#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 3.23 0.60 -1.58 2.12 -1.26 -4.95 118.70 116.86 2aas s GLU 2 Ca 0.00 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.26 2aas s GLU 2 Cb 0.00 -4.42 0.05 0.00 0.26 0.00 0.00 34.13 30.02 2aas s GLU 2 CO 0.00 -1.81 0.84 0.95 -0.54 0.00 0.00 175.26 174.70 2aas s THR 3 N 3.73 2.53 0.29 -1.70 -4.23 -1.26 -4.98 115.64 110.02 2aas s THR 3 Ca 0.25 -0.62 0.04 0.00 -1.18 0.00 0.00 61.69 60.18 2aas s THR 3 Cb -0.14 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.07 2aas s THR 3 CO 0.05 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.85 2aas h ALA 4 N -0.10 1.48 -0.82 3.99 0.00 -1.94 -0.36 119.26 121.51 2aas h ALA 4 Ca -0.41 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2aas h ALA 4 Cb 1.29 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2aas h ALA 4 CO 0.51 -0.24 0.43 0.00 0.00 0.00 0.00 179.25 179.94 2aas h ALA 5 N 1.67 1.05 -0.71 0.00 0.00 -1.78 -2.04 119.26 117.44 2aas h ALA 5 Ca 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2aas h ALA 5 Cb 0.98 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2aas h ALA 5 CO -0.47 0.58 0.32 0.00 0.00 0.00 0.00 179.25 179.68 2aas h ALA 6 N 1.23 1.22 -0.49 0.00 0.00 -1.40 -1.21 119.26 118.59 2aas h ALA 6 Ca 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2aas h ALA 6 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2aas h ALA 6 CO -0.04 0.59 0.21 0.87 0.00 0.00 0.00 179.25 180.88 2aas h LYS 7 N 1.02 0.72 -0.31 0.00 1.57 -0.83 -0.20 116.57 118.54 2aas h LYS 7 Ca 0.24 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 2aas h LYS 7 Cb 0.14 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 2aas h LYS 7 CO -0.03 0.63 -0.17 0.35 -0.57 0.00 0.00 179.45 179.66 2aas h PHE 8 N 0.65 -0.43 -0.25 -1.35 3.57 -0.85 0.40 116.94 118.69 2aas h PHE 8 Ca 0.17 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.76 2aas h PHE 8 Cb 0.16 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 2aas h PHE 8 CO -0.00 -0.25 -0.10 0.93 -2.23 0.00 0.00 178.31 176.66 2aas h GLU 9 N -0.13 -0.05 0.80 1.11 5.08 -0.86 0.18 114.58 120.71 2aas h GLU 9 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2aas h GLU 9 Cb 0.38 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2aas h GLU 9 CO -0.39 -0.04 -0.40 -0.09 -1.00 0.00 0.00 179.01 177.09 2aas h ARG 10 N -0.06 -1.06 -0.38 2.33 2.43 -0.63 0.32 114.38 117.33 2aas h ARG 10 Ca 0.13 0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2aas h ARG 10 Cb 0.25 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2aas h ARG 10 CO -0.29 -0.71 -0.03 1.96 -1.51 0.00 0.00 179.97 179.40 2aas h GLN 11 N -1.10 0.60 0.00 0.20 4.20 -0.89 -3.40 115.11 114.72 2aas h GLN 11 Ca -0.11 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 2aas h GLN 11 Cb 0.85 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2aas h GLN 11 CO 0.17 0.65 -1.24 0.72 -0.67 0.00 0.00 178.83 178.46 2aas n HIS 12 N -4.24 0.00 -2.51 2.96 8.25 0.62 -4.29 115.22 116.00 2aas n HIS 12 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 2aas n HIS 12 Cb 0.28 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.08 4.29 -0.30 -0.41 -1.94 0.09 0.58 119.30 119.52 2aas s MET 13 Ca -0.06 1.57 0.12 0.00 -1.71 0.00 0.00 55.69 55.62 2aas s MET 13 Cb 0.02 -3.66 0.47 0.00 2.01 0.00 0.00 34.83 33.67 2aas s MET 13 CO 0.09 -0.58 1.13 -0.25 -0.01 0.00 0.00 175.02 175.40 2aas n ASP 14 N 6.00 3.61 0.12 3.03 9.92 -0.38 -4.90 116.55 133.94 2aas n ASP 14 Ca 0.12 -3.15 0.13 0.00 -0.53 0.00 0.00 54.79 51.37 2aas n ASP 14 Cb 0.46 -0.41 0.64 0.00 -0.64 0.00 0.00 41.12 41.17 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 2.43 0.04 0.11 -2.24 0.02 -1.74 0.59 113.55 112.77 2aas h SER 15 Ca 0.17 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2aas h SER 15 Cb 1.34 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 2aas h SER 15 CO 0.58 0.03 -0.16 0.77 -1.14 0.00 0.00 176.83 176.91 2aas h SER 16 N 0.05 0.10 -3.98 3.07 4.64 -1.91 -3.44 113.55 112.08 2aas h SER 16 Ca 0.13 -0.02 -0.69 0.00 -0.47 0.00 0.00 61.79 60.75 2aas h SER 16 Cb 0.47 -0.03 -0.22 0.00 -0.31 0.00 0.00 62.40 62.31 2aas h SER 16 CO -0.01 0.27 -0.78 0.42 -0.87 0.00 0.00 176.83 175.86 2aas s THR 17 N -4.68 3.03 -0.18 2.95 -4.23 0.20 -5.04 115.64 107.68 2aas s THR 17 Ca -0.05 -0.87 0.19 0.00 -1.18 0.00 0.00 61.69 59.78 2aas s THR 17 Cb 0.16 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 2aas s THR 17 CO 0.71 0.49 1.05 0.77 -0.54 0.00 0.00 174.62 177.11 2aas h SER 18 N 5.01 0.00 -4.69 3.99 4.64 -1.85 -3.42 113.55 117.23 2aas h SER 18 Ca -0.47 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.90 2aas h SER 18 Cb 1.15 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.08 2aas h SER 18 CO 0.50 0.35 0.39 0.00 -0.87 0.00 0.00 176.83 177.20 2aas s ALA 19 N -3.08 -1.78 -0.66 5.18 0.00 -1.26 -4.80 121.76 115.35 2aas s ALA 19 Ca -0.00 1.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.74 2aas s ALA 19 Cb 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 2aas s ALA 19 CO 0.78 -0.59 1.81 0.00 0.00 0.00 0.00 175.76 177.77 2aas s ALA 20 N -2.59 2.18 -0.51 0.00 0.00 -1.26 -4.88 121.76 114.69 2aas s ALA 20 Ca 0.00 -0.84 0.18 0.00 0.00 0.00 0.00 51.96 51.30 2aas s ALA 20 Cb -0.01 -4.33 0.85 0.00 0.00 0.00 0.00 23.12 19.63 2aas s ALA 20 CO -0.05 -3.94 1.54 -1.13 0.00 0.00 0.00 175.76 172.18 2aas n SER 21 N 12.52 0.43 -3.68 0.00 3.41 -1.26 -4.81 113.62 120.23 2aas n SER 21 Ca 0.21 0.66 -0.11 0.00 -0.26 0.00 0.00 58.87 59.37 2aas n SER 21 Cb 0.51 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.68 2aas n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2aas s SER 22 N -3.80 -0.17 0.64 4.04 1.04 -1.26 -5.03 113.70 109.16 2aas s SER 22 Ca 0.01 -0.32 0.26 0.00 0.48 0.00 0.00 55.95 56.38 2aas s SER 22 Cb 0.06 0.44 1.37 0.00 0.10 0.00 0.00 66.02 67.98 2aas s SER 22 CO 0.23 -0.79 1.78 0.77 0.98 0.00 0.00 173.24 176.21 2aas h SER 23 N 2.58 0.00 0.00 7.02 4.64 -1.87 -1.64 113.55 124.28 2aas h SER 23 Ca -0.33 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2aas h SER 23 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2aas h SER 23 CO 0.48 0.00 -0.18 0.59 -0.87 0.00 0.00 176.83 176.85 2aas n ASN 24 N -3.10 1.72 -0.19 4.97 4.13 -1.26 -2.32 115.26 119.20 2aas n ASN 24 Ca 0.02 -2.86 0.00 0.00 1.68 0.00 0.00 54.58 53.42 2aas n ASN 24 Cb 0.59 -0.38 0.09 0.00 -1.54 0.00 0.00 39.78 38.54 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 0.09 -0.01 -0.65 3.10 3.20 -1.65 -1.78 116.97 119.27 2aas h TYR 25 Ca -0.01 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.03 2aas h TYR 25 Cb 1.12 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 2aas h TYR 25 CO 0.08 -0.14 0.44 0.00 -1.64 0.00 0.00 178.16 176.90 2aas h ASN 27 N 0.35 -0.76 0.05 0.00 4.21 -1.60 0.16 115.58 117.99 2aas h ASN 27 Ca 0.31 0.12 -0.18 0.00 1.21 0.00 0.00 56.30 57.76 2aas h ASN 27 Cb 0.74 0.33 0.02 0.00 -1.12 0.00 0.00 38.32 38.29 2aas h ASN 27 CO -0.08 -0.30 -0.74 -0.61 -1.29 0.00 0.00 177.43 174.41 2aas h GLN 28 N -0.33 0.41 -0.50 0.81 -0.00 -1.67 -3.33 115.11 110.50 2aas h GLN 28 Ca 0.09 -0.51 -0.00 0.00 -0.00 0.00 0.00 58.65 58.23 2aas h GLN 28 Cb 0.46 0.16 -0.02 0.00 0.00 0.00 0.00 27.48 28.08 2aas h GLN 28 CO -0.29 1.18 0.30 1.98 0.00 0.00 0.00 178.83 182.00 2aas h MET 29 N -0.12 0.68 -0.96 1.69 4.05 -1.01 -1.78 114.93 117.48 2aas h MET 29 Ca -0.11 -0.06 0.11 0.00 -0.28 0.00 0.00 59.70 59.36 2aas h MET 29 Cb 1.48 -0.14 -0.08 0.00 -0.80 0.00 0.00 31.60 32.06 2aas h MET 29 CO 0.14 0.50 0.61 0.52 0.23 0.00 0.00 176.91 178.92 2aas h MET 30 N 0.67 0.93 -0.09 0.39 2.86 -0.85 -2.57 114.93 116.28 2aas h MET 30 Ca 0.18 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2aas h MET 30 Cb -0.01 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 2aas h MET 30 CO -0.03 0.62 0.00 0.87 1.06 0.00 0.00 176.91 179.43 2aas h LYS 31 N 0.96 0.15 -0.82 1.72 1.79 -1.46 -3.00 116.57 115.91 2aas h LYS 31 Ca 0.46 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.95 2aas h LYS 31 Cb 0.45 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 2aas h LYS 31 CO -0.22 0.40 0.49 0.77 -1.08 0.00 0.00 179.45 179.81 2aas h SER 32 N -0.11 0.76 -0.00 0.86 0.02 -0.98 -0.79 113.55 113.30 2aas h SER 32 Ca 0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2aas h SER 32 Cb 0.33 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2aas h SER 32 CO 0.00 0.47 0.00 0.54 -1.14 0.00 0.00 176.83 176.71 2aas n ARG 33 N -4.67 1.02 0.00 3.45 3.00 -1.06 -4.88 116.66 113.51 2aas n ARG 33 Ca 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 2aas n ARG 33 Cb 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.24 2aas n ARG 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2aas n ASN 34 N -0.08 0.00 -0.33 0.55 4.13 -0.30 -4.77 115.26 114.45 2aas n ASN 34 Ca 0.00 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.38 2aas n ASN 34 Cb 0.21 -0.62 0.30 0.00 -1.54 0.00 0.00 39.78 38.13 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2aas h LEU 35 N 0.00 0.63 -1.99 3.41 3.38 -1.72 -1.83 115.31 117.20 2aas h LEU 35 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2aas h LEU 35 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2aas h LEU 35 CO 0.00 0.20 0.00 0.35 0.09 0.00 0.00 178.44 179.08 2aas n THR 36 N -4.85 0.07 1.53 0.22 -2.24 -1.24 -4.42 114.28 103.35 2aas n THR 36 Ca 0.22 -0.54 0.03 0.00 -2.27 0.00 0.00 64.05 61.49 2aas n THR 36 Cb 0.56 1.43 0.17 0.00 -2.10 0.00 0.00 70.33 70.39 2aas n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2aas n LYS 37 N 1.37 0.76 0.06 -0.78 5.02 -0.69 -3.28 118.16 120.63 2aas n LYS 37 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2aas n LYS 37 Cb 0.60 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 2aas n LYS 37 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2aas n ASP 38 N -0.62 0.88 -3.94 4.39 8.00 -1.26 -5.09 116.55 118.92 2aas n ASP 38 Ca 0.04 0.19 -0.09 0.00 0.71 0.00 0.00 54.79 55.64 2aas n ASP 38 Cb 0.02 -0.21 -0.09 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.00 0.57 -0.40 -1.24 1.04 -1.21 -5.04 118.95 110.67 2aas s ARG 39 Ca 0.00 -0.75 -0.28 0.00 -1.04 0.00 0.00 55.73 53.66 2aas s ARG 39 Cb 0.00 0.22 -0.01 0.00 -2.04 0.00 0.00 34.95 33.12 2aas s ARG 39 CO 0.00 -0.14 1.69 0.00 -0.04 0.00 0.00 175.30 176.81 2aas s LYS 41 N 5.64 4.21 0.19 0.00 2.20 -1.26 -4.94 119.74 125.78 2aas s LYS 41 Ca 0.72 2.13 -0.12 0.00 -0.36 0.00 0.00 55.97 58.34 2aas s LYS 41 Cb -0.18 -3.81 0.22 0.00 -1.51 0.00 0.00 37.83 32.56 2aas s LYS 41 CO 0.31 -0.76 1.70 -1.35 -0.36 0.00 0.00 175.35 174.90 2aas h PRO 42 N 8.84 0.20 -3.02 4.03 0.11 -1.93 -3.43 132.00 136.79 2aas h PRO 42 Ca -0.39 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.52 2aas h PRO 42 Cb 1.18 -0.04 -0.29 0.00 0.11 0.00 0.00 31.00 31.95 2aas h PRO 42 CO 0.94 0.13 -0.47 0.54 -0.21 0.00 0.00 178.00 178.93 2aas s VAL 43 N -6.14 -0.03 -0.00 3.15 0.11 -1.26 -0.68 120.40 115.54 2aas s VAL 43 Ca -0.13 0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 58.85 2aas s VAL 43 Cb 0.16 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.66 2aas s VAL 43 CO 0.73 0.05 0.43 0.21 -3.33 0.00 0.00 175.10 173.19 2aas s ASN 44 N 1.11 -0.33 -0.15 3.54 2.47 -0.64 -5.05 114.94 115.89 2aas s ASN 44 Ca -0.08 0.21 0.02 0.00 0.42 0.00 0.00 52.86 53.43 2aas s ASN 44 Cb -0.09 0.40 0.01 0.00 -1.45 0.00 0.00 41.25 40.12 2aas s ASN 44 CO -0.07 -0.55 -0.20 -0.89 -3.72 0.00 0.00 177.10 171.66 2aas s THR 45 N -1.65 1.94 0.23 -5.21 2.01 -1.26 0.15 115.64 111.84 2aas s THR 45 Ca -0.10 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 60.86 2aas s THR 45 Cb -0.03 -1.74 -0.08 0.00 0.01 0.00 0.00 72.50 70.67 2aas s THR 45 CO 0.04 0.52 0.62 -0.36 -0.69 0.00 0.00 174.62 174.75 2aas s PHE 46 N 1.01 3.49 -0.22 4.92 0.08 0.73 -4.27 117.98 123.72 2aas s PHE 46 Ca -0.03 1.09 0.02 0.00 0.12 0.00 0.00 56.93 58.13 2aas s PHE 46 Cb -0.15 -2.42 0.04 0.00 -0.57 0.00 0.00 43.02 39.93 2aas s PHE 46 CO -0.05 0.28 -0.15 0.08 -0.10 0.00 0.00 175.22 175.27 2aas s VAL 47 N -1.72 2.08 -1.03 -0.44 1.01 0.20 0.60 120.40 121.10 2aas s VAL 47 Ca 0.46 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 2aas s VAL 47 Cb -0.13 -2.03 0.15 0.00 0.00 0.00 0.00 36.38 34.37 2aas s VAL 47 CO 0.20 0.27 2.38 1.41 0.00 0.00 0.00 175.10 179.36 2aas n HIS 48 N 4.54 2.38 -4.06 5.22 8.25 0.24 -1.25 115.22 130.54 2aas n HIS 48 Ca -0.18 -2.53 -0.08 0.00 -0.26 0.00 0.00 57.72 54.68 2aas n HIS 48 Cb 0.46 -1.59 -0.10 0.00 1.12 0.00 0.00 29.99 29.88 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 -1.94 0.53 0.70 -0.41 0.41 -1.26 -4.57 118.70 112.16 2aas s GLU 49 Ca 0.53 -1.02 -0.16 0.00 -0.41 0.00 0.00 54.97 53.91 2aas s GLU 49 Cb 0.25 0.12 0.02 0.00 -1.78 0.00 0.00 34.13 32.74 2aas s GLU 49 CO -0.15 -0.08 1.27 -1.54 -0.49 0.00 0.00 175.26 174.27 2aas s SER 50 N -2.42 4.23 0.16 -0.19 1.04 -1.26 -3.74 113.70 111.51 2aas s SER 50 Ca -0.00 2.55 -0.16 0.00 0.48 0.00 0.00 55.95 58.81 2aas s SER 50 Cb 0.01 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.57 2aas s SER 50 CO -0.06 -2.25 1.79 0.25 0.98 0.00 0.00 173.24 173.95 2aas h LEU 51 N 0.04 0.37 -0.73 2.42 5.85 -1.99 -2.31 115.31 118.96 2aas h LEU 51 Ca -0.49 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.38 2aas h LEU 51 Cb 1.32 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 2aas h LEU 51 CO 0.51 0.26 0.20 0.00 -0.34 0.00 0.00 178.44 179.07 2aas h ALA 52 N 1.18 0.95 -0.24 1.25 0.00 -1.99 0.32 119.26 120.74 2aas h ALA 52 Ca 0.16 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2aas h ALA 52 Cb 0.02 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2aas h ALA 52 CO -0.08 -0.31 -0.22 0.22 0.00 0.00 0.00 179.25 178.86 2aas h ASP 53 N 0.31 0.44 0.72 0.00 3.58 -1.82 -2.58 116.42 117.07 2aas h ASP 53 Ca 0.41 -0.14 -0.26 0.00 0.42 0.00 0.00 57.03 57.46 2aas h ASP 53 Cb 0.67 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2aas h ASP 53 CO -0.47 0.67 -1.24 0.58 -2.88 0.00 0.00 179.24 175.89 2aas h VAL 54 N 0.40 1.47 -0.68 2.25 2.07 -0.65 -3.18 116.25 117.93 2aas h VAL 54 Ca 0.06 -3.12 0.16 0.00 0.82 0.00 0.00 66.70 64.62 2aas h VAL 54 Cb 0.61 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 2aas h VAL 54 CO 0.04 0.88 0.47 1.56 0.02 0.00 0.00 177.57 180.54 2aas h GLN 55 N 0.04 0.22 0.00 1.57 4.20 -0.21 0.03 115.11 120.96 2aas h GLN 55 Ca -0.12 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 2aas h GLN 55 Cb 1.91 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.64 2aas h GLN 55 CO 0.16 0.14 -0.01 0.00 -0.67 0.00 0.00 178.83 178.46 2aas h ALA 56 N 1.67 1.11 0.00 3.87 0.00 -1.44 -1.61 119.26 122.87 2aas h ALA 56 Ca 0.33 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 2aas h ALA 56 Cb 0.98 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2aas h ALA 56 CO -0.07 0.01 -0.81 0.28 0.00 0.00 0.00 179.25 178.67 2aas h VAL 57 N 0.00 1.57 0.00 0.00 2.07 -1.12 -3.22 116.25 115.55 2aas h VAL 57 Ca -0.00 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.79 2aas h VAL 57 Cb 0.07 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2aas h VAL 57 CO 0.00 0.78 0.00 0.00 0.02 0.00 0.00 177.57 178.37 2aas n SER 59 N -2.73 2.65 0.00 0.00 7.64 -1.21 -4.91 113.62 115.05 2aas n SER 59 Ca -0.02 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.37 2aas n SER 59 Cb 0.07 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 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 -1.04 0.00 -3.93 1.43 6.02 -0.69 -5.04 117.38 114.13 2aas n GLN 60 Ca 0.25 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.88 2aas n GLN 60 Cb 0.87 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 32.00 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 0.63 3.53 0.01 -1.09 2.20 -0.36 -4.98 119.74 119.67 2aas s LYS 61 Ca 0.00 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 2aas s LYS 61 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2aas s LYS 61 CO 0.00 -0.12 0.92 1.21 -0.36 0.00 0.00 175.35 177.00 2aas s ASN 62 N 1.34 7.32 0.18 1.43 3.84 -1.26 0.01 114.94 127.79 2aas s ASN 62 Ca 0.04 1.59 0.01 0.00 0.21 0.00 0.00 52.86 54.71 2aas s ASN 62 Cb -0.15 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 37.97 2aas s ASN 62 CO 0.00 -0.19 0.04 0.68 -2.79 0.00 0.00 177.10 174.85 2aas s VAL 63 N 0.76 0.45 -0.03 -5.21 -7.23 0.65 -4.93 120.40 104.85 2aas s VAL 63 Ca 0.48 -1.97 -0.17 0.00 -1.81 0.00 0.00 61.98 58.51 2aas s VAL 63 Cb -0.21 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 2aas s VAL 63 CO 0.26 -0.36 0.48 0.00 -0.31 0.00 0.00 175.10 175.17 2aas s ALA 64 N -3.82 3.58 0.66 1.32 0.00 -1.26 -2.23 121.76 120.00 2aas s ALA 64 Ca 0.27 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.94 2aas s ALA 64 Cb 0.07 -2.55 -0.00 0.00 0.00 0.00 0.00 23.12 20.63 2aas s ALA 64 CO 0.06 0.27 1.11 0.00 0.00 0.00 0.00 175.76 177.19 2aas h LYS 66 N 0.05 0.17 0.00 0.00 1.63 -1.96 0.13 116.57 116.59 2aas h LYS 66 Ca -0.47 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.32 2aas h LYS 66 Cb 1.24 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2aas h LYS 66 CO 0.54 0.11 -0.03 -2.95 -3.45 0.00 0.00 179.45 173.67 2aas h ASN 67 N 0.17 0.00 0.00 4.20 -1.07 -2.04 -3.47 115.58 113.37 2aas h ASN 67 Ca 0.79 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.16 2aas h ASN 67 Cb 2.01 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.26 2aas h ASN 67 CO -0.64 0.03 0.00 0.61 0.07 0.00 0.00 177.43 177.49 2aas n GLY 68 N 0.95 1.18 3.74 9.14 0.00 0.45 -5.11 105.19 115.54 2aas n GLY 68 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2aas n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aas s GLN 69 N -0.13 4.33 0.00 1.61 -0.21 -1.25 -4.71 119.66 119.31 2aas s GLN 69 Ca 0.00 2.17 0.31 0.00 0.02 0.00 0.00 55.36 57.87 2aas s GLN 69 Cb 0.00 -3.15 1.78 0.00 1.00 0.00 0.00 33.01 32.63 2aas s GLN 69 CO 0.00 -0.34 2.17 0.25 -2.12 0.00 0.00 175.29 175.25 2aas n THR 70 N 2.52 0.00 -1.56 -0.19 -2.24 -1.26 0.13 114.28 111.68 2aas n THR 70 Ca 0.07 -0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 2aas n THR 70 Cb 0.41 -0.50 0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.10 7.31 -4.51 3.42 6.94 -1.26 -4.55 115.26 121.51 2aas n ASN 71 Ca 0.21 -3.79 -0.30 0.00 -0.02 0.00 0.00 54.58 50.68 2aas n ASN 71 Cb 0.16 -0.92 -0.11 0.00 -2.36 0.00 0.00 39.78 36.55 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 -1.15 -0.02 -0.03 0.00 2.02 0.32 -0.25 117.35 118.23 2aas s TYR 73 Ca 0.19 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.98 2aas s TYR 73 Cb -0.11 -0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.41 2aas s TYR 73 CO 0.11 -0.08 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.77 2aas s GLN 74 N -0.31 2.57 0.56 -0.62 0.74 0.10 -1.22 119.66 121.48 2aas s GLN 74 Ca -0.04 -0.68 -0.17 0.00 0.05 0.00 0.00 55.36 54.53 2aas s GLN 74 Cb -0.03 -2.48 -0.05 0.00 1.10 0.00 0.00 33.01 31.56 2aas s GLN 74 CO 0.00 0.62 1.05 -1.54 -0.55 0.00 0.00 175.29 174.87 2aas s SER 75 N -1.04 5.99 0.23 6.67 1.04 -0.93 -1.23 113.70 124.43 2aas s SER 75 Ca 0.14 1.81 0.25 0.00 0.48 0.00 0.00 55.95 58.62 2aas s SER 75 Cb -0.11 -2.53 0.89 0.00 0.10 0.00 0.00 66.02 64.37 2aas s SER 75 CO 0.04 -1.03 1.75 -1.22 0.98 0.00 0.00 173.24 173.76 2aas n TYR 76 N -1.79 0.88 -3.85 5.02 4.01 -1.26 -4.72 117.16 115.45 2aas n TYR 76 Ca 0.09 0.30 -0.05 0.00 -0.16 0.00 0.00 57.90 58.07 2aas n TYR 76 Cb 0.53 -0.98 -0.02 0.00 -0.31 0.00 0.00 39.34 38.57 2aas n TYR 76 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2aas n SER 77 N -2.26 -0.37 -4.84 7.72 3.41 -1.26 -5.10 113.62 110.92 2aas n SER 77 Ca 0.04 -1.65 -0.37 0.00 -0.26 0.00 0.00 58.87 56.64 2aas n SER 77 Cb 0.34 0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 64.96 2aas n SER 77 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2aas s THR 78 N -2.52 4.96 0.17 6.66 -4.23 -1.26 -4.41 115.64 115.02 2aas s THR 78 Ca 0.11 0.80 0.08 0.00 -1.18 0.00 0.00 61.69 61.50 2aas s THR 78 Cb -0.00 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 2aas s THR 78 CO 0.08 0.43 -0.18 -0.04 -0.54 0.00 0.00 174.62 174.37 2aas s MET 79 N -1.49 1.29 -0.53 3.99 -1.94 0.18 -4.85 119.30 115.95 2aas s MET 79 Ca 0.30 -1.44 -0.28 0.00 -1.71 0.00 0.00 55.69 52.56 2aas s MET 79 Cb -0.16 -1.30 0.02 0.00 2.01 0.00 0.00 34.83 35.40 2aas s MET 79 CO 0.17 0.26 1.25 0.45 -0.01 0.00 0.00 175.02 177.13 2aas s SER 80 N -2.78 6.42 0.05 3.03 0.15 -1.26 -2.11 113.70 117.20 2aas s SER 80 Ca 0.17 0.32 0.09 0.00 0.70 0.00 0.00 55.95 57.23 2aas s SER 80 Cb -0.05 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 2aas s SER 80 CO 0.07 -1.46 -0.24 0.27 1.20 0.00 0.00 173.24 173.07 2aas s ILE 81 N 5.09 2.30 -0.34 6.45 -0.00 0.30 -0.59 121.20 134.42 2aas s ILE 81 Ca 0.48 -1.35 0.01 0.00 -0.00 0.00 0.00 60.65 59.78 2aas s ILE 81 Cb -0.09 -1.92 0.08 0.00 -0.00 0.00 0.00 42.46 40.54 2aas s ILE 81 CO 0.28 0.35 0.06 -0.89 -0.00 0.00 0.00 174.94 174.74 2aas s THR 82 N -0.84 2.72 -0.17 8.37 2.01 0.20 -0.43 115.64 127.50 2aas s THR 82 Ca 0.12 -1.93 -0.29 0.00 0.31 0.00 0.00 61.69 59.91 2aas s THR 82 Cb -0.10 -2.79 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 2aas s THR 82 CO 0.03 -0.42 1.10 -0.62 -0.69 0.00 0.00 174.62 174.02 2aas s ASP 83 N 1.28 7.10 -0.43 3.53 -1.08 -0.03 -0.20 116.67 126.84 2aas s ASP 83 Ca 0.03 1.53 -0.11 0.00 -0.52 0.00 0.00 52.55 53.48 2aas s ASP 83 Cb -0.20 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 38.78 2aas s ASP 83 CO -0.05 -0.63 0.29 0.00 0.52 0.00 0.00 175.17 175.31 2aas s ARG 85 N 1.51 3.11 0.31 0.00 6.06 -0.27 -1.62 118.95 128.04 2aas s ARG 85 Ca 0.03 -0.83 -0.29 0.00 -2.50 0.00 0.00 55.73 52.14 2aas s ARG 85 Cb -0.23 -2.43 -0.13 0.00 0.06 0.00 0.00 34.95 32.23 2aas s ARG 85 CO 0.04 0.10 1.29 -1.91 -2.50 0.00 0.00 175.30 172.32 2aas n GLU 86 N 3.76 2.02 -2.99 5.12 4.07 0.14 -0.05 120.64 132.70 2aas n GLU 86 Ca -0.19 0.71 -0.26 0.00 -0.06 0.00 0.00 57.16 57.36 2aas n GLU 86 Cb 0.52 -2.29 -0.01 0.00 -0.06 0.00 0.00 31.44 29.61 2aas n GLU 86 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2aas s THR 87 N -0.82 5.00 0.51 6.31 -4.23 -0.72 -4.73 115.64 116.96 2aas s THR 87 Ca 0.59 -0.09 0.30 0.00 -1.18 0.00 0.00 61.69 61.30 2aas s THR 87 Cb -0.60 -3.86 0.33 0.00 1.34 0.00 0.00 72.50 69.71 2aas s THR 87 CO 0.59 -0.70 2.18 1.23 -0.54 0.00 0.00 174.62 177.38 2aas h GLY 88 N 0.53 0.00 -2.87 3.99 0.00 -1.96 -2.87 103.07 99.89 2aas h GLY 88 Ca -0.48 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 2aas h GLY 88 CO 0.62 0.00 0.14 -1.14 0.00 0.00 0.00 176.54 176.15 2aas n SER 89 N -3.69 3.90 -4.49 0.19 3.41 -1.26 -4.92 113.62 106.76 2aas n SER 89 Ca -0.02 -2.75 -0.36 0.00 -0.26 0.00 0.00 58.87 55.48 2aas n SER 89 Cb 0.16 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.33 2aas n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2aas s SER 90 N -0.50 5.22 0.23 4.04 0.15 -1.09 -4.68 113.70 117.08 2aas s SER 90 Ca 0.36 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.88 2aas s SER 90 Cb 0.28 -1.92 -0.05 0.00 -1.71 0.00 0.00 66.02 62.62 2aas s SER 90 CO 0.09 0.02 0.08 -0.54 1.20 0.00 0.00 173.24 174.09 2aas s LYS 91 N 1.27 1.32 -0.07 5.44 1.02 -1.12 -4.89 119.74 122.70 2aas s LYS 91 Ca 0.05 -1.69 -0.20 0.00 0.02 0.00 0.00 55.97 54.14 2aas s LYS 91 Cb -0.15 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 36.90 2aas s LYS 91 CO 0.03 -0.26 0.57 -0.47 -0.92 0.00 0.00 175.35 174.30 2aas s TYR 92 N -3.77 3.58 -1.48 3.18 5.04 -1.26 -0.57 117.35 122.07 2aas s TYR 92 Ca 0.34 1.08 0.15 0.00 -2.44 0.00 0.00 57.07 56.20 2aas s TYR 92 Cb 0.07 -2.64 0.53 0.00 0.35 0.00 0.00 41.96 40.28 2aas s TYR 92 CO 0.11 0.20 1.42 -0.35 -1.34 0.00 0.00 175.55 175.59 2aas n PRO 93 N 3.44 2.83 -1.84 4.97 -0.04 -1.26 -5.00 135.00 138.10 2aas n PRO 93 Ca -0.05 -2.11 -0.41 0.00 -0.04 0.00 0.00 63.50 60.89 2aas n PRO 93 Cb 0.51 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2aas n PRO 93 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aas n ASN 94 N 0.91 6.92 -4.61 3.54 6.94 0.26 -4.93 115.26 124.28 2aas n ASN 94 Ca 0.19 -2.93 -0.43 0.00 -0.02 0.00 0.00 54.58 51.39 2aas n ASN 94 Cb 0.63 -1.49 -0.03 0.00 -2.36 0.00 0.00 39.78 36.54 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 6.13 3.13 0.06 0.00 0.00 -1.26 -4.78 121.76 125.05 2aas s ALA 96 Ca 0.75 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.96 2aas s ALA 96 Cb -0.22 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2aas s ALA 96 CO 0.32 0.25 -0.15 0.71 0.00 0.00 0.00 175.76 176.90 2aas s TYR 97 N 0.21 1.26 -0.23 0.00 1.51 -1.26 -1.76 117.35 117.08 2aas s TYR 97 Ca -0.00 -0.43 -0.12 0.00 -1.01 0.00 0.00 57.07 55.51 2aas s TYR 97 Cb -0.13 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.95 2aas s TYR 97 CO 0.02 0.06 0.23 0.21 -1.11 0.00 0.00 175.55 174.96 2aas s LYS 98 N -1.58 4.10 -0.18 -0.62 2.36 0.93 -4.71 119.74 120.05 2aas s LYS 98 Ca -0.00 -0.13 -0.05 0.00 -2.55 0.00 0.00 55.97 53.23 2aas s LYS 98 Cb -0.09 -3.54 -0.03 0.00 -1.05 0.00 0.00 37.83 33.12 2aas s LYS 98 CO 0.02 0.03 -0.00 0.99 1.55 0.00 0.00 175.35 177.94 2aas s THR 99 N 1.14 4.13 -0.20 3.43 2.01 -0.98 -1.12 115.64 124.04 2aas s THR 99 Ca 0.11 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2aas s THR 99 Cb -0.14 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.55 2aas s THR 99 CO 0.05 0.46 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.39 2aas s THR 100 N 0.57 2.26 -0.52 -0.82 2.01 0.17 -4.73 115.64 114.58 2aas s THR 100 Ca -0.01 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 60.80 2aas s THR 100 Cb -0.14 -2.02 0.06 0.00 0.01 0.00 0.00 72.50 70.40 2aas s THR 100 CO 0.02 0.43 0.69 -1.58 -0.69 0.00 0.00 174.62 173.49 2aas s GLN 101 N 1.29 3.16 -0.01 4.92 2.00 -1.26 -0.85 119.66 128.90 2aas s GLN 101 Ca 0.03 -0.77 0.07 0.00 -2.00 0.00 0.00 55.36 52.68 2aas s GLN 101 Cb -0.14 -4.09 -0.02 0.00 0.80 0.00 0.00 33.01 29.56 2aas s GLN 101 CO -0.10 -1.28 -0.22 0.00 -0.50 0.00 0.00 175.29 173.19 2aas s ALA 102 N 2.90 1.82 -0.52 1.58 0.00 0.43 -5.02 121.76 122.94 2aas s ALA 102 Ca 0.18 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2aas s ALA 102 Cb -0.18 -0.45 0.14 0.00 0.00 0.00 0.00 23.12 22.62 2aas s ALA 102 CO 0.13 0.44 0.32 1.21 0.00 0.00 0.00 175.76 177.86 2aas s ASN 103 N -0.57 5.09 0.20 0.00 3.84 -1.26 -0.54 114.94 121.70 2aas s ASN 103 Ca 0.08 -2.58 0.01 0.00 0.21 0.00 0.00 52.86 50.59 2aas s ASN 103 Cb -0.08 -1.80 -0.05 0.00 -0.55 0.00 0.00 41.25 38.77 2aas s ASN 103 CO -0.01 -0.41 0.06 -0.54 -2.79 0.00 0.00 177.10 173.42 2aas s LYS 104 N 0.34 1.21 0.58 0.43 1.02 -0.89 -4.77 119.74 117.65 2aas s LYS 104 Ca 0.14 -1.62 -0.18 0.00 0.02 0.00 0.00 55.97 54.33 2aas s LYS 104 Cb -0.22 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.94 2aas s LYS 104 CO -0.03 -0.25 1.11 -1.01 -0.92 0.00 0.00 175.35 174.24 2aas s HIS 105 N -3.83 2.72 0.07 3.18 3.76 -1.26 -0.65 115.29 119.30 2aas s HIS 105 Ca 0.31 1.55 0.08 0.00 -0.15 0.00 0.00 55.06 56.85 2aas s HIS 105 Cb 0.07 -3.19 -0.03 0.00 1.11 0.00 0.00 32.58 30.54 2aas s HIS 105 CO 0.08 -1.48 -0.21 0.96 -0.85 0.00 0.00 174.74 173.24 2aas s ILE 106 N -2.06 1.74 -0.17 0.60 -4.36 -1.26 0.16 121.20 115.86 2aas s ILE 106 Ca 0.69 -1.38 -0.01 0.00 -0.26 0.00 0.00 60.65 59.69 2aas s ILE 106 Cb -0.21 -1.54 -0.01 0.00 1.25 0.00 0.00 42.46 41.95 2aas s ILE 106 CO 0.32 0.10 -0.11 -0.63 0.24 0.00 0.00 174.94 174.85 2aas s ILE 107 N -0.97 3.00 -0.02 8.37 1.09 -0.04 -2.19 121.20 130.45 2aas s ILE 107 Ca 0.08 -0.65 0.08 0.00 -1.10 0.00 0.00 60.65 59.05 2aas s ILE 107 Cb -0.09 -2.30 -0.02 0.00 -1.06 0.00 0.00 42.46 38.99 2aas s ILE 107 CO 0.03 0.49 -0.26 0.68 -0.10 0.00 0.00 174.94 175.79 2aas s VAL 108 N 0.84 2.04 -0.10 2.92 -7.23 -0.36 -0.81 120.40 117.70 2aas s VAL 108 Ca -0.04 -1.10 -0.25 0.00 -1.81 0.00 0.00 61.98 58.78 2aas s VAL 108 Cb -0.15 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 2aas s VAL 108 CO 0.00 0.58 0.81 0.00 -0.31 0.00 0.00 175.10 176.18 2aas s ALA 109 N -0.55 3.39 0.07 1.32 0.00 0.44 -0.53 121.76 125.91 2aas s ALA 109 Ca 0.08 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.28 2aas s ALA 109 Cb -0.10 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2aas s ALA 109 CO -0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 175.76 175.17 2aas s GLU 111 N -1.55 1.48 0.37 0.00 2.02 -0.41 -4.89 118.70 115.72 2aas s GLU 111 Ca 0.07 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.77 2aas s GLU 111 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 34.13 34.58 2aas s GLU 111 CO 0.03 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.12 2aas n GLY 112 N -0.36 -2.27 2.67 -1.39 0.00 -1.26 -0.22 105.19 102.37 2aas n GLY 112 Ca -0.01 -1.53 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.71 1.63 0.46 1.61 2.47 -1.26 -3.21 114.94 113.93 2aas s ASN 113 Ca 0.00 -0.18 -0.22 0.00 0.42 0.00 0.00 52.86 52.88 2aas s ASN 113 Cb 0.00 -0.23 -0.08 0.00 -1.45 0.00 0.00 41.25 39.49 2aas s ASN 113 CO 0.00 -0.27 1.09 -2.16 -3.72 0.00 0.00 177.10 172.04 2aas s PRO 114 N 2.12 3.81 -0.23 0.43 0.04 -1.26 -5.04 135.00 134.87 2aas s PRO 114 Ca 0.04 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 2aas s PRO 114 Cb -0.13 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 2aas s PRO 114 CO -0.05 -0.46 2.23 0.98 0.04 0.00 0.00 177.00 179.74 2aas n TYR 115 N -0.64 1.93 -5.14 0.56 9.36 -1.20 -4.94 117.16 117.10 2aas n TYR 115 Ca 0.08 -0.10 -0.32 0.00 3.32 0.00 0.00 57.90 60.88 2aas n TYR 115 Cb 0.50 -2.72 -0.16 0.00 -0.63 0.00 0.00 39.34 36.34 2aas n TYR 115 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2aas s VAL 116 N 8.36 2.33 0.04 2.97 -7.23 0.70 -4.81 120.40 122.75 2aas s VAL 116 Ca 1.02 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 2aas s VAL 116 Cb -0.36 -1.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 2aas s VAL 116 CO 0.36 0.56 1.89 -2.84 -0.31 0.00 0.00 175.10 174.77 2aas s PRO 117 N -0.03 4.15 -0.14 4.82 0.02 -1.26 -1.29 135.00 141.26 2aas s PRO 117 Ca -0.06 2.54 0.19 0.00 0.02 0.00 0.00 61.00 63.69 2aas s PRO 117 Cb -0.15 -4.04 -0.28 0.00 0.02 0.00 0.00 34.50 30.05 2aas s PRO 117 CO 0.05 -0.92 0.21 1.33 -0.33 0.00 0.00 177.00 177.34 2aas n VAL 118 N 5.40 0.93 -3.74 3.83 0.24 0.64 -4.45 118.33 121.19 2aas n VAL 118 Ca 0.19 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.34 61.62 2aas n VAL 118 Cb 0.41 -0.31 -0.10 0.00 -1.47 0.00 0.00 33.84 32.37 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 -2.83 -0.36 -0.12 6.34 5.65 -1.08 -3.37 115.29 119.53 2aas s HIS 119 Ca -0.09 0.81 -0.03 0.00 0.25 0.00 0.00 55.06 56.00 2aas s HIS 119 Cb 0.09 0.14 -0.03 0.00 -1.18 0.00 0.00 32.58 31.59 2aas s HIS 119 CO 0.86 -0.26 0.01 0.12 -0.65 0.00 0.00 174.74 174.81 2aas s PHE 120 N -0.23 3.15 -0.04 3.88 2.19 -1.26 -0.42 117.98 125.25 2aas s PHE 120 Ca -0.04 0.06 -0.07 0.00 0.33 0.00 0.00 56.93 57.21 2aas s PHE 120 Cb -0.03 -1.89 -0.02 0.00 -1.31 0.00 0.00 43.02 39.77 2aas s PHE 120 CO 0.02 0.29 -0.13 -3.47 1.83 0.00 0.00 175.22 173.76 2aas n ASP 121 N 2.74 1.00 -3.65 6.13 2.03 0.01 -4.95 116.55 119.87 2aas n ASP 121 Ca -0.18 0.16 -0.16 0.00 0.52 0.00 0.00 54.79 55.13 2aas n ASP 121 Cb 0.53 -0.48 -0.07 0.00 -0.72 0.00 0.00 41.12 40.38 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 -2.58 -1.26 -0.12 -1.67 0.00 -1.23 -5.02 121.76 109.87 2aas s ALA 122 Ca -0.11 0.81 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 2aas s ALA 122 Cb 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2aas s ALA 122 CO 0.16 -0.31 0.07 -1.12 0.00 0.00 0.00 175.76 174.57 2aas s SER 123 N -1.25 5.82 0.00 0.00 0.01 -1.26 -0.86 113.70 116.16 2aas s SER 123 Ca -0.12 0.27 0.11 0.00 1.31 0.00 0.00 55.95 57.52 2aas s SER 123 Cb -0.03 -1.84 0.09 0.00 0.21 0.00 0.00 66.02 64.45 2aas s SER 123 CO 0.07 0.34 0.86 0.52 0.41 0.00 0.00 173.24 175.44