132.10 2aas n ASP 14 Ca 0.10 -3.13 0.09 0.00 -0.53 0.00 0.00 54.79 51.32 2aas n ASP 14 Cb 0.47 -0.47 0.42 0.00 -0.64 0.00 0.00 41.12 40.89 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 2.68 0.53 0.20 -2.24 0.02 -1.75 -1.14 113.55 111.86 2aas h SER 15 Ca 0.10 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2aas h SER 15 Cb 1.14 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2aas h SER 15 CO 0.62 0.33 -0.18 0.77 -1.14 0.00 0.00 176.83 177.24 2aas h SER 16 N 0.60 0.00 -3.68 3.07 4.64 -1.92 -3.43 113.55 112.83 2aas h SER 16 Ca 0.30 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.95 2aas h SER 16 Cb 0.40 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.25 2aas h SER 16 CO -0.10 0.18 -0.75 0.42 -0.87 0.00 0.00 176.83 175.71 2aas s THR 17 N -4.59 3.23 0.02 2.95 -4.23 -0.43 -5.03 115.64 107.56 2aas s THR 17 Ca -0.04 -0.63 0.16 0.00 -1.18 0.00 0.00 61.69 59.99 2aas s THR 17 Cb 0.15 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.74 2aas s THR 17 CO 0.68 0.56 1.55 -1.28 -0.54 0.00 0.00 174.62 175.60 2aas h SER 18 N 5.87 0.00 -4.60 3.99 0.87 -1.83 -3.42 113.55 114.43 2aas h SER 18 Ca -0.39 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.24 2aas h SER 18 Cb 1.18 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.97 2aas h SER 18 CO 0.53 0.51 0.43 0.00 -0.53 0.00 0.00 176.83 177.78 2aas s ALA 19 N -3.22 -1.82 -0.60 6.23 0.00 -1.26 -4.81 121.76 116.29 2aas s ALA 19 Ca 0.02 1.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.84 2aas s ALA 19 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2aas s ALA 19 CO 0.73 -0.56 1.75 0.00 0.00 0.00 0.00 175.76 177.68 2aas s ALA 20 N -2.46 2.35 0.28 0.00 0.00 -1.26 -4.90 121.76 115.77 2aas s ALA 20 Ca 0.01 -0.65 0.37 0.00 0.00 0.00 0.00 51.96 51.69 2aas s ALA 20 Cb -0.01 -4.26 1.77 0.00 0.00 0.00 0.00 23.12 20.62 2aas s ALA 20 CO -0.04 -3.64 2.11 0.66 0.00 0.00 0.00 175.76 174.85 2aas h SER 21 N 13.92 0.00 -5.24 0.00 4.64 -1.99 -3.45 113.55 121.42 2aas h SER 21 Ca -0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 2aas h SER 21 Cb 1.14 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.10 2aas h SER 21 CO 1.20 0.00 -0.46 -0.94 -0.87 0.00 0.00 176.83 175.76 2aas s SER 22 N -5.33 0.20 0.48 4.97 1.04 -1.26 -5.03 113.70 108.77 2aas s SER 22 Ca -0.01 -0.86 0.24 0.00 0.48 0.00 0.00 55.95 55.79 2aas s SER 22 Cb 0.10 0.33 1.30 0.00 0.10 0.00 0.00 66.02 67.85 2aas s SER 22 CO 0.47 -0.75 1.69 0.77 0.98 0.00 0.00 173.24 176.41 2aas h SER 23 N 2.79 0.00 0.00 7.02 4.64 -1.88 -2.58 113.55 123.54 2aas h SER 23 Ca -0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 2aas h SER 23 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 2aas h SER 23 CO 0.56 0.00 -0.33 0.59 -0.87 0.00 0.00 176.83 176.78 2aas n ASN 24 N -2.49 1.45 -0.12 4.97 4.13 -1.26 -2.56 115.26 119.38 2aas n ASN 24 Ca -0.02 -2.82 -0.05 0.00 1.68 0.00 0.00 54.58 53.38 2aas n ASN 24 Cb 0.26 -0.37 0.01 0.00 -1.54 0.00 0.00 39.78 38.15 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 0.28 -0.22 -0.91 3.10 3.20 -1.79 -2.01 116.97 118.63 2aas h TYR 25 Ca -0.02 0.04 0.22 0.00 3.14 0.00 0.00 58.73 62.10 2aas h TYR 25 Cb 1.21 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 39.57 2aas h TYR 25 CO 0.18 -0.17 0.61 0.00 -1.64 0.00 0.00 178.16 177.13 2aas h ASN 27 N 0.34 -1.29 0.07 0.00 4.21 -1.62 0.80 115.58 118.10 2aas h ASN 27 Ca 0.47 0.19 -0.23 0.00 1.21 0.00 0.00 56.30 57.94 2aas h ASN 27 Cb 1.27 0.55 0.02 0.00 -1.12 0.00 0.00 38.32 39.04 2aas h ASN 27 CO -0.16 -0.39 -0.94 -0.61 -1.29 0.00 0.00 177.43 174.05 2aas h GLN 28 N -0.41 0.51 -0.47 0.81 -0.00 -1.68 -3.29 115.11 110.58 2aas h GLN 28 Ca 0.11 -0.64 -0.04 0.00 -0.00 0.00 0.00 58.65 58.08 2aas h GLN 28 Cb 0.60 0.20 -0.02 0.00 0.00 0.00 0.00 27.48 28.26 2aas h GLN 28 CO -0.46 1.26 0.15 1.98 0.00 0.00 0.00 178.83 181.77 2aas h MET 29 N 0.05 0.72 -0.95 1.69 4.05 -1.23 -1.39 114.93 117.88 2aas h MET 29 Ca -0.14 -0.15 0.13 0.00 -0.28 0.00 0.00 59.70 59.26 2aas h MET 29 Cb 1.65 -0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 32.26 2aas h MET 29 CO 0.18 0.68 0.61 0.52 0.23 0.00 0.00 176.91 179.13 2aas h MET 30 N 0.62 0.85 -0.04 0.39 2.86 -0.97 -2.69 114.93 115.95 2aas h MET 30 Ca 0.15 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2aas h MET 30 Cb 0.26 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2aas h MET 30 CO -0.01 0.56 -0.09 0.87 1.06 0.00 0.00 176.91 179.31 2aas h LYS 31 N 0.88 0.13 -0.16 1.72 1.57 -1.48 -2.65 116.57 116.57 2aas h LYS 31 Ca 0.48 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 2aas h LYS 31 Cb 0.57 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2aas h LYS 31 CO -0.24 0.68 -0.01 0.66 -0.57 0.00 0.00 179.45 179.97 2aas h SER 32 N -0.41 0.20 0.04 0.86 4.64 -1.13 0.89 113.55 118.65 2aas h SER 32 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2aas h SER 32 Cb 0.68 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2aas h SER 32 CO 0.02 0.26 0.00 0.54 -0.87 0.00 0.00 176.83 176.78 2aas n ARG 33 N -4.39 0.75 -0.99 4.77 5.12 -1.03 -4.93 116.66 115.95 2aas n ARG 33 Ca -0.01 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2aas n ARG 33 Cb 0.17 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 -1.03 -4.47 0.31 0.55 3.02 0.31 -4.81 115.26 109.14 2aas n ASN 34 Ca 0.18 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.92 2aas n ASN 34 Cb 0.10 -2.11 1.04 0.00 -0.61 0.00 0.00 39.78 38.20 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 -3.21 3.41 3.38 -1.66 -2.56 115.31 114.67 2aas h LEU 35 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aas h LEU 35 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2aas h LEU 35 CO 0.00 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.89 2aas n THR 36 N -3.46 2.14 0.33 0.22 -2.24 -1.25 -4.30 114.28 105.71 2aas n THR 36 Ca -0.03 -1.81 0.22 0.00 -2.27 0.00 0.00 64.05 60.16 2aas n THR 36 Cb 0.09 -0.18 1.11 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.72 0.00 0.00 -0.78 2.10 -1.81 -3.23 116.57 114.57 2aas h LYS 37 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2aas h LYS 37 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 2aas h LYS 37 CO 0.19 0.00 -0.81 -0.25 -2.00 0.00 0.00 179.45 176.58 2aas n ASP 38 N -3.11 1.14 -4.01 7.07 8.00 -1.26 -5.09 116.55 119.29 2aas n ASP 38 Ca -0.02 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.39 2aas n ASP 38 Cb 0.12 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aas s ARG 39 N -1.93 0.79 -0.45 -1.24 1.70 -1.22 -4.96 118.95 111.63 2aas s ARG 39 Ca 0.00 -1.16 -0.29 0.00 -0.47 0.00 0.00 55.73 53.81 2aas s ARG 39 Cb 0.00 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2aas s ARG 39 CO 0.00 -0.21 1.39 0.00 -1.08 0.00 0.00 175.30 175.40 2aas s LYS 41 N 5.04 4.15 0.14 0.00 2.20 -1.26 -4.94 119.74 125.07 2aas s LYS 41 Ca 0.58 2.55 -0.31 0.00 -0.36 0.00 0.00 55.97 58.44 2aas s LYS 41 Cb -0.12 -3.59 -0.07 0.00 -1.51 0.00 0.00 37.83 32.54 2aas s LYS 41 CO 0.31 -0.82 1.56 -1.35 -0.36 0.00 0.00 175.35 174.69 2aas h PRO 42 N 8.55 -0.41 -3.60 4.03 0.11 -1.93 -3.42 132.00 135.32 2aas h PRO 42 Ca -0.45 0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.48 2aas h PRO 42 Cb 1.21 0.09 -0.27 0.00 0.11 0.00 0.00 31.00 32.15 2aas h PRO 42 CO 0.95 -0.28 -0.64 0.08 -0.21 0.00 0.00 178.00 177.90 2aas s VAL 43 N -5.76 0.01 0.07 3.15 1.01 -1.26 -0.87 120.40 116.75 2aas s VAL 43 Ca -0.15 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 2aas s VAL 43 Cb 0.09 -0.12 0.05 0.00 0.00 0.00 0.00 36.38 36.40 2aas s VAL 43 CO 0.63 -0.05 0.49 0.21 0.00 0.00 0.00 175.10 176.39 2aas s ASN 44 N -0.12 -0.40 -0.12 3.32 2.47 -0.12 -5.02 114.94 114.95 2aas s ASN 44 Ca -0.02 0.04 0.01 0.00 0.42 0.00 0.00 52.86 53.32 2aas s ASN 44 Cb -0.01 0.49 0.02 0.00 -1.45 0.00 0.00 41.25 40.30 2aas s ASN 44 CO 0.00 -0.76 -0.15 -0.89 -3.72 0.00 0.00 177.10 171.58 2aas s THR 45 N -2.84 1.53 0.20 -5.21 2.01 -1.26 0.23 115.64 110.30 2aas s THR 45 Ca -0.03 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 2aas s THR 45 Cb -0.00 -1.41 -0.07 0.00 0.01 0.00 0.00 72.50 71.03 2aas s THR 45 CO -0.05 0.45 0.53 -0.36 -0.69 0.00 0.00 174.62 174.50 2aas s PHE 46 N 1.16 3.46 -0.23 4.92 0.08 0.93 -4.18 117.98 124.11 2aas s PHE 46 Ca -0.03 0.87 0.01 0.00 0.12 0.00 0.00 56.93 57.90 2aas s PHE 46 Cb -0.14 -2.25 0.06 0.00 -0.57 0.00 0.00 43.02 40.12 2aas s PHE 46 CO -0.05 0.32 -0.07 0.08 -0.10 0.00 0.00 175.22 175.40 2aas s VAL 47 N -1.73 1.70 -1.30 -0.44 1.01 0.18 0.35 120.40 120.17 2aas s VAL 47 Ca 0.45 -1.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 2aas s VAL 47 Cb -0.12 -1.89 0.14 0.00 0.00 0.00 0.00 36.38 34.50 2aas s VAL 47 CO 0.21 -0.04 2.31 1.41 0.00 0.00 0.00 175.10 178.99 2aas n HIS 48 N 4.62 2.62 -4.22 5.22 8.25 0.46 -1.21 115.22 130.97 2aas n HIS 48 Ca -0.13 -2.80 -0.12 0.00 -0.26 0.00 0.00 57.72 54.41 2aas n HIS 48 Cb 0.44 -1.79 -0.10 0.00 1.12 0.00 0.00 29.99 29.66 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 -1.35 1.13 0.66 -0.41 0.41 -1.26 -4.52 118.70 113.37 2aas s GLU 49 Ca 0.52 -1.57 -0.13 0.00 -0.41 0.00 0.00 54.97 53.38 2aas s GLU 49 Cb 0.18 0.03 -0.00 0.00 -1.78 0.00 0.00 34.13 32.56 2aas s GLU 49 CO -0.09 -0.27 1.07 -1.54 -0.49 0.00 0.00 175.26 173.94 2aas s SER 50 N -3.16 5.37 0.23 -0.19 1.04 -1.26 -3.57 113.70 112.15 2aas s SER 50 Ca 0.30 1.78 -0.07 0.00 0.48 0.00 0.00 55.95 58.44 2aas s SER 50 Cb 0.07 -2.52 0.28 0.00 0.10 0.00 0.00 66.02 63.94 2aas s SER 50 CO 0.07 -1.45 1.84 0.25 0.98 0.00 0.00 173.24 174.93 2aas h LEU 51 N -0.21 0.73 -0.77 2.42 5.85 -1.99 -2.07 115.31 119.27 2aas h LEU 51 Ca -0.45 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.43 2aas h LEU 51 Cb 1.22 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 42.02 2aas h LEU 51 CO 0.56 0.48 0.32 0.00 -0.34 0.00 0.00 178.44 179.46 2aas h ALA 52 N 1.37 1.11 -0.65 1.25 0.00 -1.99 0.20 119.26 120.54 2aas h ALA 52 Ca 0.33 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 2aas h ALA 52 Cb 0.14 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2aas h ALA 52 CO -0.16 -0.20 0.15 -0.44 0.00 0.00 0.00 179.25 178.60 2aas h ASP 53 N 0.47 0.98 1.17 0.00 3.32 -1.77 -2.60 116.42 117.99 2aas h ASP 53 Ca 0.43 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 57.10 2aas h ASP 53 Cb 0.65 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2aas h ASP 53 CO -0.40 0.95 -0.84 0.58 -1.72 0.00 0.00 179.24 177.81 2aas h VAL 54 N 0.99 1.30 -0.18 -1.35 2.07 -0.85 -2.97 116.25 115.25 2aas h VAL 54 Ca 0.21 -2.86 -0.00 0.00 0.82 0.00 0.00 66.70 64.86 2aas h VAL 54 Cb 0.37 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2aas h VAL 54 CO 0.00 0.74 0.09 1.56 0.02 0.00 0.00 177.57 179.99 2aas h GLN 55 N 0.00 0.24 0.00 1.57 4.20 -0.49 -1.17 115.11 119.46 2aas h GLN 55 Ca -0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2aas h GLN 55 Cb 1.62 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.35 2aas h GLN 55 CO 0.10 0.19 -0.04 0.00 -0.67 0.00 0.00 178.83 178.41 2aas h ALA 56 N 1.86 1.30 -0.02 3.87 0.00 -1.29 -2.23 119.26 122.74 2aas h ALA 56 Ca 0.06 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2aas h ALA 56 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2aas h ALA 56 CO -0.01 0.05 -0.78 0.28 0.00 0.00 0.00 179.25 178.78 2aas h VAL 57 N 0.00 1.47 0.00 0.00 2.07 -1.28 -3.11 116.25 115.40 2aas h VAL 57 Ca -0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 2aas h VAL 57 Cb 0.13 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 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 -2.78 3.58 0.00 0.00 7.64 -1.17 -4.88 113.62 116.00 2aas n SER 59 Ca -0.02 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.27 2aas n SER 59 Cb 0.06 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 -0.01 0.00 -4.04 1.43 6.02 -0.62 -5.03 117.38 115.13 2aas n GLN 60 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 2aas n GLN 60 Cb 0.71 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.82 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 0.02 2.66 0.11 -1.09 2.20 -0.32 -4.99 119.74 118.33 2aas s LYS 61 Ca 0.00 -1.08 -0.30 0.00 -0.36 0.00 0.00 55.97 54.23 2aas s LYS 61 Cb 0.00 -2.84 -0.06 0.00 -1.51 0.00 0.00 37.83 33.42 2aas s LYS 61 CO 0.00 -0.41 1.08 1.21 -0.36 0.00 0.00 175.35 176.87 2aas s ASN 62 N 1.23 7.27 0.17 1.43 3.84 -1.26 0.26 114.94 127.88 2aas s ASN 62 Ca -0.02 1.95 -0.01 0.00 0.21 0.00 0.00 52.86 55.00 2aas s ASN 62 Cb -0.17 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 37.90 2aas s ASN 62 CO -0.07 -0.27 0.08 0.68 -2.79 0.00 0.00 177.10 174.73 2aas s VAL 63 N 0.33 0.15 0.04 -5.21 -7.23 0.38 -4.92 120.40 103.94 2aas s VAL 63 Ca 0.52 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.56 2aas s VAL 63 Cb -0.27 -2.24 -0.06 0.00 0.56 0.00 0.00 36.38 34.37 2aas s VAL 63 CO 0.31 -0.28 0.49 0.00 -0.31 0.00 0.00 175.10 175.32 2aas s ALA 64 N -4.03 3.64 0.67 1.32 0.00 -1.26 -2.49 121.76 119.61 2aas s ALA 64 Ca 0.30 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 2aas s ALA 64 Cb 0.07 -2.52 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 2aas s ALA 64 CO 0.06 0.44 1.08 0.00 0.00 0.00 0.00 175.76 177.34 2aas h LYS 66 N -0.22 0.20 0.00 0.00 1.57 -1.97 0.20 116.57 116.35 2aas h LYS 66 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2aas h LYS 66 Cb 1.23 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2aas h LYS 66 CO 0.55 0.13 -0.16 0.27 -0.57 0.00 0.00 179.45 179.68 2aas n ASN 67 N -5.14 0.64 0.00 0.86 6.94 -1.26 -4.94 115.26 112.36 2aas n ASN 67 Ca 0.33 0.42 0.00 0.00 -0.02 0.00 0.00 54.58 55.31 2aas n ASN 67 Cb 1.05 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 2aas n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2aas n GLY 68 N 1.36 0.79 3.77 4.83 0.00 0.72 -5.11 105.19 111.55 2aas n GLY 68 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.43 4.43 0.00 1.61 -0.44 -1.25 -4.72 119.66 118.86 2aas s GLN 69 Ca 0.00 1.74 0.13 0.00 -2.50 0.00 0.00 55.36 54.73 2aas s GLN 69 Cb 0.00 -2.95 0.67 0.00 -1.64 0.00 0.00 33.01 29.09 2aas s GLN 69 CO 0.00 0.04 1.45 0.25 0.50 0.00 0.00 175.29 177.53 2aas n THR 70 N 0.70 0.09 -1.25 -0.34 -2.24 -1.26 0.06 114.28 110.04 2aas n THR 70 Ca 0.01 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.41 2aas n THR 70 Cb 0.46 -0.03 0.16 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.36 4.55 -4.61 3.42 6.94 -1.26 -4.66 115.26 119.27 2aas n ASN 71 Ca 0.10 -3.65 -0.30 0.00 -0.02 0.00 0.00 54.58 50.72 2aas n ASN 71 Cb 0.12 -0.87 -0.09 0.00 -2.36 0.00 0.00 39.78 36.58 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 -1.24 -0.08 -0.03 0.00 2.02 0.15 -0.47 117.35 117.71 2aas s TYR 73 Ca 0.23 0.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 2aas s TYR 73 Cb -0.11 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.43 2aas s TYR 73 CO 0.15 -0.09 0.01 -1.14 -1.57 0.00 0.00 175.55 172.91 2aas s GLN 74 N -0.20 2.88 0.40 -0.62 0.74 0.14 -1.30 119.66 121.70 2aas s GLN 74 Ca -0.03 -0.53 -0.22 0.00 0.05 0.00 0.00 55.36 54.63 2aas s GLN 74 Cb -0.02 -2.73 -0.10 0.00 1.10 0.00 0.00 33.01 31.26 2aas s GLN 74 CO 0.00 0.65 0.96 -1.54 -0.55 0.00 0.00 175.29 174.81 2aas s SER 75 N -1.36 6.99 0.39 6.67 1.04 -0.86 -1.17 113.70 125.41 2aas s SER 75 Ca 0.18 1.76 0.28 0.00 0.48 0.00 0.00 55.95 58.66 2aas s SER 75 Cb -0.11 -2.55 1.21 0.00 0.10 0.00 0.00 66.02 64.66 2aas s SER 75 CO 0.08 -0.32 1.85 1.88 0.98 0.00 0.00 173.24 177.71 2aas h TYR 76 N 2.25 0.00 -4.42 5.02 0.05 -1.94 -3.43 116.97 114.49 2aas h TYR 76 Ca -0.48 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 57.97 2aas h TYR 76 Cb 1.19 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.82 2aas h TYR 76 CO 0.61 0.00 -0.35 0.45 -1.05 0.00 0.00 178.16 177.82 2aas s SER 77 N -4.83 0.99 0.24 3.88 0.15 -1.26 -5.09 113.70 107.78 2aas s SER 77 Ca 0.02 -1.53 -0.24 0.00 0.70 0.00 0.00 55.95 54.90 2aas s SER 77 Cb 0.09 0.58 -0.09 0.00 -1.71 0.00 0.00 66.02 64.89 2aas s SER 77 CO 0.44 -1.14 0.83 0.42 1.20 0.00 0.00 173.24 174.99 2aas s THR 78 N -3.42 4.35 0.10 6.45 -4.23 -1.26 -4.57 115.64 113.06 2aas s THR 78 Ca 0.35 1.65 0.09 0.00 -1.18 0.00 0.00 61.69 62.60 2aas s THR 78 Cb 0.02 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 2aas s THR 78 CO 0.21 0.30 -0.24 -0.04 -0.54 0.00 0.00 174.62 174.31 2aas s MET 79 N -1.70 1.31 -0.38 3.99 -1.94 -0.19 -4.81 119.30 115.58 2aas s MET 79 Ca 0.43 -1.20 -0.28 0.00 -1.71 0.00 0.00 55.69 52.93 2aas s MET 79 Cb -0.20 -1.64 -0.01 0.00 2.01 0.00 0.00 34.83 34.99 2aas s MET 79 CO 0.24 0.39 1.67 0.45 -0.01 0.00 0.00 175.02 177.76 2aas s SER 80 N -1.82 6.00 -0.02 3.03 0.15 -1.26 -2.51 113.70 117.26 2aas s SER 80 Ca 0.10 1.05 0.06 0.00 0.70 0.00 0.00 55.95 57.85 2aas s SER 80 Cb -0.10 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2aas s SER 80 CO 0.04 -1.67 -0.20 0.27 1.20 0.00 0.00 173.24 172.89 2aas s ILE 81 N 6.55 1.57 -0.33 6.45 -5.25 0.51 -0.40 121.20 130.29 2aas s ILE 81 Ca 0.72 -0.84 0.01 0.00 -0.99 0.00 0.00 60.65 59.56 2aas s ILE 81 Cb -0.19 -1.31 0.09 0.00 2.95 0.00 0.00 42.46 44.00 2aas s ILE 81 CO 0.32 0.44 0.05 -0.89 -1.79 0.00 0.00 174.94 173.07 2aas s THR 82 N -0.35 2.58 -0.10 8.37 2.01 0.16 -0.61 115.64 127.70 2aas s THR 82 Ca 0.05 -2.01 -0.30 0.00 0.31 0.00 0.00 61.69 59.74 2aas s THR 82 Cb -0.09 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 2aas s THR 82 CO 0.00 -0.44 1.09 -0.62 -0.69 0.00 0.00 174.62 173.96 2aas s ASP 83 N 1.19 7.16 -0.39 3.53 -1.08 -0.23 -0.05 116.67 126.80 2aas s ASP 83 Ca 0.04 1.63 -0.06 0.00 -0.52 0.00 0.00 52.55 53.64 2aas s ASP 83 Cb -0.20 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 38.79 2aas s ASP 83 CO -0.06 -0.52 0.20 0.00 0.52 0.00 0.00 175.17 175.31 2aas s ARG 85 N 1.30 2.40 0.26 0.00 3.52 -0.62 -0.95 118.95 124.86 2aas s ARG 85 Ca 0.03 -0.85 -0.31 0.00 -0.13 0.00 0.00 55.73 54.48 2aas s ARG 85 Cb -0.22 -2.20 -0.12 0.00 -1.56 0.00 0.00 34.95 30.85 2aas s ARG 85 CO -0.01 0.51 1.62 0.39 -0.81 0.00 0.00 175.30 177.01 2aas n GLU 86 N 2.59 2.67 -4.13 5.12 1.02 -0.05 0.40 120.64 128.27 2aas n GLU 86 Ca -0.17 0.95 -0.23 0.00 -0.02 0.00 0.00 57.16 57.70 2aas n GLU 86 Cb 0.52 -2.75 -0.06 0.00 -0.02 0.00 0.00 31.44 29.12 2aas n GLU 86 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2aas s THR 87 N 0.37 3.21 0.31 2.62 -1.32 -0.04 -4.70 115.64 116.09 2aas s THR 87 Ca 0.68 -1.71 0.06 0.00 -1.21 0.00 0.00 61.69 59.52 2aas s THR 87 Cb -0.51 -2.99 0.36 0.00 -1.51 0.00 0.00 72.50 67.85 2aas s THR 87 CO 0.43 -0.23 1.61 1.23 -2.21 0.00 0.00 174.62 175.45 2aas h GLY 88 N 1.60 1.53 -1.80 6.08 0.00 -1.96 -1.29 103.07 107.22 2aas h GLY 88 Ca -0.44 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 2aas h GLY 88 CO 0.62 -0.52 0.04 -1.26 0.00 0.00 0.00 176.54 175.43 2aas n SER 89 N -5.33 2.37 -4.31 0.19 2.88 -1.26 -4.80 113.62 103.36 2aas n SER 89 Ca 0.26 -2.15 -0.46 0.00 -1.33 0.00 0.00 58.87 55.18 2aas n SER 89 Cb 0.84 -0.53 -0.05 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.34 6.27 -0.11 -3.46 0.15 -0.49 -4.41 113.70 111.99 2aas s SER 90 Ca 0.07 -1.91 -0.04 0.00 0.70 0.00 0.00 55.95 54.76 2aas s SER 90 Cb 0.05 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.21 2aas s SER 90 CO 0.02 -0.82 0.23 -0.75 1.20 0.00 0.00 173.24 173.11 2aas s LYS 91 N 1.41 0.12 0.09 5.44 2.36 -0.51 -4.79 119.74 123.86 2aas s LYS 91 Ca 0.05 0.65 -0.35 0.00 -2.55 0.00 0.00 55.97 53.77 2aas s LYS 91 Cb -0.27 -0.12 -0.14 0.00 -1.05 0.00 0.00 37.83 36.25 2aas s LYS 91 CO 0.01 -0.26 1.56 0.98 1.55 0.00 0.00 175.35 179.19 2aas n TYR 92 N 5.09 2.08 0.46 4.03 9.36 -1.26 -0.28 117.16 136.64 2aas n TYR 92 Ca -0.10 0.34 0.12 0.00 3.32 0.00 0.00 57.90 61.58 2aas n TYR 92 Cb 0.50 -2.50 0.25 0.00 -0.63 0.00 0.00 39.34 36.96 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 6.06 0.00 -4.59 2.98 0.13 -1.97 -3.49 132.00 131.12 2aas h PRO 93 Ca -0.46 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.94 2aas h PRO 93 Cb 1.28 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 2aas h PRO 93 CO 0.87 0.00 1.99 0.27 -0.23 0.00 0.00 178.00 180.91 2aas n ASN 94 N -2.48 4.92 -4.66 1.44 6.94 0.62 -4.95 115.26 117.10 2aas n ASN 94 Ca 0.04 -2.98 -0.43 0.00 -0.02 0.00 0.00 54.58 51.20 2aas n ASN 94 Cb 0.47 -1.60 -0.02 0.00 -2.36 0.00 0.00 39.78 36.26 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s ALA 96 N 3.82 2.39 0.01 0.00 0.00 -1.26 -4.81 121.76 121.90 2aas s ALA 96 Ca 0.61 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.59 2aas s ALA 96 Cb -0.24 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2aas s ALA 96 CO 0.20 0.01 -0.21 0.71 0.00 0.00 0.00 175.76 176.47 2aas s TYR 97 N 0.75 1.84 -0.43 0.00 1.51 -1.26 -0.86 117.35 118.89 2aas s TYR 97 Ca -0.07 -0.36 -0.21 0.00 -1.01 0.00 0.00 57.07 55.42 2aas s TYR 97 Cb -0.16 -1.15 0.02 0.00 -0.11 0.00 0.00 41.96 40.57 2aas s TYR 97 CO 0.00 0.02 0.66 0.21 -1.11 0.00 0.00 175.55 175.33 2aas s LYS 98 N -0.76 3.32 -0.18 -0.62 2.20 0.16 -4.62 119.74 119.25 2aas s LYS 98 Ca 0.08 -0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 55.26 2aas s LYS 98 Cb -0.08 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.25 2aas s LYS 98 CO 0.00 -1.01 0.20 0.99 -0.36 0.00 0.00 175.35 175.18 2aas s THR 99 N 2.88 5.36 -0.14 3.43 2.01 -1.06 -1.59 115.64 126.52 2aas s THR 99 Ca 0.24 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.61 2aas s THR 99 Cb -0.14 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.84 2aas s THR 99 CO 0.19 0.42 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.44 2aas s THR 100 N 0.40 1.97 -0.35 -0.82 2.01 -0.17 -4.79 115.64 113.89 2aas s THR 100 Ca 0.12 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 61.07 2aas s THR 100 Cb -0.12 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 2aas s THR 100 CO 0.01 0.53 0.26 -1.58 -0.69 0.00 0.00 174.62 173.14 2aas s GLN 101 N 0.92 3.41 0.01 4.92 2.00 -1.26 -1.07 119.66 128.58 2aas s GLN 101 Ca -0.05 -0.70 0.01 0.00 -2.00 0.00 0.00 55.36 52.62 2aas s GLN 101 Cb -0.15 -3.84 -0.01 0.00 0.80 0.00 0.00 33.01 29.81 2aas s GLN 101 CO -0.03 -0.50 -0.05 0.00 -0.50 0.00 0.00 175.29 174.20 2aas s ALA 102 N 1.73 0.40 -0.57 1.58 0.00 0.22 -5.02 121.76 120.09 2aas s ALA 102 Ca 0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 2aas s ALA 102 Cb -0.18 -0.03 0.15 0.00 0.00 0.00 0.00 23.12 23.07 2aas s ALA 102 CO 0.10 0.03 0.42 -0.80 0.00 0.00 0.00 175.76 175.51 2aas s ASN 103 N -0.69 5.59 0.18 0.00 -0.87 -1.26 -0.37 114.94 117.53 2aas s ASN 103 Ca -0.04 -2.41 0.06 0.00 -1.57 0.00 0.00 52.86 48.90 2aas s ASN 103 Cb -0.05 -1.95 -0.05 0.00 -0.02 0.00 0.00 41.25 39.19 2aas s ASN 103 CO -0.00 -0.53 -0.11 -0.54 -2.57 0.00 0.00 177.10 173.36 2aas s LYS 104 N 0.60 1.20 0.40 -0.60 -0.14 -1.04 -4.77 119.74 115.39 2aas s LYS 104 Ca 0.12 -1.53 -0.25 0.00 -1.36 0.00 0.00 55.97 52.95 2aas s LYS 104 Cb -0.21 -0.82 -0.09 0.00 -1.68 0.00 0.00 37.83 35.03 2aas s LYS 104 CO -0.03 0.10 1.10 -1.01 -0.76 0.00 0.00 175.35 174.75 2aas s HIS 105 N -3.19 3.18 0.08 3.18 3.76 -1.26 -1.02 115.29 120.01 2aas s HIS 105 Ca 0.20 1.61 0.07 0.00 -0.15 0.00 0.00 55.06 56.79 2aas s HIS 105 Cb 0.02 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.42 2aas s HIS 105 CO 0.04 -0.95 -0.15 0.96 -0.85 0.00 0.00 174.74 173.79 2aas s ILE 106 N -1.53 3.01 -0.22 0.60 -4.36 -1.26 0.02 121.20 117.46 2aas s ILE 106 Ca 0.57 -1.27 -0.02 0.00 -0.26 0.00 0.00 60.65 59.67 2aas s ILE 106 Cb -0.26 -2.34 0.01 0.00 1.25 0.00 0.00 42.46 41.11 2aas s ILE 106 CO 0.33 0.22 -0.08 -0.63 0.24 0.00 0.00 174.94 175.02 2aas s ILE 107 N -1.06 3.00 -0.01 8.37 1.09 0.11 -2.02 121.20 130.68 2aas s ILE 107 Ca 0.17 -0.71 0.05 0.00 -1.10 0.00 0.00 60.65 59.07 2aas s ILE 107 Cb -0.11 -2.39 -0.03 0.00 -1.06 0.00 0.00 42.46 38.88 2aas s ILE 107 CO 0.09 0.39 -0.16 0.68 -0.10 0.00 0.00 174.94 175.84 2aas s VAL 108 N 1.41 2.89 -0.22 2.92 -7.23 -0.42 -1.24 120.40 118.50 2aas s VAL 108 Ca 0.04 -0.94 -0.22 0.00 -1.81 0.00 0.00 61.98 59.05 2aas s VAL 108 Cb -0.15 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 2aas s VAL 108 CO -0.06 0.48 0.72 0.00 -0.31 0.00 0.00 175.10 175.93 2aas s ALA 109 N -0.81 3.59 0.13 1.32 0.00 0.57 -0.67 121.76 125.88 2aas s ALA 109 Ca 0.13 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 51.96 2aas s ALA 109 Cb -0.11 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2aas s ALA 109 CO 0.03 -0.74 -0.24 0.00 0.00 0.00 0.00 175.76 174.81 2aas s GLU 111 N -2.14 0.81 0.00 0.00 -1.05 -0.45 -4.84 118.70 111.02 2aas s GLU 111 Ca 0.13 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 2aas s GLU 111 Cb -0.09 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 2aas s GLU 111 CO 0.06 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.31 2aas n GLY 112 N -0.55 -3.27 2.70 -3.83 0.00 -1.26 -1.37 105.19 97.61 2aas n GLY 112 Ca -0.06 -2.11 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.46 1.70 0.52 1.61 2.47 -1.26 -3.30 114.94 115.22 2aas s ASN 113 Ca 0.00 -0.35 -0.19 0.00 0.42 0.00 0.00 52.86 52.73 2aas s ASN 113 Cb 0.00 0.17 -0.07 0.00 -1.45 0.00 0.00 41.25 39.90 2aas s ASN 113 CO 0.00 -0.33 1.06 -2.16 -3.72 0.00 0.00 177.10 171.94 2aas s PRO 114 N 2.26 3.62 -0.16 0.43 0.04 -1.26 -5.05 135.00 134.88 2aas s PRO 114 Ca 0.05 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 2aas s PRO 114 Cb -0.16 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 2aas s PRO 114 CO -0.11 -0.58 2.12 -0.47 0.04 0.00 0.00 177.00 177.99 2aas s TYR 115 N -2.03 1.26 -0.03 0.56 5.04 -1.21 -4.95 117.35 115.99 2aas s TYR 115 Ca 0.68 0.31 0.06 0.00 -2.44 0.00 0.00 57.07 55.67 2aas s TYR 115 Cb -0.18 -4.02 -0.01 0.00 0.35 0.00 0.00 41.96 38.11 2aas s TYR 115 CO 0.24 -4.34 -0.21 0.14 -1.34 0.00 0.00 175.55 170.04 2aas s VAL 116 N 7.21 1.67 0.05 3.14 -7.23 -0.47 -4.85 120.40 119.92 2aas s VAL 116 Ca 0.96 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 59.94 2aas s VAL 116 Cb -0.34 -1.40 -0.08 0.00 0.56 0.00 0.00 36.38 35.12 2aas s VAL 116 CO 0.36 0.47 1.64 -2.16 -0.31 0.00 0.00 175.10 175.11 2aas s PRO 117 N -0.33 4.20 -0.03 4.82 0.04 -1.26 -1.35 135.00 141.10 2aas s PRO 117 Ca 0.04 2.29 0.06 0.00 0.04 0.00 0.00 61.00 63.43 2aas s PRO 117 Cb -0.10 -3.67 -0.10 0.00 0.04 0.00 0.00 34.50 30.68 2aas s PRO 117 CO 0.01 -0.74 0.11 1.33 0.04 0.00 0.00 177.00 177.74 2aas n VAL 118 N 4.85 0.14 -3.79 -0.36 0.24 0.59 -4.53 118.33 115.47 2aas n VAL 118 Ca 0.16 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 2aas n VAL 118 Cb 0.41 -0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 2aas n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2aas s HIS 119 N -2.37 -0.22 -0.15 6.34 5.65 -1.05 -3.66 115.29 119.82 2aas s HIS 119 Ca -0.03 0.51 -0.06 0.00 0.25 0.00 0.00 55.06 55.73 2aas s HIS 119 Cb 0.04 0.08 -0.04 0.00 -1.18 0.00 0.00 32.58 31.48 2aas s HIS 119 CO 0.28 -0.20 0.04 0.12 -0.65 0.00 0.00 174.74 174.32 2aas s PHE 120 N -0.34 3.22 0.00 3.88 2.19 -1.26 -0.32 117.98 125.35 2aas s PHE 120 Ca -0.05 0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.27 2aas s PHE 120 Cb -0.03 -1.99 0.00 0.00 -1.31 0.00 0.00 43.02 39.69 2aas s PHE 120 CO 0.01 0.22 0.00 -3.47 1.83 0.00 0.00 175.22 173.82 2aas n ASP 121 N 3.15 0.00 -3.75 6.13 2.03 -0.38 -4.96 116.55 118.78 2aas n ASP 121 Ca -0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.00 2aas n ASP 121 Cb 0.53 -0.27 -0.08 0.00 -0.72 0.00 0.00 41.12 40.57 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 -2.95 -0.83 -0.19 -1.67 0.00 -1.16 -5.01 121.76 109.94 2aas s ALA 122 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 2aas s ALA 122 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2aas s ALA 122 CO 0.00 -0.29 0.06 -1.12 0.00 0.00 0.00 175.76 174.41 2aas s SER 123 N -1.42 5.48 0.00 0.00 0.01 -1.26 0.09 113.70 116.60 2aas s SER 123 Ca -0.12 0.01 0.08 0.00 1.31 0.00 0.00 55.95 57.22 2aas s SER 123 Cb -0.04 -1.94 0.06 0.00 0.21 0.00 0.00 66.02 64.31 2aas s SER 123 CO 0.04 0.13 0.75 1.33 0.41 0.00 0.00 173.24 175.90