#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 3.35 0.82 -1.58 2.12 -1.26 -5.00 118.70 117.14 2aas s GLU 2 Ca 0.00 -0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.20 2aas s GLU 2 Cb 0.00 -4.10 0.08 0.00 0.26 0.00 0.00 34.13 30.37 2aas s GLU 2 CO 0.00 -1.91 1.12 0.95 -0.54 0.00 0.00 175.26 174.87 2aas s THR 3 N 5.33 2.71 0.33 -1.70 -4.23 -1.26 -4.96 115.64 111.86 2aas s THR 3 Ca 0.39 0.23 0.02 0.00 -1.18 0.00 0.00 61.69 61.15 2aas s THR 3 Cb -0.08 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 70.93 2aas s THR 3 CO 0.20 -0.30 1.94 0.00 -0.54 0.00 0.00 174.62 175.91 2aas h ALA 4 N -1.14 1.43 -0.73 3.99 0.00 -1.94 -1.89 119.26 118.98 2aas h ALA 4 Ca -0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2aas h ALA 4 Cb 1.29 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2aas h ALA 4 CO 0.61 0.45 0.45 0.00 0.00 0.00 0.00 179.25 180.76 2aas h ALA 5 N 1.52 0.93 -0.60 0.00 0.00 -1.79 -1.93 119.26 117.40 2aas h ALA 5 Ca 0.19 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2aas h ALA 5 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2aas h ALA 5 CO -0.02 0.40 0.40 0.00 0.00 0.00 0.00 179.25 180.02 2aas h ALA 6 N 1.24 1.59 -0.39 0.00 0.00 -1.68 -1.18 119.26 118.84 2aas h ALA 6 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2aas h ALA 6 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2aas h ALA 6 CO -0.05 0.37 0.08 -0.22 0.00 0.00 0.00 179.25 179.43 2aas h LYS 7 N 0.80 0.64 -0.31 0.00 3.64 -0.80 -1.25 116.57 119.29 2aas h LYS 7 Ca 0.23 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2aas h LYS 7 Cb -0.06 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 2aas h LYS 7 CO -0.05 0.68 -0.08 0.35 -2.27 0.00 0.00 179.45 178.07 2aas h PHE 8 N 0.50 -0.18 -0.29 1.91 3.57 -0.96 -2.34 116.94 119.14 2aas h PHE 8 Ca 0.12 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.72 2aas h PHE 8 Cb 0.33 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 2aas h PHE 8 CO 0.02 -0.14 -0.20 0.93 -2.23 0.00 0.00 178.31 176.69 2aas h GLU 9 N -0.01 -0.16 0.37 1.11 4.39 -0.80 0.87 114.58 120.34 2aas h GLU 9 Ca 0.15 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2aas h GLU 9 Cb 0.24 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2aas h GLU 9 CO -0.33 -0.11 -0.20 -0.09 -1.16 0.00 0.00 179.01 177.12 2aas h ARG 10 N -0.17 -0.51 -0.29 2.33 2.43 -1.04 0.26 114.38 117.39 2aas h ARG 10 Ca 0.15 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2aas h ARG 10 Cb 0.41 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2aas h ARG 10 CO -0.39 -0.34 0.18 1.96 -1.51 0.00 0.00 179.97 179.86 2aas h GLN 11 N -0.53 0.38 0.00 0.20 4.20 -0.96 -3.42 115.11 114.98 2aas h GLN 11 Ca -0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2aas h GLN 11 Cb 0.42 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2aas h GLN 11 CO 0.07 0.26 -1.02 0.72 -0.67 0.00 0.00 178.83 178.19 2aas n HIS 12 N -4.48 0.00 -3.10 2.96 8.25 0.26 -4.43 115.22 114.67 2aas n HIS 12 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 2aas n HIS 12 Cb 0.08 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.01 4.33 -0.40 -0.41 -1.94 0.89 0.43 119.30 120.19 2aas s MET 13 Ca -0.00 0.72 0.03 0.00 -1.71 0.00 0.00 55.69 54.73 2aas s MET 13 Cb 0.00 -3.50 0.16 0.00 2.01 0.00 0.00 34.83 33.50 2aas s MET 13 CO 0.01 -0.06 0.36 0.34 -0.01 0.00 0.00 175.02 175.65 2aas s ASP 14 N 0.94 1.42 0.10 3.03 2.15 -0.72 -4.89 116.67 118.70 2aas s ASP 14 Ca 0.32 -2.53 -0.02 0.00 0.43 0.00 0.00 52.55 50.75 2aas s ASP 14 Cb -0.16 -0.05 -0.22 0.00 -0.30 0.00 0.00 42.92 42.19 2aas s ASP 14 CO 0.13 -0.20 1.21 0.77 -0.17 0.00 0.00 175.17 176.91 2aas h SER 15 N 6.07 0.36 0.71 -0.34 4.64 -1.81 -3.36 113.55 119.83 2aas h SER 15 Ca 0.17 -0.36 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 2aas h SER 15 Cb 0.96 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.94 2aas h SER 15 CO 0.28 1.25 -0.34 0.77 -0.87 0.00 0.00 176.83 177.92 2aas h SER 16 N 0.09 -0.81 -3.03 4.97 4.64 -1.95 -3.33 113.55 114.13 2aas h SER 16 Ca -0.10 0.02 -0.60 0.00 -0.47 0.00 0.00 61.79 60.64 2aas h SER 16 Cb 1.84 0.21 -0.12 0.00 -0.31 0.00 0.00 62.40 64.02 2aas h SER 16 CO 0.18 -0.56 0.64 -0.89 -0.87 0.00 0.00 176.83 175.33 2aas s THR 17 N -5.92 4.29 -2.00 2.95 2.01 -1.26 -4.92 115.64 110.80 2aas s THR 17 Ca -0.18 0.23 0.13 0.00 0.31 0.00 0.00 61.69 62.19 2aas s THR 17 Cb 0.03 -4.61 0.37 0.00 0.01 0.00 0.00 72.50 68.30 2aas s THR 17 CO 0.60 -1.26 1.24 -0.24 -0.69 0.00 0.00 174.62 174.27 2aas n SER 18 N 7.75 0.00 -3.54 3.53 2.88 -1.25 -4.83 113.62 118.16 2aas n SER 18 Ca 0.01 -0.77 -0.08 0.00 -1.33 0.00 0.00 58.87 56.70 2aas n SER 18 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 2aas n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aas s ALA 19 N -2.00 -1.90 -0.69 -1.46 0.00 -1.26 -4.82 121.76 109.63 2aas s ALA 19 Ca 0.20 1.29 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 2aas s ALA 19 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2aas s ALA 19 CO 0.15 -0.55 1.68 0.00 0.00 0.00 0.00 175.76 177.04 2aas s ALA 20 N -2.37 2.32 -1.28 0.00 0.00 -1.26 -4.88 121.76 114.29 2aas s ALA 20 Ca 0.04 -0.99 0.16 0.00 0.00 0.00 0.00 51.96 51.16 2aas s ALA 20 Cb -0.01 -4.32 0.76 0.00 0.00 0.00 0.00 23.12 19.55 2aas s ALA 20 CO -0.05 -3.78 1.48 -1.13 0.00 0.00 0.00 175.76 172.28 2aas n SER 21 N 11.71 0.00 -3.85 0.00 3.41 -1.26 -4.78 113.62 118.85 2aas n SER 21 Ca 0.17 0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.88 2aas n SER 21 Cb 0.51 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 2aas n SER 21 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2aas s SER 22 N -2.72 -0.01 0.56 4.04 0.15 -1.26 -5.00 113.70 109.45 2aas s SER 22 Ca 0.13 -0.14 0.31 0.00 0.70 0.00 0.00 55.95 56.95 2aas s SER 22 Cb 0.11 0.23 1.67 0.00 -1.71 0.00 0.00 66.02 66.31 2aas s SER 22 CO 0.26 -0.36 1.92 0.77 1.20 0.00 0.00 173.24 177.03 2aas h SER 23 N 4.32 0.00 0.00 5.45 4.64 -1.89 -1.38 113.55 124.69 2aas h SER 23 Ca -0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 2aas h SER 23 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 2aas h SER 23 CO 0.40 0.00 -0.43 0.59 -0.87 0.00 0.00 176.83 176.52 2aas n ASN 24 N -2.71 1.69 -0.13 4.97 4.13 -1.26 -3.13 115.26 118.82 2aas n ASN 24 Ca -0.02 -3.34 -0.04 0.00 1.68 0.00 0.00 54.58 52.86 2aas n ASN 24 Cb 0.21 -0.46 0.04 0.00 -1.54 0.00 0.00 39.78 38.03 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 0.67 -0.05 -0.68 3.10 3.20 -1.61 -2.56 116.97 119.04 2aas h TYR 25 Ca -0.03 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.98 2aas h TYR 25 Cb 1.13 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 2aas h TYR 25 CO 0.45 -0.10 0.45 0.00 -1.64 0.00 0.00 178.16 177.32 2aas h ASN 27 N 0.53 -1.59 -0.08 0.00 4.21 -1.72 0.18 115.58 117.11 2aas h ASN 27 Ca 0.32 0.18 -0.01 0.00 1.21 0.00 0.00 56.30 58.00 2aas h ASN 27 Cb 0.53 0.61 -0.00 0.00 -1.12 0.00 0.00 38.32 38.33 2aas h ASN 27 CO -0.10 -0.49 0.02 1.56 -1.29 0.00 0.00 177.43 177.13 2aas h GLN 28 N -0.62 0.13 -0.71 0.81 7.50 -1.71 -3.25 115.11 117.24 2aas h GLN 28 Ca 0.01 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.09 2aas h GLN 28 Cb 0.68 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.16 2aas h GLN 28 CO -0.35 0.31 0.28 1.98 -1.50 0.00 0.00 178.83 179.54 2aas h MET 29 N -0.08 1.07 0.00 1.46 4.05 -1.23 -0.30 114.93 119.91 2aas h MET 29 Ca 0.03 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2aas h MET 29 Cb 0.24 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2aas h MET 29 CO 0.00 0.89 -0.00 0.52 0.23 0.00 0.00 176.91 178.54 2aas h MET 30 N 1.02 0.00 0.06 0.39 2.86 -0.73 -1.81 114.93 116.72 2aas h MET 30 Ca 0.24 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.66 2aas h MET 30 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2aas h MET 30 CO -0.02 0.00 -1.11 0.87 1.06 0.00 0.00 176.91 177.72 2aas h LYS 31 N 0.00 0.13 -0.98 1.72 1.57 -1.31 -3.16 116.57 114.54 2aas h LYS 31 Ca -0.00 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2aas h LYS 31 Cb 0.01 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 2aas h LYS 31 CO 0.00 1.11 0.64 0.66 -0.57 0.00 0.00 179.45 181.29 2aas h SER 32 N -0.62 1.09 -3.58 0.86 4.64 -0.96 -3.29 113.55 111.68 2aas h SER 32 Ca -0.26 -0.02 -0.61 0.00 -0.47 0.00 0.00 61.79 60.43 2aas h SER 32 Cb 1.50 -0.26 -0.11 0.00 -0.31 0.00 0.00 62.40 63.21 2aas h SER 32 CO -0.03 0.76 0.45 -0.13 -0.87 0.00 0.00 176.83 177.02 2aas s ARG 33 N -6.10 3.63 0.00 4.77 1.81 -0.69 -4.95 118.95 117.42 2aas s ARG 33 Ca -0.13 0.21 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 2aas s ARG 33 Cb 0.18 -3.87 0.00 0.00 -0.45 0.00 0.00 34.95 30.81 2aas s ARG 33 CO 0.81 -1.02 0.00 0.09 -0.68 0.00 0.00 175.30 174.50 2aas n ASN 34 N 6.72 0.00 0.16 0.23 4.13 -1.24 -4.09 115.26 121.18 2aas n ASN 34 Ca 0.04 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.35 2aas n ASN 34 Cb 0.48 0.00 0.51 0.00 -1.54 0.00 0.00 39.78 39.23 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 0.30 0.16 -3.13 3.41 3.38 -1.83 -2.92 115.31 114.68 2aas h LEU 35 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2aas h LEU 35 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2aas h LEU 35 CO 0.00 0.19 0.00 0.35 0.09 0.00 0.00 178.44 179.07 2aas n THR 36 N -4.43 1.80 1.34 0.22 -2.24 -1.19 -4.44 114.28 105.34 2aas n THR 36 Ca -0.01 -1.33 0.10 0.00 -2.27 0.00 0.00 64.05 60.54 2aas n THR 36 Cb 0.14 0.10 0.59 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.59 0.67 0.07 -0.78 4.76 -1.10 -3.33 118.16 119.04 2aas n LYS 37 Ca 0.22 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2aas n LYS 37 Cb 0.81 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 2aas n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2aas n ASP 38 N -0.96 0.50 -4.19 4.39 2.03 -1.26 -5.08 116.55 111.98 2aas n ASP 38 Ca 0.15 0.24 -0.11 0.00 0.52 0.00 0.00 54.79 55.58 2aas n ASP 38 Cb 0.07 -0.03 -0.10 0.00 -0.72 0.00 0.00 41.12 40.34 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aas s ARG 39 N -2.00 0.93 -0.11 -0.67 1.70 -1.21 -4.95 118.95 112.63 2aas s ARG 39 Ca 0.00 -1.41 -0.29 0.00 -0.47 0.00 0.00 55.73 53.56 2aas s ARG 39 Cb 0.00 -0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.14 2aas s ARG 39 CO 0.00 -0.08 1.72 0.00 -1.08 0.00 0.00 175.30 175.86 2aas s LYS 41 N 4.48 4.26 0.14 0.00 2.20 -1.26 -4.97 119.74 124.59 2aas s LYS 41 Ca 0.76 2.22 -0.32 0.00 -0.36 0.00 0.00 55.97 58.27 2aas s LYS 41 Cb -0.31 -3.24 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 2aas s LYS 41 CO 0.31 -0.54 1.54 -1.35 -0.36 0.00 0.00 175.35 174.95 2aas h PRO 42 N 6.93 -0.29 -3.41 4.03 0.11 -1.95 -3.42 132.00 134.01 2aas h PRO 42 Ca -0.42 0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.52 2aas h PRO 42 Cb 1.21 0.07 -0.26 0.00 0.11 0.00 0.00 31.00 32.12 2aas h PRO 42 CO 0.89 -0.19 -0.55 0.08 -0.21 0.00 0.00 178.00 178.02 2aas s VAL 43 N -5.59 0.01 0.14 3.15 1.01 -1.26 -0.83 120.40 117.02 2aas s VAL 43 Ca -0.14 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 2aas s VAL 43 Cb 0.09 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 36.29 2aas s VAL 43 CO 0.61 -0.03 0.42 0.21 0.00 0.00 0.00 175.10 176.31 2aas s ASN 44 N -0.03 -0.25 -0.05 3.32 2.47 -0.16 -5.03 114.94 115.20 2aas s ASN 44 Ca -0.01 -0.33 0.06 0.00 0.42 0.00 0.00 52.86 53.00 2aas s ASN 44 Cb -0.01 0.49 -0.01 0.00 -1.45 0.00 0.00 41.25 40.27 2aas s ASN 44 CO 0.00 -0.88 -0.22 -0.89 -3.72 0.00 0.00 177.10 171.38 2aas s THR 45 N -3.81 1.84 0.09 -5.21 2.01 -1.26 -0.07 115.64 109.22 2aas s THR 45 Ca 0.04 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.09 2aas s THR 45 Cb 0.01 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 2aas s THR 45 CO -0.11 0.52 0.23 -0.36 -0.69 0.00 0.00 174.62 174.21 2aas s PHE 46 N -0.14 3.51 -0.15 4.92 0.08 0.14 -4.18 117.98 122.16 2aas s PHE 46 Ca -0.02 0.21 -0.00 0.00 0.12 0.00 0.00 56.93 57.23 2aas s PHE 46 Cb -0.13 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2aas s PHE 46 CO 0.03 0.57 -0.07 0.08 -0.10 0.00 0.00 175.22 175.72 2aas s VAL 47 N -1.58 1.16 -1.09 -0.44 1.01 0.17 0.46 120.40 120.09 2aas s VAL 47 Ca 0.35 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2aas s VAL 47 Cb -0.12 -1.25 0.24 0.00 0.00 0.00 0.00 36.38 35.25 2aas s VAL 47 CO 0.28 0.25 2.10 1.41 0.00 0.00 0.00 175.10 179.13 2aas n HIS 48 N 4.88 2.66 -4.00 5.22 8.25 0.38 -1.76 115.22 130.84 2aas n HIS 48 Ca -0.13 -2.60 -0.00 0.00 -0.26 0.00 0.00 57.72 54.73 2aas n HIS 48 Cb 0.49 -1.44 -0.00 0.00 1.12 0.00 0.00 29.99 30.16 2aas n HIS 48 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2aas n GLU 49 N 0.60 0.31 -4.26 -0.41 -0.58 -1.26 -4.58 120.64 110.46 2aas n GLU 49 Ca 0.53 -0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.95 2aas n GLU 49 Cb 0.27 0.02 -0.11 0.00 -0.57 0.00 0.00 31.44 31.05 2aas n GLU 49 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2aas s SER 50 N -1.02 4.15 0.17 1.62 1.04 -1.26 -3.48 113.70 114.92 2aas s SER 50 Ca 0.00 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 55.81 2aas s SER 50 Cb 0.00 -0.70 0.12 0.00 0.10 0.00 0.00 66.02 65.55 2aas s SER 50 CO 0.00 0.18 1.69 0.25 0.98 0.00 0.00 173.24 176.34 2aas h LEU 51 N 3.66 -0.17 -0.70 2.42 5.85 -1.99 -1.83 115.31 122.55 2aas h LEU 51 Ca -0.49 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.45 2aas h LEU 51 Cb 1.17 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 42.28 2aas h LEU 51 CO 0.49 -0.05 0.26 0.00 -0.34 0.00 0.00 178.44 178.80 2aas h ALA 52 N 1.37 0.94 0.00 1.25 0.00 -1.99 0.12 119.26 120.94 2aas h ALA 52 Ca 0.21 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2aas h ALA 52 Cb 0.29 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2aas h ALA 52 CO -0.34 -0.21 0.00 0.22 0.00 0.00 0.00 179.25 178.92 2aas h ASP 53 N 0.42 0.00 0.03 0.00 3.58 -1.77 -2.51 116.42 116.17 2aas h ASP 53 Ca 0.37 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.45 2aas h ASP 53 Cb 0.53 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.51 2aas h ASP 53 CO -0.37 0.00 -2.36 0.52 -2.88 0.00 0.00 179.24 174.14 2aas n VAL 54 N -2.99 1.44 -0.38 2.25 0.31 0.19 -3.63 118.33 115.51 2aas n VAL 54 Ca -0.00 -0.78 0.30 0.00 -0.01 0.00 0.00 64.34 63.85 2aas n VAL 54 Cb 0.24 -0.77 0.57 0.00 -0.91 0.00 0.00 33.84 32.97 2aas n VAL 54 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2aas h GLN 55 N 0.00 0.22 0.00 5.55 4.20 -0.74 -0.43 115.11 123.90 2aas h GLN 55 Ca -0.54 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.16 2aas h GLN 55 Cb 2.14 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.87 2aas h GLN 55 CO 0.00 0.14 -0.01 0.00 -0.67 0.00 0.00 178.83 178.30 2aas h ALA 56 N 1.67 1.16 0.07 3.87 0.00 -1.52 -2.16 119.26 122.36 2aas h ALA 56 Ca 0.74 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.39 2aas h ALA 56 Cb 2.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 2aas h ALA 56 CO -0.43 0.01 -1.18 0.28 0.00 0.00 0.00 179.25 177.92 2aas h VAL 57 N 0.00 1.54 0.00 0.00 2.07 -1.21 -3.22 116.25 115.43 2aas h VAL 57 Ca -0.00 -3.18 0.00 0.00 0.82 0.00 0.00 66.70 64.34 2aas h VAL 57 Cb 0.06 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2aas h VAL 57 CO 0.00 0.91 0.08 0.00 0.02 0.00 0.00 177.57 178.58 2aas n SER 59 N -2.85 3.34 0.00 0.00 7.64 -1.22 -4.89 113.62 115.63 2aas n SER 59 Ca -0.02 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.84 2aas n SER 59 Cb 0.14 -0.50 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 -0.81 0.00 -3.87 1.43 6.02 -0.58 -5.02 117.38 114.55 2aas n GLN 60 Ca 0.19 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.92 2aas n GLN 60 Cb 0.79 -0.13 -0.17 0.00 1.02 0.00 0.00 30.24 31.76 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 -0.22 1.31 0.12 -1.09 2.20 -0.68 -5.01 119.74 116.37 2aas s LYS 61 Ca 0.00 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 2aas s LYS 61 Cb 0.00 -1.70 -0.06 0.00 -1.51 0.00 0.00 37.83 34.55 2aas s LYS 61 CO 0.00 -0.36 1.04 1.21 -0.36 0.00 0.00 175.35 176.87 2aas s ASN 62 N 1.72 7.36 0.27 1.43 3.84 -1.26 -0.25 114.94 128.06 2aas s ASN 62 Ca 0.03 1.91 0.02 0.00 0.21 0.00 0.00 52.86 55.04 2aas s ASN 62 Cb -0.14 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 37.93 2aas s ASN 62 CO -0.08 -0.18 0.17 0.68 -2.79 0.00 0.00 177.10 174.90 2aas s VAL 63 N 0.09 0.18 -0.04 -5.21 -7.23 -0.26 -4.92 120.40 103.01 2aas s VAL 63 Ca 0.49 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.55 2aas s VAL 63 Cb -0.26 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 2aas s VAL 63 CO 0.31 0.00 0.30 0.00 -0.31 0.00 0.00 175.10 175.41 2aas s ALA 64 N -3.77 3.77 0.56 1.32 0.00 -1.26 -2.95 121.76 119.44 2aas s ALA 64 Ca 0.38 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 2aas s ALA 64 Cb 0.05 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 2aas s ALA 64 CO 0.17 0.54 1.12 0.00 0.00 0.00 0.00 175.76 177.60 2aas n LYS 66 N -1.49 0.12 0.15 0.00 4.01 -1.26 -0.17 118.16 119.52 2aas n LYS 66 Ca 0.11 0.62 0.12 0.00 -0.51 0.00 0.00 58.31 58.65 2aas n LYS 66 Cb 0.51 -1.91 0.12 0.00 -0.51 0.00 0.00 35.03 33.25 2aas n LYS 66 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 2aas h ASN 67 N 0.00 0.00 0.00 4.39 7.08 -2.03 -3.48 115.58 121.53 2aas h ASN 67 Ca 0.00 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 2aas h ASN 67 Cb 0.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.26 2aas h ASN 67 CO 0.00 0.01 0.00 0.61 -2.08 0.00 0.00 177.43 175.97 2aas n GLY 68 N 1.17 1.10 3.78 9.14 0.00 0.76 -5.12 105.19 116.03 2aas n GLY 68 Ca 0.02 0.00 -0.36 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 -0.25 4.29 0.00 1.61 -0.44 -1.25 -4.73 119.66 118.88 2aas s GLN 69 Ca 0.00 1.45 0.30 0.00 -2.50 0.00 0.00 55.36 54.61 2aas s GLN 69 Cb 0.00 -2.60 1.52 0.00 -1.64 0.00 0.00 33.01 30.29 2aas s GLN 69 CO 0.00 -0.02 2.05 0.25 0.50 0.00 0.00 175.29 178.07 2aas n THR 70 N 0.08 0.00 -0.44 -0.34 -2.24 -1.26 -0.25 114.28 109.82 2aas n THR 70 Ca 0.04 -0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 2aas n THR 70 Cb 0.50 -0.49 0.12 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.28 3.51 -4.63 3.42 6.94 -1.26 -4.54 115.26 117.42 2aas n ASN 71 Ca 0.14 -3.03 -0.31 0.00 -0.02 0.00 0.00 54.58 51.36 2aas n ASN 71 Cb 0.24 -0.72 -0.09 0.00 -2.36 0.00 0.00 39.78 36.85 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 -1.18 0.21 -0.00 0.00 1.51 -0.43 -1.10 117.35 116.35 2aas s TYR 73 Ca 0.22 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.08 2aas s TYR 73 Cb -0.11 -0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 2aas s TYR 73 CO 0.14 -0.06 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.36 2aas s GLN 74 N -0.58 2.75 0.13 -0.62 0.74 0.65 -1.97 119.66 120.76 2aas s GLN 74 Ca -0.05 -0.63 -0.24 0.00 0.05 0.00 0.00 55.36 54.49 2aas s GLN 74 Cb -0.04 -2.64 -0.07 0.00 1.10 0.00 0.00 33.01 31.36 2aas s GLN 74 CO -0.00 0.62 0.73 -1.54 -0.55 0.00 0.00 175.29 174.54 2aas s SER 75 N -1.51 7.30 0.51 6.67 1.04 -1.15 -1.69 113.70 124.86 2aas s SER 75 Ca 0.19 1.53 0.29 0.00 0.48 0.00 0.00 55.95 58.45 2aas s SER 75 Cb -0.11 -2.46 1.28 0.00 0.10 0.00 0.00 66.02 64.83 2aas s SER 75 CO 0.09 0.21 1.97 1.88 0.98 0.00 0.00 173.24 178.37 2aas h TYR 76 N 4.51 0.00 -3.05 5.02 0.05 -1.95 -3.43 116.97 118.12 2aas h TYR 76 Ca -0.47 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.69 2aas h TYR 76 Cb 1.21 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.84 2aas h TYR 76 CO 0.65 0.11 -0.63 0.45 -1.05 0.00 0.00 178.16 177.69 2aas s SER 77 N -5.95 5.10 0.42 3.88 0.15 -1.26 -5.12 113.70 110.92 2aas s SER 77 Ca -0.00 -0.22 -0.23 0.00 0.70 0.00 0.00 55.95 56.20 2aas s SER 77 Cb 0.11 -1.22 -0.09 0.00 -1.71 0.00 0.00 66.02 63.10 2aas s SER 77 CO 0.58 0.12 1.03 0.42 1.20 0.00 0.00 173.24 176.59 2aas s THR 78 N -1.54 3.85 0.15 6.45 -4.23 -1.26 -4.65 115.64 114.40 2aas s THR 78 Ca 0.28 1.31 0.09 0.00 -1.18 0.00 0.00 61.69 62.19 2aas s THR 78 Cb -0.11 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 2aas s THR 78 CO 0.20 -0.09 -0.21 -0.04 -0.54 0.00 0.00 174.62 173.94 2aas s MET 79 N -2.75 1.29 -0.57 3.99 -1.94 0.98 -4.82 119.30 115.49 2aas s MET 79 Ca 0.60 -1.35 -0.28 0.00 -1.71 0.00 0.00 55.69 52.95 2aas s MET 79 Cb -0.19 -1.52 0.02 0.00 2.01 0.00 0.00 34.83 35.16 2aas s MET 79 CO 0.24 0.33 1.31 0.45 -0.01 0.00 0.00 175.02 177.34 2aas s SER 80 N -2.37 6.28 0.05 3.03 0.15 -1.26 -1.37 113.70 118.22 2aas s SER 80 Ca 0.14 0.22 0.08 0.00 0.70 0.00 0.00 55.95 57.08 2aas s SER 80 Cb -0.08 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.06 -1.60 -0.22 0.27 1.20 0.00 0.00 173.24 172.96 2aas s ILE 81 N 5.52 1.74 -0.31 6.45 -5.25 0.18 -0.47 121.20 129.07 2aas s ILE 81 Ca 0.48 -1.26 0.03 0.00 -0.99 0.00 0.00 60.65 58.92 2aas s ILE 81 Cb -0.09 -1.52 0.09 0.00 2.95 0.00 0.00 42.46 43.89 2aas s ILE 81 CO 0.25 0.21 -0.00 -0.89 -1.79 0.00 0.00 174.94 172.72 2aas s THR 82 N -0.83 2.15 -0.11 8.37 2.01 0.17 -0.78 115.64 126.62 2aas s THR 82 Ca 0.08 -2.03 -0.30 0.00 0.31 0.00 0.00 61.69 59.75 2aas s THR 82 Cb -0.09 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 2aas s THR 82 CO 0.02 -0.40 1.08 -1.81 -0.69 0.00 0.00 174.62 172.82 2aas s ASP 83 N 1.02 7.15 -0.36 3.53 1.01 -0.16 0.25 116.67 129.12 2aas s ASP 83 Ca 0.04 1.60 -0.02 0.00 0.71 0.00 0.00 52.55 54.88 2aas s ASP 83 Cb -0.19 -2.55 0.08 0.00 1.01 0.00 0.00 42.92 41.27 2aas s ASP 83 CO -0.08 -0.53 0.10 0.00 0.21 0.00 0.00 175.17 174.87 2aas s ARG 85 N 1.15 2.40 0.43 0.00 3.00 -0.38 -0.99 118.95 124.56 2aas s ARG 85 Ca 0.03 -0.77 -0.26 0.00 0.00 0.00 0.00 55.73 54.73 2aas s ARG 85 Cb -0.21 -2.34 -0.09 0.00 0.00 0.00 0.00 34.95 32.31 2aas s ARG 85 CO -0.03 0.60 1.41 -1.21 0.00 0.00 0.00 175.30 176.06 2aas s GLU 86 N -0.98 3.81 0.47 3.54 2.02 -0.01 0.43 118.70 127.98 2aas s GLU 86 Ca 0.13 2.38 -0.01 0.00 0.02 0.00 0.00 54.97 57.49 2aas s GLU 86 Cb -0.11 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.39 2aas s GLU 86 CO 0.02 -0.70 0.71 0.95 0.02 0.00 0.00 175.26 176.26 2aas s THR 87 N -1.20 4.11 0.26 3.63 -4.23 -0.36 -4.67 115.64 113.18 2aas s THR 87 Ca 0.59 -0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.72 2aas s THR 87 Cb -0.43 -3.54 0.25 0.00 1.34 0.00 0.00 72.50 70.12 2aas s THR 87 CO 0.56 -0.42 1.85 1.23 -0.54 0.00 0.00 174.62 177.29 2aas h GLY 88 N 0.32 1.44 -3.54 3.99 0.00 -1.97 -2.50 103.07 100.81 2aas h GLY 88 Ca -0.46 -0.41 -0.39 0.00 0.00 0.00 0.00 47.33 46.06 2aas h GLY 88 CO 0.59 0.24 0.51 -1.14 0.00 0.00 0.00 176.54 176.73 2aas n SER 89 N -4.61 6.22 -4.27 0.19 3.41 -1.26 -4.83 113.62 108.47 2aas n SER 89 Ca 0.15 -3.20 -0.44 0.00 -0.26 0.00 0.00 58.87 55.12 2aas n SER 89 Cb 0.24 -0.98 -0.05 0.00 -0.26 0.00 0.00 64.21 63.15 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 -0.32 6.17 0.20 4.04 0.15 -0.94 -4.50 113.70 118.49 2aas s SER 90 Ca 0.38 -2.25 0.11 0.00 0.70 0.00 0.00 55.95 54.89 2aas s SER 90 Cb 0.30 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 2aas s SER 90 CO 0.01 -0.67 -0.23 -1.59 1.20 0.00 0.00 173.24 171.95 2aas s LYS 91 N 0.86 1.51 0.11 5.44 0.00 -1.22 -4.78 119.74 121.66 2aas s LYS 91 Ca 0.10 -1.53 -0.30 0.00 0.00 0.00 0.00 55.97 54.24 2aas s LYS 91 Cb -0.21 -1.80 -0.06 0.00 0.00 0.00 0.00 37.83 35.76 2aas s LYS 91 CO -0.03 0.38 1.02 -0.47 0.00 0.00 0.00 175.35 176.25 2aas s TYR 92 N -1.75 3.71 -2.19 1.78 5.04 -1.26 -0.49 117.35 122.19 2aas s TYR 92 Ca 0.21 1.70 0.28 0.00 -2.44 0.00 0.00 57.07 56.82 2aas s TYR 92 Cb -0.08 -3.15 0.98 0.00 0.35 0.00 0.00 41.96 40.07 2aas s TYR 92 CO 0.10 -0.14 1.70 -0.35 -1.34 0.00 0.00 175.55 175.53 2aas n PRO 93 N 2.88 1.32 -3.12 4.97 -0.04 -1.26 -5.00 135.00 134.75 2aas n PRO 93 Ca 0.03 -0.74 -0.44 0.00 -0.04 0.00 0.00 63.50 62.31 2aas n PRO 93 Cb 0.48 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2aas n PRO 93 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aas n ASN 94 N -0.19 5.62 -4.71 3.54 5.15 0.36 -4.98 115.26 120.04 2aas n ASN 94 Ca 0.17 -3.11 -0.42 0.00 -0.60 0.00 0.00 54.58 50.62 2aas n ASN 94 Cb 0.34 -1.40 -0.03 0.00 -0.53 0.00 0.00 39.78 38.16 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aas s ALA 96 N 1.33 2.14 0.11 0.00 0.00 -1.26 -4.60 121.76 119.47 2aas s ALA 96 Ca 0.62 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.59 2aas s ALA 96 Cb -0.33 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2aas s ALA 96 CO 0.29 -0.31 -0.23 0.71 0.00 0.00 0.00 175.76 176.22 2aas s TYR 97 N 1.29 1.99 -0.28 0.00 1.51 -1.26 -1.23 117.35 119.37 2aas s TYR 97 Ca 0.03 -0.40 -0.21 0.00 -1.01 0.00 0.00 57.07 55.48 2aas s TYR 97 Cb -0.13 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.62 2aas s TYR 97 CO -0.11 0.25 0.68 0.21 -1.11 0.00 0.00 175.55 175.47 2aas s LYS 98 N -1.91 4.01 -0.15 -0.62 2.20 0.17 -4.64 119.74 118.79 2aas s LYS 98 Ca 0.09 0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 56.15 2aas s LYS 98 Cb -0.10 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 2aas s LYS 98 CO 0.05 -0.54 0.04 0.99 -0.36 0.00 0.00 175.35 175.53 2aas s THR 99 N 2.67 4.57 -0.18 3.43 2.01 -1.18 -1.25 115.64 125.70 2aas s THR 99 Ca 0.28 -0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 2aas s THR 99 Cb -0.15 -3.02 0.04 0.00 0.01 0.00 0.00 72.50 69.39 2aas s THR 99 CO 0.10 0.50 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.59 2aas s THR 100 N 0.05 1.23 -0.42 -0.82 2.01 0.24 -4.86 115.64 113.06 2aas s THR 100 Ca 0.04 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.07 2aas s THR 100 Cb -0.12 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.00 2aas s THR 100 CO 0.01 0.10 0.70 -1.58 -0.69 0.00 0.00 174.62 173.16 2aas s GLN 101 N 1.57 3.44 0.03 4.92 2.00 -1.26 -0.99 119.66 129.38 2aas s GLN 101 Ca -0.00 -0.15 0.02 0.00 -2.00 0.00 0.00 55.36 53.23 2aas s GLN 101 Cb -0.16 -3.91 -0.02 0.00 0.80 0.00 0.00 33.01 29.72 2aas s GLN 101 CO -0.08 -0.98 -0.07 0.00 -0.50 0.00 0.00 175.29 173.66 2aas s ALA 102 N 2.98 0.55 -0.54 1.58 0.00 0.04 -5.03 121.76 121.34 2aas s ALA 102 Ca 0.26 -0.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 2aas s ALA 102 Cb -0.13 0.02 0.14 0.00 0.00 0.00 0.00 23.12 23.14 2aas s ALA 102 CO 0.19 0.00 0.40 1.21 0.00 0.00 0.00 175.76 177.57 2aas s ASN 103 N -1.32 5.69 0.10 0.00 3.84 -1.26 -0.64 114.94 121.35 2aas s ASN 103 Ca -0.08 -2.22 0.02 0.00 0.21 0.00 0.00 52.86 50.79 2aas s ASN 103 Cb -0.09 -1.98 -0.04 0.00 -0.55 0.00 0.00 41.25 38.59 2aas s ASN 103 CO 0.00 -0.60 -0.07 -0.54 -2.79 0.00 0.00 177.10 173.11 2aas s LYS 104 N 0.89 0.85 0.43 0.43 1.02 -0.47 -4.76 119.74 118.13 2aas s LYS 104 Ca 0.10 -1.34 -0.22 0.00 0.02 0.00 0.00 55.97 54.53 2aas s LYS 104 Cb -0.23 -0.24 -0.10 0.00 -0.52 0.00 0.00 37.83 36.74 2aas s LYS 104 CO -0.03 -0.01 0.97 -1.01 -0.92 0.00 0.00 175.35 174.35 2aas s HIS 105 N -3.59 3.30 -0.04 3.18 3.76 -1.26 -0.01 115.29 120.62 2aas s HIS 105 Ca 0.12 1.63 0.07 0.00 -0.15 0.00 0.00 55.06 56.72 2aas s HIS 105 Cb 0.05 -2.91 -0.02 0.00 1.11 0.00 0.00 32.58 30.81 2aas s HIS 105 CO -0.04 -0.23 -0.23 0.96 -0.85 0.00 0.00 174.74 174.34 2aas s ILE 106 N -2.05 2.27 -0.35 0.60 -4.36 -1.26 0.42 121.20 116.46 2aas s ILE 106 Ca 0.61 -1.02 -0.10 0.00 -0.26 0.00 0.00 60.65 59.88 2aas s ILE 106 Cb -0.12 -1.81 0.01 0.00 1.25 0.00 0.00 42.46 41.79 2aas s ILE 106 CO 0.16 0.58 0.18 -0.63 0.24 0.00 0.00 174.94 175.47 2aas s ILE 107 N -0.53 4.56 -0.08 8.37 1.01 0.61 -2.94 121.20 132.20 2aas s ILE 107 Ca 0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2aas s ILE 107 Cb -0.11 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2aas s ILE 107 CO 0.00 -0.12 -0.02 0.68 0.00 0.00 0.00 174.94 175.48 2aas s VAL 108 N 1.57 4.09 -0.36 2.92 -7.23 -0.83 -1.66 120.40 118.91 2aas s VAL 108 Ca 0.03 -0.34 -0.23 0.00 -1.81 0.00 0.00 61.98 59.63 2aas s VAL 108 Cb -0.18 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.06 2aas s VAL 108 CO 0.06 0.60 0.75 0.00 -0.31 0.00 0.00 175.10 176.20 2aas s ALA 109 N -0.87 3.45 -0.02 1.32 0.00 0.78 -1.32 121.76 125.11 2aas s ALA 109 Ca 0.13 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2aas s ALA 109 Cb -0.11 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2aas s ALA 109 CO 0.02 -1.42 -0.07 0.00 0.00 0.00 0.00 175.76 174.29 2aas s GLU 111 N -1.24 1.72 0.00 0.00 2.02 -0.67 -4.90 118.70 115.63 2aas s GLU 111 Ca 0.16 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2aas s GLU 111 Cb -0.11 0.58 0.00 0.00 0.10 0.00 0.00 34.13 34.70 2aas s GLU 111 CO 0.06 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.96 2aas n GLY 112 N -0.46 -0.91 3.08 -1.39 0.00 -1.26 -1.80 105.19 102.44 2aas n GLY 112 Ca -0.04 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 2aas n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aas s ASN 113 N -2.90 3.77 0.60 1.61 4.22 -1.26 -2.51 114.94 118.48 2aas s ASN 113 Ca 0.00 -1.03 -0.16 0.00 -2.14 0.00 0.00 52.86 49.53 2aas s ASN 113 Cb 0.00 -1.47 -0.03 0.00 1.28 0.00 0.00 41.25 41.03 2aas s ASN 113 CO 0.00 -0.11 1.08 -2.84 -2.04 0.00 0.00 177.10 173.19 2aas s PRO 114 N 1.22 3.17 0.14 3.55 0.02 -1.26 -5.08 135.00 136.76 2aas s PRO 114 Ca -0.02 1.32 -0.31 0.00 0.02 0.00 0.00 61.00 62.01 2aas s PRO 114 Cb -0.17 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.26 2aas s PRO 114 CO -0.09 -0.95 1.51 -0.47 -0.33 0.00 0.00 177.00 176.68 2aas s TYR 115 N -2.31 3.07 0.14 6.54 5.04 -1.04 -5.00 117.35 123.78 2aas s TYR 115 Ca 0.66 0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 56.00 2aas s TYR 115 Cb -0.18 -3.84 -0.04 0.00 0.35 0.00 0.00 41.96 38.24 2aas s TYR 115 CO 0.36 -3.09 0.03 0.14 -1.34 0.00 0.00 175.55 171.66 2aas s VAL 116 N 1.27 0.29 0.12 3.14 -7.23 -0.74 -4.82 120.40 112.43 2aas s VAL 116 Ca 0.68 -1.93 -0.31 0.00 -1.81 0.00 0.00 61.98 58.62 2aas s VAL 116 Cb -0.41 -2.03 -0.08 0.00 0.56 0.00 0.00 36.38 34.42 2aas s VAL 116 CO 0.31 -0.50 1.34 -2.16 -0.31 0.00 0.00 175.10 173.78 2aas s PRO 117 N -4.00 4.35 -0.12 4.82 0.04 -1.26 -1.67 135.00 137.16 2aas s PRO 117 Ca 0.23 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.38 2aas s PRO 117 Cb 0.07 -3.26 -0.14 0.00 0.04 0.00 0.00 34.50 31.22 2aas s PRO 117 CO 0.02 -0.38 0.01 1.33 0.04 0.00 0.00 177.00 178.02 2aas n VAL 118 N 3.74 0.83 -3.95 -0.36 0.24 0.23 -4.22 118.33 114.85 2aas n VAL 118 Ca 0.10 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.34 61.83 2aas n VAL 118 Cb 0.43 -0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 31.95 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 -2.29 0.22 -0.05 6.34 3.76 -0.99 -2.75 115.29 119.52 2aas s HIS 119 Ca -0.09 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 2aas s HIS 119 Cb 0.04 -0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.54 2aas s HIS 119 CO 0.46 -0.30 -0.06 0.12 -0.85 0.00 0.00 174.74 174.11 2aas s PHE 120 N -2.17 2.94 0.00 1.40 2.19 -1.26 -0.16 117.98 120.93 2aas s PHE 120 Ca -0.09 0.02 0.00 0.00 0.33 0.00 0.00 56.93 57.19 2aas s PHE 120 Cb -0.04 -1.69 0.00 0.00 -1.31 0.00 0.00 43.02 39.98 2aas s PHE 120 CO -0.03 0.35 0.00 -3.47 1.83 0.00 0.00 175.22 173.91 2aas n ASP 121 N 2.04 0.00 -4.24 6.13 2.03 -0.66 -4.90 116.55 116.95 2aas n ASP 121 Ca -0.17 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.87 2aas n ASP 121 Cb 0.53 -0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.78 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 -2.21 1.76 -0.26 -1.67 0.00 -1.18 -5.01 121.76 113.20 2aas s ALA 122 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 2aas s ALA 122 Cb 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2aas s ALA 122 CO 0.00 0.42 0.12 -1.54 0.00 0.00 0.00 175.76 174.76 2aas s SER 123 N -0.75 5.56 0.00 0.00 1.04 -1.26 -0.28 113.70 118.01 2aas s SER 123 Ca 0.08 -0.09 0.26 0.00 0.48 0.00 0.00 55.95 56.67 2aas s SER 123 Cb -0.08 -2.01 0.56 0.00 0.10 0.00 0.00 66.02 64.58 2aas s SER 123 CO 0.00 -0.02 1.47 0.52 0.98 0.00 0.00 173.24 176.19