#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 3.53 0.95 -1.58 2.12 -1.26 -4.89 118.70 117.57 2aas s GLU 2 Ca 0.00 -1.89 -0.15 0.00 0.36 0.00 0.00 54.97 53.29 2aas s GLU 2 Cb 0.00 -4.69 0.17 0.00 0.26 0.00 0.00 34.13 29.87 2aas s GLU 2 CO 0.00 -1.61 1.22 0.95 -0.54 0.00 0.00 175.26 175.28 2aas s THR 3 N 2.00 1.95 0.27 -1.70 -4.23 -1.26 -4.94 115.64 107.73 2aas s THR 3 Ca 0.26 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.75 2aas s THR 3 Cb -0.09 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.15 2aas s THR 3 CO -0.07 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 175.90 2aas h ALA 4 N -1.60 1.42 -0.83 3.99 0.00 -1.94 -1.69 119.26 118.61 2aas h ALA 4 Ca -0.46 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.43 2aas h ALA 4 Cb 1.29 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2aas h ALA 4 CO 0.49 0.44 0.55 0.00 0.00 0.00 0.00 179.25 180.73 2aas h ALA 5 N 1.46 1.39 -0.46 0.00 0.00 -1.76 -1.56 119.26 118.34 2aas h ALA 5 Ca 0.42 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 2aas h ALA 5 Cb 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2aas h ALA 5 CO -0.16 0.56 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 2aas h ALA 6 N 1.47 0.81 -0.95 0.00 0.00 -1.64 -2.65 119.26 116.29 2aas h ALA 6 Ca 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2aas h ALA 6 Cb -0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 2aas h ALA 6 CO -0.06 0.65 0.61 0.87 0.00 0.00 0.00 179.25 181.31 2aas h LYS 7 N 0.79 1.27 -0.01 0.00 1.57 -0.50 0.49 116.57 120.19 2aas h LYS 7 Ca 0.11 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2aas h LYS 7 Cb 0.72 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 2aas h LYS 7 CO 0.06 0.86 -0.24 0.35 -0.57 0.00 0.00 179.45 179.90 2aas h PHE 8 N 1.30 -0.65 -0.25 -1.35 3.57 -1.24 -1.41 116.94 116.90 2aas h PHE 8 Ca 0.35 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.92 2aas h PHE 8 Cb -0.11 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 2aas h PHE 8 CO 0.00 -0.33 -0.08 0.93 -2.23 0.00 0.00 178.31 176.60 2aas h GLU 9 N -0.37 -0.02 -0.61 1.11 5.08 -0.99 0.19 114.58 118.96 2aas h GLU 9 Ca 0.06 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2aas h GLU 9 Cb 0.46 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 2aas h GLU 9 CO -0.22 -0.02 0.35 -0.09 -1.00 0.00 0.00 179.01 178.03 2aas h ARG 10 N -0.03 0.67 0.13 2.33 1.12 -0.79 -0.51 114.38 117.30 2aas h ARG 10 Ca 0.13 -0.04 -0.28 0.00 -1.11 0.00 0.00 59.98 58.67 2aas h ARG 10 Cb 0.22 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 2aas h ARG 10 CO -0.28 0.44 -1.33 1.96 -3.11 0.00 0.00 179.97 177.65 2aas h GLN 11 N 0.69 0.27 0.00 0.20 4.20 -0.82 -3.44 115.11 116.20 2aas h GLN 11 Ca 0.25 -0.46 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 2aas h GLN 11 Cb 0.08 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2aas h GLN 11 CO -0.13 1.19 -1.26 0.72 -0.67 0.00 0.00 178.83 178.68 2aas n HIS 12 N -3.51 0.00 -2.84 2.96 8.25 0.62 -4.58 115.22 116.12 2aas n HIS 12 Ca -0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.94 2aas n HIS 12 Cb 1.03 -0.18 -0.04 0.00 1.12 0.00 0.00 29.99 31.93 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 -2.09 4.45 -0.28 -0.41 -1.94 -0.21 0.22 119.30 119.04 2aas s MET 13 Ca -0.06 1.18 0.17 0.00 -1.71 0.00 0.00 55.69 55.27 2aas s MET 13 Cb 0.02 -3.49 0.49 0.00 2.01 0.00 0.00 34.83 33.86 2aas s MET 13 CO 0.10 -0.11 1.13 -0.25 -0.01 0.00 0.00 175.02 175.89 2aas n ASP 14 N 4.28 2.73 0.26 3.03 9.92 -0.44 -4.90 116.55 131.44 2aas n ASP 14 Ca 0.04 -2.65 0.13 0.00 -0.53 0.00 0.00 54.79 51.78 2aas n ASP 14 Cb 0.50 -0.44 0.81 0.00 -0.64 0.00 0.00 41.12 41.36 2aas n ASP 14 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2aas h SER 15 N 2.48 0.00 -0.23 -2.24 4.64 -1.76 -1.09 113.55 115.35 2aas h SER 15 Ca 0.04 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.40 2aas h SER 15 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 2aas h SER 15 CO 0.40 0.00 0.16 0.77 -0.87 0.00 0.00 176.83 177.29 2aas h SER 16 N 0.00 0.09 -3.36 4.97 4.64 -1.92 -3.42 113.55 114.55 2aas h SER 16 Ca 0.02 -0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.67 2aas h SER 16 Cb 0.10 -0.02 -0.32 0.00 -0.31 0.00 0.00 62.40 61.86 2aas h SER 16 CO -0.00 0.06 -0.85 0.42 -0.87 0.00 0.00 176.83 175.58 2aas s THR 17 N -5.13 2.29 0.34 2.95 -4.23 -0.41 -5.03 115.64 106.40 2aas s THR 17 Ca -0.06 -0.94 0.19 0.00 -1.18 0.00 0.00 61.69 59.70 2aas s THR 17 Cb 0.18 -1.89 0.17 0.00 1.34 0.00 0.00 72.50 72.30 2aas s THR 17 CO 0.70 0.55 1.89 0.28 -0.54 0.00 0.00 174.62 177.50 2aas h SER 18 N 6.68 0.00 -4.52 3.99 0.02 -1.82 -3.43 113.55 114.48 2aas h SER 18 Ca -0.21 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.87 2aas h SER 18 Cb 1.23 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.60 2aas h SER 18 CO 0.49 0.28 0.55 0.00 -1.14 0.00 0.00 176.83 177.01 2aas s ALA 19 N -4.07 -1.87 -0.51 3.77 0.00 -1.26 -4.83 121.76 112.99 2aas s ALA 19 Ca -0.02 1.17 -0.27 0.00 0.00 0.00 0.00 51.96 52.84 2aas s ALA 19 Cb 0.13 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 2aas s ALA 19 CO 0.67 -0.62 1.99 0.00 0.00 0.00 0.00 175.76 177.80 2aas s ALA 20 N -2.76 2.19 0.58 0.00 0.00 -1.26 -4.88 121.76 115.63 2aas s ALA 20 Ca 0.05 -0.26 0.28 0.00 0.00 0.00 0.00 51.96 52.02 2aas s ALA 20 Cb -0.01 -4.25 1.72 0.00 0.00 0.00 0.00 23.12 20.58 2aas s ALA 20 CO -0.07 -3.75 2.22 0.66 0.00 0.00 0.00 175.76 174.81 2aas h SER 21 N 15.69 0.00 -5.02 0.00 4.64 -1.99 -3.46 113.55 123.41 2aas h SER 21 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 2aas h SER 21 Cb 1.19 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 2aas h SER 21 CO 1.16 0.00 0.14 -0.94 -0.87 0.00 0.00 176.83 176.32 2aas s SER 22 N -6.24 -0.45 0.59 4.97 1.04 -1.26 -5.06 113.70 107.30 2aas s SER 22 Ca -0.05 -0.17 0.29 0.00 0.48 0.00 0.00 55.95 56.50 2aas s SER 22 Cb 0.15 0.59 1.52 0.00 0.10 0.00 0.00 66.02 68.38 2aas s SER 22 CO 0.57 -1.00 1.94 0.77 0.98 0.00 0.00 173.24 176.50 2aas h SER 23 N 2.08 0.00 0.25 7.02 4.64 -1.91 -1.70 113.55 123.93 2aas h SER 23 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2aas h SER 23 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2aas h SER 23 CO 0.38 0.00 -0.41 -0.46 -0.87 0.00 0.00 176.83 175.47 2aas n ASN 24 N -3.70 1.03 -0.28 4.97 6.94 -1.26 -3.72 115.26 119.24 2aas n ASN 24 Ca 0.06 -0.82 -0.11 0.00 -0.02 0.00 0.00 54.58 53.70 2aas n ASN 24 Cb 0.58 0.28 -0.07 0.00 -2.36 0.00 0.00 39.78 38.21 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 2aas h TYR 25 N 0.97 -1.63 -0.92 -2.53 3.20 -1.68 -1.86 116.97 112.51 2aas h TYR 25 Ca 0.00 0.10 0.20 0.00 3.14 0.00 0.00 58.73 62.17 2aas h TYR 25 Cb 0.54 0.81 -0.07 0.00 1.54 0.00 0.00 36.73 39.54 2aas h TYR 25 CO 0.00 -0.43 0.60 0.00 -1.64 0.00 0.00 178.16 176.69 2aas h ASN 27 N 0.48 -0.30 0.04 0.00 4.21 -1.62 0.27 115.58 118.67 2aas h ASN 27 Ca 0.48 0.06 -0.28 0.00 1.21 0.00 0.00 56.30 57.78 2aas h ASN 27 Cb 1.10 0.15 0.02 0.00 -1.12 0.00 0.00 38.32 38.47 2aas h ASN 27 CO -0.21 -0.13 -1.11 1.56 -1.29 0.00 0.00 177.43 176.26 2aas h GLN 28 N -0.12 0.68 -0.33 0.81 4.20 -1.55 -3.31 115.11 115.49 2aas h GLN 28 Ca 0.07 -0.78 -0.18 0.00 0.06 0.00 0.00 58.65 57.82 2aas h GLN 28 Cb 0.22 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 2aas h GLN 28 CO -0.17 1.35 -0.48 1.98 -0.67 0.00 0.00 178.83 180.84 2aas h MET 29 N 0.36 0.90 0.00 1.46 4.05 -0.81 -1.60 114.93 119.29 2aas h MET 29 Ca -0.15 -0.53 0.00 0.00 -0.28 0.00 0.00 59.70 58.74 2aas h MET 29 Cb 1.76 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.61 2aas h MET 29 CO 0.22 1.17 0.00 1.98 0.23 0.00 0.00 176.91 180.51 2aas h MET 30 N 0.71 0.00 0.04 0.39 -1.53 -0.61 -1.23 114.93 112.70 2aas h MET 30 Ca 0.03 0.00 -0.27 0.00 -3.44 0.00 0.00 59.70 56.03 2aas h MET 30 Cb 1.08 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.11 2aas h MET 30 CO 0.11 0.00 -1.44 0.87 0.14 0.00 0.00 176.91 176.59 2aas h LYS 31 N 0.00 0.09 -0.79 0.39 1.57 -1.56 -3.04 116.57 113.23 2aas h LYS 31 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2aas h LYS 31 Cb 0.11 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2aas h LYS 31 CO 0.00 1.07 0.50 0.66 -0.57 0.00 0.00 179.45 181.11 2aas h SER 32 N -0.67 0.92 -2.28 0.86 4.64 -1.02 -2.96 113.55 113.04 2aas h SER 32 Ca -0.36 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.36 2aas h SER 32 Cb 1.52 -0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 2aas h SER 32 CO -0.11 0.69 1.04 -0.13 -0.87 0.00 0.00 176.83 177.45 2aas s ARG 33 N -6.05 3.22 0.00 4.77 1.81 -0.49 -4.93 118.95 117.28 2aas s ARG 33 Ca -0.13 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.47 2aas s ARG 33 Cb 0.15 -4.30 0.00 0.00 -0.45 0.00 0.00 34.95 30.35 2aas s ARG 33 CO 0.79 -2.11 0.00 0.09 -0.68 0.00 0.00 175.30 173.39 2aas n ASN 34 N 9.10 0.00 -0.25 0.23 3.02 -1.12 -4.20 115.26 122.04 2aas n ASN 34 Ca 0.05 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.57 2aas n ASN 34 Cb 0.49 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.79 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 0.61 1.00 -1.43 3.41 3.38 -1.80 -3.10 115.31 117.37 2aas h LEU 35 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2aas h LEU 35 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2aas h LEU 35 CO 0.00 0.85 0.00 0.35 0.09 0.00 0.00 178.44 179.73 2aas n THR 36 N -4.31 0.04 0.85 0.22 -2.24 -1.15 -4.55 114.28 103.14 2aas n THR 36 Ca 0.07 -0.38 0.08 0.00 -2.27 0.00 0.00 64.05 61.55 2aas n THR 36 Cb 0.15 0.92 0.43 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.72 0.34 0.05 -0.78 4.01 -1.17 -3.02 118.16 118.30 2aas n LYS 37 Ca 0.17 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 58.05 2aas n LYS 37 Cb 0.46 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 2aas n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2aas n ASP 38 N -1.17 0.82 -4.32 4.39 -0.08 -1.26 -5.07 116.55 109.86 2aas n ASP 38 Ca 0.09 0.14 -0.21 0.00 -1.51 0.00 0.00 54.79 53.31 2aas n ASP 38 Cb 0.10 -0.22 -0.11 0.00 2.34 0.00 0.00 41.12 43.22 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2aas s ARG 39 N -2.00 1.23 -0.38 -0.67 3.03 -1.17 -5.05 118.95 113.94 2aas s ARG 39 Ca 0.00 -1.40 -0.29 0.00 2.03 0.00 0.00 55.73 56.08 2aas s ARG 39 Cb 0.00 -1.22 -0.00 0.00 -1.03 0.00 0.00 34.95 32.70 2aas s ARG 39 CO 0.00 0.24 1.55 0.00 -1.13 0.00 0.00 175.30 175.96 2aas s LYS 41 N 5.20 4.31 0.21 0.00 2.20 -1.26 -4.97 119.74 125.43 2aas s LYS 41 Ca 0.68 2.06 -0.09 0.00 -0.36 0.00 0.00 55.97 58.26 2aas s LYS 41 Cb -0.17 -3.34 0.30 0.00 -1.51 0.00 0.00 37.83 33.12 2aas s LYS 41 CO 0.33 -0.48 1.73 -1.35 -0.36 0.00 0.00 175.35 175.22 2aas h PRO 42 N 7.10 0.34 -2.13 4.03 0.11 -1.94 -3.43 132.00 136.08 2aas h PRO 42 Ca -0.41 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 2aas h PRO 42 Cb 1.20 -0.08 -0.21 0.00 0.11 0.00 0.00 31.00 32.03 2aas h PRO 42 CO 0.88 0.22 0.09 0.54 -0.21 0.00 0.00 178.00 179.51 2aas s VAL 43 N -6.09 0.00 0.27 3.15 0.11 -1.26 -0.71 120.40 115.87 2aas s VAL 43 Ca -0.13 -0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.75 2aas s VAL 43 Cb 0.18 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 2aas s VAL 43 CO 0.74 -0.01 0.58 0.54 -3.33 0.00 0.00 175.10 173.62 2aas s ASN 44 N -0.07 -0.08 -0.18 3.54 4.22 -0.82 -5.04 114.94 116.50 2aas s ASN 44 Ca -0.03 -0.87 0.01 0.00 -2.14 0.00 0.00 52.86 49.83 2aas s ASN 44 Cb -0.04 0.66 0.02 0.00 1.28 0.00 0.00 41.25 43.17 2aas s ASN 44 CO 0.03 -1.26 -0.18 -0.89 -2.04 0.00 0.00 177.10 172.77 2aas s THR 45 N -3.82 1.97 0.36 0.54 2.01 -1.26 -1.02 115.64 114.42 2aas s THR 45 Ca 0.19 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 2aas s THR 45 Cb -0.03 -1.82 -0.10 0.00 0.01 0.00 0.00 72.50 70.57 2aas s THR 45 CO 0.09 0.47 0.82 -0.36 -0.69 0.00 0.00 174.62 174.94 2aas s PHE 46 N 1.31 3.36 -0.23 4.92 0.08 0.91 -4.47 117.98 123.86 2aas s PHE 46 Ca 0.04 1.37 -0.00 0.00 0.12 0.00 0.00 56.93 58.45 2aas s PHE 46 Cb -0.14 -2.65 0.06 0.00 -0.57 0.00 0.00 43.02 39.72 2aas s PHE 46 CO -0.12 0.03 -0.02 0.08 -0.10 0.00 0.00 175.22 175.09 2aas s VAL 47 N -2.04 1.23 -0.38 -0.44 1.01 0.13 0.16 120.40 120.07 2aas s VAL 47 Ca 0.57 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2aas s VAL 47 Cb -0.10 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 2aas s VAL 47 CO 0.16 -0.16 2.94 1.41 0.00 0.00 0.00 175.10 179.45 2aas n HIS 48 N 4.78 1.30 -4.27 5.22 8.25 0.55 -1.33 115.22 129.72 2aas n HIS 48 Ca -0.11 -1.87 -0.15 0.00 -0.26 0.00 0.00 57.72 55.34 2aas n HIS 48 Cb 0.45 -1.43 -0.10 0.00 1.12 0.00 0.00 29.99 30.02 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 -1.17 1.22 0.70 -0.41 0.41 -1.26 -4.69 118.70 113.50 2aas s GLU 49 Ca 0.60 -1.62 -0.13 0.00 -0.41 0.00 0.00 54.97 53.42 2aas s GLU 49 Cb 0.37 -0.25 0.02 0.00 -1.78 0.00 0.00 34.13 32.49 2aas s GLU 49 CO -0.18 -0.20 1.09 -1.54 -0.49 0.00 0.00 175.26 173.95 2aas s SER 50 N -3.22 4.95 0.27 -0.19 1.04 -1.26 -3.67 113.70 111.62 2aas s SER 50 Ca 0.29 1.87 -0.02 0.00 0.48 0.00 0.00 55.95 58.58 2aas s SER 50 Cb 0.07 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 64.09 2aas s SER 50 CO 0.08 -1.73 1.87 0.25 0.98 0.00 0.00 173.24 174.69 2aas h LEU 51 N -0.47 1.02 -0.80 2.42 5.85 -1.99 -2.18 115.31 119.15 2aas h LEU 51 Ca -0.45 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.43 2aas h LEU 51 Cb 1.23 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.97 2aas h LEU 51 CO 0.54 0.63 0.38 0.00 -0.34 0.00 0.00 178.44 179.64 2aas h ALA 52 N 1.47 1.17 -0.46 1.25 0.00 -1.99 0.38 119.26 121.08 2aas h ALA 52 Ca 0.45 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.32 2aas h ALA 52 Cb 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2aas h ALA 52 CO -0.19 -0.14 -0.24 -0.44 0.00 0.00 0.00 179.25 178.24 2aas h ASP 53 N 0.55 0.98 0.99 0.00 3.32 -1.79 -2.85 116.42 117.61 2aas h ASP 53 Ca 0.44 -0.38 -0.20 0.00 0.02 0.00 0.00 57.03 56.91 2aas h ASP 53 Cb 0.63 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2aas h ASP 53 CO -0.37 1.16 -0.94 0.58 -1.72 0.00 0.00 179.24 177.95 2aas h VAL 54 N 0.82 1.66 -0.58 -1.35 2.07 -0.85 -2.85 116.25 115.16 2aas h VAL 54 Ca 0.10 -3.25 0.07 0.00 0.82 0.00 0.00 66.70 64.44 2aas h VAL 54 Cb 0.81 2.76 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 2aas h VAL 54 CO 0.07 0.92 0.39 1.56 0.02 0.00 0.00 177.57 180.53 2aas h GLN 55 N 0.00 0.50 0.00 1.57 4.20 -0.27 -0.95 115.11 120.15 2aas h GLN 55 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2aas h GLN 55 Cb 1.69 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.36 2aas h GLN 55 CO 0.12 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.61 2aas h ALA 56 N 1.69 1.00 0.01 3.87 0.00 -1.26 -1.76 119.26 122.81 2aas h ALA 56 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 2aas h ALA 56 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2aas h ALA 56 CO -0.07 0.00 -0.91 0.28 0.00 0.00 0.00 179.25 178.54 2aas h VAL 57 N 0.00 1.58 0.00 0.00 2.07 -1.24 -3.28 116.25 115.37 2aas h VAL 57 Ca 0.00 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.62 2aas h VAL 57 Cb 0.21 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2aas h VAL 57 CO 0.00 0.83 0.00 0.00 0.02 0.00 0.00 177.57 178.42 2aas n SER 59 N -2.14 2.67 0.00 0.00 3.41 -1.24 -4.93 113.62 111.39 2aas n SER 59 Ca -0.00 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 2aas n SER 59 Cb 0.07 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2aas n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aas n GLN 60 N -1.22 0.00 -3.89 4.33 6.02 -0.73 -4.99 117.38 116.89 2aas n GLN 60 Ca 0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.81 2aas n GLN 60 Cb 0.70 0.00 -0.14 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 0.44 3.13 0.12 -1.09 2.47 -0.32 -4.99 119.74 119.50 2aas s LYS 61 Ca 0.00 -0.80 -0.30 0.00 -1.56 0.00 0.00 55.97 53.31 2aas s LYS 61 Cb 0.00 -3.09 -0.07 0.00 -1.46 0.00 0.00 37.83 33.21 2aas s LYS 61 CO 0.00 -0.33 1.22 1.21 0.16 0.00 0.00 175.35 177.61 2aas s ASN 62 N 1.43 7.05 0.22 1.43 3.84 -1.26 -0.15 114.94 127.51 2aas s ASN 62 Ca 0.03 2.15 -0.00 0.00 0.21 0.00 0.00 52.86 55.25 2aas s ASN 62 Cb -0.16 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 37.91 2aas s ASN 62 CO -0.02 -0.44 0.12 0.68 -2.79 0.00 0.00 177.10 174.65 2aas s VAL 63 N 0.55 0.18 -0.11 -5.21 -7.23 0.39 -4.92 120.40 104.06 2aas s VAL 63 Ca 0.57 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 2aas s VAL 63 Cb -0.32 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 2aas s VAL 63 CO 0.33 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.32 2aas s ALA 64 N -4.01 3.80 0.59 1.32 0.00 -1.26 -2.28 121.76 119.91 2aas s ALA 64 Ca 0.39 -0.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.63 2aas s ALA 64 Cb 0.07 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 2aas s ALA 64 CO 0.13 0.50 1.10 0.00 0.00 0.00 0.00 175.76 177.49 2aas h LYS 66 N 0.71 0.00 0.00 0.00 1.57 -1.97 0.32 116.57 117.21 2aas h LYS 66 Ca -0.48 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2aas h LYS 66 Cb 1.25 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2aas h LYS 66 CO 0.56 0.00 0.00 -2.95 -0.57 0.00 0.00 179.45 176.49 2aas h ASN 67 N 0.00 0.00 0.00 0.86 -1.07 -2.05 -3.47 115.58 109.85 2aas h ASN 67 Ca 0.85 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.22 2aas h ASN 67 Cb 2.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.51 2aas h ASN 67 CO -0.76 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.35 2aas n GLY 68 N 0.82 0.87 3.73 9.14 0.00 0.11 -5.09 105.19 114.76 2aas n GLY 68 Ca 0.04 0.00 -0.42 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 -0.56 4.33 0.00 1.61 -0.21 -1.24 -4.75 119.66 118.83 2aas s GLN 69 Ca 0.00 2.12 0.19 0.00 0.02 0.00 0.00 55.36 57.69 2aas s GLN 69 Cb 0.00 -3.21 1.10 0.00 1.00 0.00 0.00 33.01 31.90 2aas s GLN 69 CO 0.00 -0.39 1.71 0.25 -2.12 0.00 0.00 175.29 174.74 2aas n THR 70 N 3.36 0.02 -1.58 -0.19 -2.24 -1.26 -0.02 114.28 112.37 2aas n THR 70 Ca 0.09 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.52 2aas n THR 70 Cb 0.42 -0.23 0.06 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.69 6.95 -4.56 3.42 6.94 -1.26 -4.60 115.26 121.47 2aas n ASN 71 Ca 0.14 -3.78 -0.30 0.00 -0.02 0.00 0.00 54.58 50.62 2aas n ASN 71 Cb 0.09 -0.82 -0.10 0.00 -2.36 0.00 0.00 39.78 36.59 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 -1.20 -0.09 -0.08 0.00 1.51 0.08 -0.46 117.35 117.11 2aas s TYR 73 Ca 0.21 0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 56.50 2aas s TYR 73 Cb -0.11 0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.72 2aas s TYR 73 CO 0.13 -0.05 -0.06 -1.14 -1.11 0.00 0.00 175.55 173.32 2aas s GLN 74 N 0.15 2.92 0.62 -0.62 0.74 0.79 -1.46 119.66 122.80 2aas s GLN 74 Ca -0.01 -0.53 -0.16 0.00 0.05 0.00 0.00 55.36 54.71 2aas s GLN 74 Cb -0.02 -2.66 -0.02 0.00 1.10 0.00 0.00 33.01 31.41 2aas s GLN 74 CO -0.00 0.60 1.10 -1.54 -0.55 0.00 0.00 175.29 174.90 2aas s SER 75 N -0.64 5.36 0.32 6.67 1.04 -0.80 -1.18 113.70 124.48 2aas s SER 75 Ca 0.10 2.01 0.26 0.00 0.48 0.00 0.00 55.95 58.80 2aas s SER 75 Cb -0.12 -2.55 0.96 0.00 0.10 0.00 0.00 66.02 64.41 2aas s SER 75 CO 0.02 -1.46 1.77 1.88 0.98 0.00 0.00 173.24 176.43 2aas h TYR 76 N 0.36 0.00 -4.25 5.02 0.05 -1.94 -3.44 116.97 112.77 2aas h TYR 76 Ca -0.47 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.00 2aas h TYR 76 Cb 1.25 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.89 2aas h TYR 76 CO 0.54 0.00 -0.25 -1.12 -1.05 0.00 0.00 178.16 176.28 2aas s SER 77 N -4.79 0.99 0.34 3.88 0.01 -1.26 -5.10 113.70 107.77 2aas s SER 77 Ca 0.05 -1.51 -0.26 0.00 1.31 0.00 0.00 55.95 55.54 2aas s SER 77 Cb 0.10 0.64 -0.10 0.00 0.21 0.00 0.00 66.02 66.86 2aas s SER 77 CO 0.50 -1.24 0.98 0.42 0.41 0.00 0.00 173.24 174.31 2aas s THR 78 N -3.18 4.02 0.02 1.44 -4.23 -1.26 -4.53 115.64 107.93 2aas s THR 78 Ca 0.32 1.67 0.05 0.00 -1.18 0.00 0.00 61.69 62.55 2aas s THR 78 Cb 0.00 -3.92 -0.02 0.00 1.34 0.00 0.00 72.50 69.91 2aas s THR 78 CO 0.21 0.12 -0.15 -0.04 -0.54 0.00 0.00 174.62 174.23 2aas s MET 79 N -2.12 1.06 -0.61 3.99 -1.94 0.53 -4.84 119.30 115.38 2aas s MET 79 Ca 0.52 -0.70 -0.26 0.00 -1.71 0.00 0.00 55.69 53.54 2aas s MET 79 Cb -0.21 -1.06 -0.03 0.00 2.01 0.00 0.00 34.83 35.54 2aas s MET 79 CO 0.26 0.27 1.95 0.45 -0.01 0.00 0.00 175.02 177.94 2aas s SER 80 N -0.87 5.13 0.11 3.03 0.15 -1.26 -1.91 113.70 118.08 2aas s SER 80 Ca 0.04 0.40 0.10 0.00 0.70 0.00 0.00 55.95 57.18 2aas s SER 80 Cb -0.07 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 2aas s SER 80 CO 0.01 -2.48 -0.23 0.27 1.20 0.00 0.00 173.24 172.00 2aas s ILE 81 N 9.61 2.46 -0.27 6.45 -5.25 0.06 -0.33 121.20 133.93 2aas s ILE 81 Ca 0.72 -1.58 0.01 0.00 -0.99 0.00 0.00 60.65 58.81 2aas s ILE 81 Cb -0.13 -2.08 0.08 0.00 2.95 0.00 0.00 42.46 43.28 2aas s ILE 81 CO 0.20 0.16 0.02 -0.89 -1.79 0.00 0.00 174.94 172.64 2aas s THR 82 N -1.03 1.42 -0.24 8.37 2.01 0.12 -1.17 115.64 125.12 2aas s THR 82 Ca 0.15 -1.44 -0.25 0.00 0.31 0.00 0.00 61.69 60.46 2aas s THR 82 Cb -0.10 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 2aas s THR 82 CO 0.07 -0.37 0.84 -1.81 -0.69 0.00 0.00 174.62 172.66 2aas s ASP 83 N 1.40 6.85 -0.37 3.53 1.01 0.21 -0.06 116.67 129.24 2aas s ASP 83 Ca 0.02 1.05 -0.08 0.00 0.71 0.00 0.00 52.55 54.25 2aas s ASP 83 Cb -0.18 -2.44 0.04 0.00 1.01 0.00 0.00 42.92 41.35 2aas s ASP 83 CO -0.12 -0.52 0.17 0.00 0.21 0.00 0.00 175.17 174.91 2aas s ARG 85 N 1.45 2.74 0.30 0.00 3.52 -0.26 -1.95 118.95 124.74 2aas s ARG 85 Ca 0.00 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 2aas s ARG 85 Cb -0.20 -2.22 -0.12 0.00 -1.56 0.00 0.00 34.95 30.85 2aas s ARG 85 CO 0.04 -0.01 1.55 -1.91 -0.81 0.00 0.00 175.30 174.16 2aas n GLU 86 N 4.04 2.60 -4.25 5.12 2.13 0.11 0.14 120.64 130.53 2aas n GLU 86 Ca -0.20 0.92 -0.23 0.00 0.66 0.00 0.00 57.16 58.31 2aas n GLU 86 Cb 0.52 -2.68 -0.07 0.00 0.27 0.00 0.00 31.44 29.48 2aas n GLU 86 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2aas s THR 87 N -0.20 3.65 0.29 6.31 -1.32 -0.65 -4.76 115.64 118.96 2aas s THR 87 Ca 0.63 -1.74 0.05 0.00 -1.21 0.00 0.00 61.69 59.41 2aas s THR 87 Cb -0.51 -2.93 0.29 0.00 -1.51 0.00 0.00 72.50 67.83 2aas s THR 87 CO 0.51 -0.32 1.72 1.23 -2.21 0.00 0.00 174.62 175.55 2aas h GLY 88 N 1.98 1.63 -2.56 6.08 0.00 -1.96 -2.42 103.07 105.82 2aas h GLY 88 Ca -0.45 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 2aas h GLY 88 CO 0.60 -0.21 0.04 -1.14 0.00 0.00 0.00 176.54 175.82 2aas n SER 89 N -4.96 4.21 -4.44 0.19 3.41 -1.26 -4.75 113.62 106.03 2aas n SER 89 Ca 0.23 -2.27 -0.44 0.00 -0.26 0.00 0.00 58.87 56.13 2aas n SER 89 Cb 0.64 -0.81 -0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 1.34 7.08 -0.71 4.04 0.15 -0.91 -4.18 113.70 120.50 2aas s SER 90 Ca 0.03 -3.02 -0.07 0.00 0.70 0.00 0.00 55.95 53.59 2aas s SER 90 Cb 0.02 -2.36 0.19 0.00 -1.71 0.00 0.00 66.02 62.16 2aas s SER 90 CO 0.00 -0.69 0.58 -1.59 1.20 0.00 0.00 173.24 172.75 2aas s LYS 91 N 1.12 3.00 -0.03 5.44 -2.85 -0.37 -4.74 119.74 121.31 2aas s LYS 91 Ca 0.39 -2.52 -0.40 0.00 -1.00 0.00 0.00 55.97 52.43 2aas s LYS 91 Cb -0.04 -4.02 -0.20 0.00 -2.06 0.00 0.00 37.83 31.51 2aas s LYS 91 CO -0.02 -1.22 1.15 0.98 0.10 0.00 0.00 175.35 176.33 2aas n TYR 92 N 3.65 0.83 0.49 1.78 9.36 -1.26 -0.16 117.16 131.84 2aas n TYR 92 Ca 0.11 1.02 0.13 0.00 3.32 0.00 0.00 57.90 62.47 2aas n TYR 92 Cb 0.41 -2.13 0.45 0.00 -0.63 0.00 0.00 39.34 37.44 2aas n TYR 92 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 2aas h PRO 93 N 3.36 0.00 -5.40 2.98 0.11 -1.96 -3.49 132.00 127.60 2aas h PRO 93 Ca -0.50 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.92 2aas h PRO 93 Cb 1.41 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.40 2aas h PRO 93 CO 0.69 0.00 1.67 1.21 -0.21 0.00 0.00 178.00 181.36 2aas s ASN 94 N -4.57 6.86 0.32 -2.05 2.47 0.77 -4.96 114.94 113.78 2aas s ASN 94 Ca 0.07 -2.49 -0.27 0.00 0.42 0.00 0.00 52.86 50.60 2aas s ASN 94 Cb 0.10 -2.49 -0.10 0.00 -1.45 0.00 0.00 41.25 37.31 2aas s ASN 94 CO 0.51 -1.05 0.99 0.00 -3.72 0.00 0.00 177.10 173.83 2aas s ALA 96 N -1.50 1.57 0.07 0.00 0.00 -1.26 -4.74 121.76 115.90 2aas s ALA 96 Ca 0.50 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.88 2aas s ALA 96 Cb -0.22 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 2aas s ALA 96 CO 0.28 0.19 -0.12 0.71 0.00 0.00 0.00 175.76 176.82 2aas s TYR 97 N 0.49 1.05 -0.24 0.00 2.02 -1.26 -1.64 117.35 117.77 2aas s TYR 97 Ca -0.15 -0.48 -0.21 0.00 -0.37 0.00 0.00 57.07 55.86 2aas s TYR 97 Cb -0.16 -0.60 -0.02 0.00 -0.40 0.00 0.00 41.96 40.78 2aas s TYR 97 CO 0.05 0.01 0.64 0.15 -1.57 0.00 0.00 175.55 174.83 2aas s LYS 98 N -1.77 4.13 -0.19 -0.62 1.02 0.12 -4.71 119.74 117.73 2aas s LYS 98 Ca -0.04 0.57 -0.09 0.00 0.02 0.00 0.00 55.97 56.44 2aas s LYS 98 Cb -0.10 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.53 2aas s LYS 98 CO 0.02 -0.38 0.10 0.99 -0.92 0.00 0.00 175.35 175.15 2aas s THR 99 N 2.41 5.12 -0.14 2.17 2.01 -1.24 -1.10 115.64 124.86 2aas s THR 99 Ca 0.27 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2aas s THR 99 Cb -0.16 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.06 2aas s THR 99 CO 0.09 0.46 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.47 2aas s THR 100 N 0.25 1.42 -0.48 -0.82 2.01 -0.11 -4.91 115.64 113.01 2aas s THR 100 Ca 0.06 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.34 2aas s THR 100 Cb -0.12 -1.36 0.05 0.00 0.01 0.00 0.00 72.50 71.09 2aas s THR 100 CO -0.01 0.43 0.54 -1.58 -0.69 0.00 0.00 174.62 173.32 2aas s GLN 101 N 1.52 3.09 -0.00 4.92 -0.44 -1.26 -0.62 119.66 126.87 2aas s GLN 101 Ca 0.04 -0.97 0.06 0.00 -2.50 0.00 0.00 55.36 52.00 2aas s GLN 101 Cb -0.13 -4.08 -0.02 0.00 -1.64 0.00 0.00 33.01 27.14 2aas s GLN 101 CO -0.10 -1.11 -0.19 0.00 0.50 0.00 0.00 175.29 174.39 2aas s ALA 102 N 2.32 1.58 -0.57 1.58 0.00 -0.32 -5.02 121.76 121.34 2aas s ALA 102 Ca 0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2aas s ALA 102 Cb -0.20 -0.38 0.15 0.00 0.00 0.00 0.00 23.12 22.69 2aas s ALA 102 CO 0.11 0.38 0.40 -0.80 0.00 0.00 0.00 175.76 175.85 2aas s ASN 103 N -0.59 5.47 0.18 0.00 0.01 -1.26 -0.76 114.94 117.99 2aas s ASN 103 Ca 0.07 -2.48 0.04 0.00 -0.71 0.00 0.00 52.86 49.78 2aas s ASN 103 Cb -0.08 -1.91 -0.05 0.00 0.41 0.00 0.00 41.25 39.63 2aas s ASN 103 CO -0.00 -0.49 -0.05 -0.54 -1.51 0.00 0.00 177.10 174.52 2aas s LYS 104 N 0.49 1.18 0.47 -0.60 1.02 -0.80 -4.73 119.74 116.76 2aas s LYS 104 Ca 0.13 -1.55 -0.22 0.00 0.02 0.00 0.00 55.97 54.35 2aas s LYS 104 Cb -0.21 -0.56 -0.08 0.00 -0.52 0.00 0.00 37.83 36.46 2aas s LYS 104 CO -0.04 -0.03 1.11 -1.01 -0.92 0.00 0.00 175.35 174.47 2aas s HIS 105 N -3.42 2.95 -0.01 3.18 3.76 -1.26 -0.35 115.29 120.14 2aas s HIS 105 Ca 0.22 1.57 0.07 0.00 -0.15 0.00 0.00 55.06 56.78 2aas s HIS 105 Cb 0.04 -3.25 -0.02 0.00 1.11 0.00 0.00 32.58 30.46 2aas s HIS 105 CO 0.04 -1.20 -0.24 0.96 -0.85 0.00 0.00 174.74 173.46 2aas s ILE 106 N -1.69 1.88 -0.23 0.60 -4.36 -1.26 0.20 121.20 116.35 2aas s ILE 106 Ca 0.65 -1.04 -0.04 0.00 -0.26 0.00 0.00 60.65 59.95 2aas s ILE 106 Cb -0.24 -1.57 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 2aas s ILE 106 CO 0.29 0.52 -0.02 -0.63 0.24 0.00 0.00 174.94 175.34 2aas s ILE 107 N -0.58 3.54 0.02 8.37 1.01 0.13 -1.90 121.20 131.79 2aas s ILE 107 Ca 0.09 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.31 2aas s ILE 107 Cb -0.09 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 2aas s ILE 107 CO -0.01 0.36 -0.19 0.68 0.00 0.00 0.00 174.94 175.78 2aas s VAL 108 N 1.49 2.70 -0.19 2.92 -7.23 -0.53 -1.04 120.40 118.52 2aas s VAL 108 Ca 0.05 -1.13 -0.22 0.00 -1.81 0.00 0.00 61.98 58.88 2aas s VAL 108 Cb -0.15 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2aas s VAL 108 CO -0.02 0.40 0.66 0.00 -0.31 0.00 0.00 175.10 175.84 2aas s ALA 109 N -0.85 3.53 0.04 1.32 0.00 0.49 -0.74 121.76 125.55 2aas s ALA 109 Ca 0.13 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 51.98 2aas s ALA 109 Cb -0.10 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2aas s ALA 109 CO 0.04 -0.54 -0.25 0.00 0.00 0.00 0.00 175.76 175.01 2aas s GLU 111 N -1.18 1.33 0.37 0.00 2.02 -0.39 -4.86 118.70 115.99 2aas s GLU 111 Ca 0.10 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.22 2aas s GLU 111 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.64 2aas s GLU 111 CO 0.02 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.15 2aas n GLY 112 N -0.32 -2.26 2.98 -1.39 0.00 -1.26 -0.90 105.19 102.03 2aas n GLY 112 Ca -0.10 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.23 0.42 0.62 1.61 2.47 -1.26 -3.75 114.94 111.83 2aas s ASN 113 Ca 0.00 0.42 -0.16 0.00 0.42 0.00 0.00 52.86 53.54 2aas s ASN 113 Cb 0.00 0.84 -0.02 0.00 -1.45 0.00 0.00 41.25 40.62 2aas s ASN 113 CO 0.00 -0.27 1.11 -2.16 -3.72 0.00 0.00 177.10 172.06 2aas s PRO 114 N 2.46 3.01 0.12 0.43 0.04 -1.26 -5.07 135.00 134.74 2aas s PRO 114 Ca 0.04 1.44 -0.31 0.00 0.04 0.00 0.00 61.00 62.22 2aas s PRO 114 Cb -0.13 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 2aas s PRO 114 CO -0.12 -1.09 1.74 -0.47 0.04 0.00 0.00 177.00 177.10 2aas s TYR 115 N -2.17 2.42 -0.02 0.56 5.04 -1.25 -5.00 117.35 116.93 2aas s TYR 115 Ca 0.68 0.19 0.03 0.00 -2.44 0.00 0.00 57.07 55.54 2aas s TYR 115 Cb -0.21 -4.08 -0.00 0.00 0.35 0.00 0.00 41.96 38.01 2aas s TYR 115 CO 0.37 -4.35 -0.11 0.14 -1.34 0.00 0.00 175.55 170.26 2aas s VAL 116 N 2.36 0.88 -0.02 3.14 -7.23 -0.08 -4.93 120.40 114.51 2aas s VAL 116 Ca 0.77 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 60.19 2aas s VAL 116 Cb -0.44 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 2aas s VAL 116 CO 0.34 0.26 1.49 -2.84 -0.31 0.00 0.00 175.10 174.04 2aas s PRO 117 N -0.10 4.24 -0.14 4.82 0.02 -1.26 -1.26 135.00 141.32 2aas s PRO 117 Ca 0.01 2.04 0.12 0.00 0.02 0.00 0.00 61.00 63.20 2aas s PRO 117 Cb -0.06 -3.70 -0.17 0.00 0.02 0.00 0.00 34.50 30.59 2aas s PRO 117 CO -0.00 -0.68 0.04 1.33 -0.33 0.00 0.00 177.00 177.36 2aas n VAL 118 N 4.96 0.95 -3.87 3.83 0.24 0.18 -4.34 118.33 120.27 2aas n VAL 118 Ca 0.15 -0.58 -0.11 0.00 -2.04 0.00 0.00 64.34 61.75 2aas n VAL 118 Cb 0.43 -0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 32.04 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 -2.33 -0.00 -0.13 6.34 5.65 -1.11 -3.32 115.29 120.37 2aas s HIS 119 Ca -0.07 0.02 -0.05 0.00 0.25 0.00 0.00 55.06 55.20 2aas s HIS 119 Cb 0.04 -0.03 -0.04 0.00 -1.18 0.00 0.00 32.58 31.38 2aas s HIS 119 CO 0.56 -0.16 0.04 0.12 -0.65 0.00 0.00 174.74 174.65 2aas s PHE 120 N -0.71 3.26 0.00 3.88 2.19 -1.26 -0.38 117.98 124.96 2aas s PHE 120 Ca -0.08 0.17 0.00 0.00 0.33 0.00 0.00 56.93 57.35 2aas s PHE 120 Cb -0.05 -1.93 0.00 0.00 -1.31 0.00 0.00 43.02 39.73 2aas s PHE 120 CO 0.00 0.36 0.00 -3.47 1.83 0.00 0.00 175.22 173.95 2aas n ASP 121 N 2.73 0.00 -3.84 6.13 2.03 -0.20 -4.93 116.55 118.47 2aas n ASP 121 Ca -0.18 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.02 2aas n ASP 121 Cb 0.53 -0.20 -0.09 0.00 -0.72 0.00 0.00 41.12 40.64 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 -3.07 -0.42 -0.19 -1.67 0.00 -1.20 -5.03 121.76 110.18 2aas s ALA 122 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 2aas s ALA 122 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2aas s ALA 122 CO 0.00 -0.29 0.04 0.45 0.00 0.00 0.00 175.76 175.96 2aas s SER 123 N -1.71 5.35 0.00 0.00 0.15 -1.26 -0.69 113.70 115.54 2aas s SER 123 Ca -0.10 -0.02 0.24 0.00 0.70 0.00 0.00 55.95 56.78 2aas s SER 123 Cb -0.04 -1.92 0.24 0.00 -1.71 0.00 0.00 66.02 62.60 2aas s SER 123 CO -0.01 0.14 1.29 0.52 1.20 0.00 0.00 173.24 176.38