#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 3.69 0.34 1.97 2.12 -1.26 -4.97 118.70 120.59 2aas s GLU 2 Ca 0.00 -1.90 -0.02 0.00 0.36 0.00 0.00 54.97 53.41 2aas s GLU 2 Cb 0.00 -4.96 -0.04 0.00 0.26 0.00 0.00 34.13 29.39 2aas s GLU 2 CO 0.00 -1.78 0.58 0.95 -0.54 0.00 0.00 175.26 174.47 2aas s THR 3 N 2.54 5.05 0.00 -1.70 -4.23 -1.26 -3.95 115.64 112.09 2aas s THR 3 Ca 0.35 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 2aas s THR 3 Cb -0.04 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.99 2aas s THR 3 CO -0.08 -0.50 0.00 0.00 -0.54 0.00 0.00 174.62 173.50 2aas n ALA 4 N -1.50 0.00 -0.21 3.99 0.00 -1.26 -0.53 120.51 121.00 2aas n ALA 4 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 2aas n ALA 4 Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.02 2aas n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aas h ALA 5 N 0.00 0.78 -0.43 0.00 0.00 -1.76 -0.74 119.26 117.12 2aas h ALA 5 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2aas h ALA 5 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2aas h ALA 5 CO 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 179.25 179.64 2aas h ALA 6 N 1.02 0.99 -0.41 0.00 0.00 -1.13 -1.32 119.26 118.40 2aas h ALA 6 Ca 0.18 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2aas h ALA 6 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2aas h ALA 6 CO 0.01 0.60 -0.07 -0.22 0.00 0.00 0.00 179.25 179.56 2aas h LYS 7 N 0.70 0.78 -0.19 0.00 3.64 -1.12 -0.20 116.57 120.18 2aas h LYS 7 Ca 0.12 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2aas h LYS 7 Cb 0.60 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 2aas h LYS 7 CO 0.04 0.90 -0.23 0.35 -2.27 0.00 0.00 179.45 178.24 2aas h PHE 8 N 0.60 -0.60 -0.37 1.91 3.04 -0.84 -0.81 116.94 119.88 2aas h PHE 8 Ca 0.11 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.16 2aas h PHE 8 Cb 0.59 0.29 -0.07 0.00 2.56 0.00 0.00 35.95 39.33 2aas h PHE 8 CO 0.05 -0.31 -0.07 0.93 -2.02 0.00 0.00 178.31 176.89 2aas h GLU 9 N -0.26 0.02 0.36 1.11 5.08 -0.93 0.69 114.58 120.66 2aas h GLU 9 Ca 0.12 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2aas h GLU 9 Cb 0.44 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2aas h GLU 9 CO -0.34 0.01 -0.46 -0.09 -1.00 0.00 0.00 179.01 177.13 2aas h ARG 10 N 0.02 -0.83 -0.56 2.33 1.12 -0.88 -1.56 114.38 114.02 2aas h ARG 10 Ca 0.18 0.06 -0.07 0.00 -1.11 0.00 0.00 59.98 59.03 2aas h ARG 10 Cb 0.27 0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.39 2aas h ARG 10 CO -0.37 -0.55 0.06 1.96 -3.11 0.00 0.00 179.97 177.96 2aas h GLN 11 N -0.86 0.92 0.00 0.20 4.20 -0.86 -3.41 115.11 115.30 2aas h GLN 11 Ca -0.03 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.33 2aas h GLN 11 Cb 0.78 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 2aas h GLN 11 CO -0.12 0.88 -1.38 0.72 -0.67 0.00 0.00 178.83 178.26 2aas n HIS 12 N -4.22 0.00 -2.48 2.96 8.25 0.21 -4.42 115.22 115.53 2aas n HIS 12 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 2aas n HIS 12 Cb 0.29 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.13 4.38 -0.18 -0.41 -1.94 -0.59 0.52 119.30 118.95 2aas s MET 13 Ca -0.09 1.66 0.22 0.00 -1.71 0.00 0.00 55.69 55.77 2aas s MET 13 Cb 0.03 -3.51 0.48 0.00 2.01 0.00 0.00 34.83 33.84 2aas s MET 13 CO 0.13 -0.38 1.14 -0.25 -0.01 0.00 0.00 175.02 175.65 2aas n ASP 14 N 4.87 1.73 -0.29 3.03 8.00 -0.02 -4.90 116.55 128.96 2aas n ASP 14 Ca 0.10 -2.28 0.24 0.00 0.71 0.00 0.00 54.79 53.56 2aas n ASP 14 Cb 0.47 -0.42 0.55 0.00 -0.02 0.00 0.00 41.12 41.71 2aas n ASP 14 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2aas h SER 15 N 2.01 0.35 -0.55 -2.24 0.87 -1.74 -0.01 113.55 112.24 2aas h SER 15 Ca -0.11 0.06 0.12 0.00 -1.23 0.00 0.00 61.79 60.62 2aas h SER 15 Cb 1.47 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.40 2aas h SER 15 CO 0.20 0.09 0.38 0.77 -0.53 0.00 0.00 176.83 177.74 2aas h SER 16 N 0.32 0.20 -3.30 6.23 4.64 -1.92 -3.39 113.55 116.33 2aas h SER 16 Ca 0.54 0.01 -0.66 0.00 -0.47 0.00 0.00 61.79 61.21 2aas h SER 16 Cb 1.52 -0.04 -0.29 0.00 -0.31 0.00 0.00 62.40 63.29 2aas h SER 16 CO -0.21 0.12 -0.79 0.42 -0.87 0.00 0.00 176.83 175.50 2aas s THR 17 N -5.22 2.81 -0.47 2.95 -4.23 -0.02 -5.02 115.64 106.44 2aas s THR 17 Ca -0.06 -0.73 0.26 0.00 -1.18 0.00 0.00 61.69 59.98 2aas s THR 17 Cb 0.20 -2.19 0.29 0.00 1.34 0.00 0.00 72.50 72.14 2aas s THR 17 CO 0.74 0.51 1.76 0.28 -0.54 0.00 0.00 174.62 177.37 2aas h SER 18 N 7.15 0.00 -4.69 3.99 0.02 -1.80 -3.44 113.55 114.79 2aas h SER 18 Ca -0.31 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2aas h SER 18 Cb 1.20 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.55 2aas h SER 18 CO 0.56 0.00 0.33 0.00 -1.14 0.00 0.00 176.83 176.59 2aas s ALA 19 N -3.29 -1.80 -0.77 3.77 0.00 -1.26 -4.82 121.76 113.58 2aas s ALA 19 Ca 0.06 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 2aas s ALA 19 Cb 0.10 -0.07 -0.11 0.00 0.00 0.00 0.00 23.12 23.05 2aas s ALA 19 CO 0.50 -0.43 2.29 0.00 0.00 0.00 0.00 175.76 178.12 2aas s ALA 20 N -1.68 1.05 -1.24 0.00 0.00 -1.26 -4.83 121.76 113.80 2aas s ALA 20 Ca -0.05 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.15 2aas s ALA 20 Cb -0.00 -4.54 0.40 0.00 0.00 0.00 0.00 23.12 18.98 2aas s ALA 20 CO 0.03 -5.45 1.20 -1.13 0.00 0.00 0.00 175.76 170.41 2aas n SER 21 N 17.17 0.00 -3.91 0.00 3.41 -1.26 -4.68 113.62 124.36 2aas n SER 21 Ca 0.43 0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 59.25 2aas n SER 21 Cb 0.46 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.76 0.07 0.20 4.04 0.15 -1.26 -5.02 113.70 109.12 2aas s SER 22 Ca 0.06 -0.18 0.14 0.00 0.70 0.00 0.00 55.95 56.67 2aas s SER 22 Cb 0.06 0.12 0.74 0.00 -1.71 0.00 0.00 66.02 65.22 2aas s SER 22 CO 0.14 -0.18 1.41 -1.54 1.20 0.00 0.00 173.24 174.27 2aas n SER 23 N 2.23 0.35 -0.20 5.45 3.41 -1.26 -1.50 113.62 122.11 2aas n SER 23 Ca -0.18 0.66 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 2aas n SER 23 Cb 0.57 -0.71 0.14 0.00 -0.26 0.00 0.00 64.21 63.95 2aas n SER 23 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2aas n ASN 24 N -1.97 2.08 -0.11 4.04 0.23 -1.26 -3.20 115.26 115.06 2aas n ASN 24 Ca -0.01 -3.13 -0.05 0.00 -0.53 0.00 0.00 54.58 50.86 2aas n ASN 24 Cb 0.02 -0.43 0.01 0.00 -2.08 0.00 0.00 39.78 37.31 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2aas h TYR 25 N 0.17 -0.27 -0.81 -2.53 3.20 -1.64 -2.42 116.97 112.66 2aas h TYR 25 Ca -0.00 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.04 2aas h TYR 25 Cb 1.04 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 39.43 2aas h TYR 25 CO 0.12 -0.20 0.53 0.00 -1.64 0.00 0.00 178.16 176.98 2aas h ASN 27 N 0.59 -0.80 -0.00 0.00 4.21 -1.73 0.14 115.58 118.00 2aas h ASN 27 Ca 0.40 0.11 -0.14 0.00 1.21 0.00 0.00 56.30 57.88 2aas h ASN 27 Cb 0.70 0.33 0.01 0.00 -1.12 0.00 0.00 38.32 38.24 2aas h ASN 27 CO -0.16 -0.33 -0.54 1.56 -1.29 0.00 0.00 177.43 176.67 2aas h GLN 28 N -0.40 0.37 -0.54 0.81 7.50 -1.67 -3.33 115.11 117.86 2aas h GLN 28 Ca 0.07 -0.40 0.02 0.00 0.50 0.00 0.00 58.65 58.84 2aas h GLN 28 Cb 0.49 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.10 2aas h GLN 28 CO -0.24 1.07 0.34 1.98 -1.50 0.00 0.00 178.83 180.48 2aas h MET 29 N -0.16 0.66 -0.98 1.46 4.05 -1.06 -2.10 114.93 116.79 2aas h MET 29 Ca -0.07 -0.04 0.21 0.00 -0.28 0.00 0.00 59.70 59.52 2aas h MET 29 Cb 1.26 -0.15 -0.09 0.00 -0.80 0.00 0.00 31.60 31.82 2aas h MET 29 CO 0.11 0.44 0.62 0.52 0.23 0.00 0.00 176.91 178.82 2aas h MET 30 N 0.68 0.55 0.15 0.39 2.86 -0.83 -2.80 114.93 115.92 2aas h MET 30 Ca 0.21 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2aas h MET 30 Cb -0.02 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.52 2aas h MET 30 CO -0.07 0.36 -0.07 0.87 1.06 0.00 0.00 176.91 179.06 2aas h LYS 31 N 0.56 -0.20 0.00 1.72 1.57 -1.49 -3.19 116.57 115.55 2aas h LYS 31 Ca 0.55 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.32 2aas h LYS 31 Cb 1.13 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2aas h LYS 31 CO -0.29 0.14 -0.08 0.66 -0.57 0.00 0.00 179.45 179.30 2aas h SER 32 N -0.56 0.00 -0.31 0.86 4.64 -1.39 -2.52 113.55 114.28 2aas h SER 32 Ca -0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 2aas h SER 32 Cb 0.43 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 2aas h SER 32 CO 0.03 0.08 0.10 0.54 -0.87 0.00 0.00 176.83 176.71 2aas n ARG 33 N -4.27 2.28 0.00 4.77 5.12 -1.13 -4.90 116.66 118.53 2aas n ARG 33 Ca -0.03 -1.32 0.00 0.00 -1.93 0.00 0.00 57.85 54.57 2aas n ARG 33 Cb 0.16 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 2aas n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2aas n ASN 34 N 0.11 0.00 -0.15 0.55 5.15 -0.95 -4.63 115.26 115.34 2aas n ASN 34 Ca 0.16 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.26 2aas n ASN 34 Cb 0.77 -0.97 0.46 0.00 -0.53 0.00 0.00 39.78 39.51 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2aas h LEU 35 N 0.00 0.46 -3.20 1.20 3.38 -1.75 -2.46 115.31 112.95 2aas h LEU 35 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2aas h LEU 35 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2aas h LEU 35 CO 0.00 0.27 0.00 0.35 0.09 0.00 0.00 178.44 179.15 2aas n THR 36 N -4.49 2.12 0.27 0.22 -2.24 -1.24 -4.24 114.28 104.68 2aas n THR 36 Ca 0.12 -1.79 0.11 0.00 -2.27 0.00 0.00 64.05 60.23 2aas n THR 36 Cb 0.40 -0.16 0.74 0.00 -2.10 0.00 0.00 70.33 69.21 2aas n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2aas h LYS 37 N 1.75 0.00 0.00 -0.78 1.63 -1.72 -3.34 116.57 114.10 2aas h LYS 37 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2aas h LYS 37 Cb 1.34 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2aas h LYS 37 CO 0.19 0.08 -0.28 -0.25 -3.45 0.00 0.00 179.45 175.73 2aas n ASP 38 N -3.95 1.11 -4.44 4.20 9.92 -1.26 -5.07 116.55 117.06 2aas n ASP 38 Ca -0.02 0.15 -0.27 0.00 -0.53 0.00 0.00 54.79 54.12 2aas n ASP 38 Cb 0.17 -0.36 -0.12 0.00 -0.64 0.00 0.00 41.12 40.17 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aas s ARG 39 N -2.12 1.56 -0.54 -1.24 3.03 -1.25 -4.93 118.95 113.45 2aas s ARG 39 Ca -0.04 -1.51 -0.28 0.00 2.03 0.00 0.00 55.73 55.92 2aas s ARG 39 Cb 0.01 -1.87 0.03 0.00 -1.03 0.00 0.00 34.95 32.09 2aas s ARG 39 CO 0.06 0.40 1.21 0.00 -1.13 0.00 0.00 175.30 175.84 2aas s LYS 41 N 4.87 4.18 0.17 0.00 2.20 -1.26 -4.93 119.74 124.97 2aas s LYS 41 Ca 0.46 2.29 -0.16 0.00 -0.36 0.00 0.00 55.97 58.20 2aas s LYS 41 Cb -0.08 -3.89 0.11 0.00 -1.51 0.00 0.00 37.83 32.46 2aas s LYS 41 CO 0.28 -0.82 1.71 -1.35 -0.36 0.00 0.00 175.35 174.80 2aas h PRO 42 N 9.30 0.15 -3.35 4.03 0.11 -1.94 -3.44 132.00 136.87 2aas h PRO 42 Ca -0.42 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.47 2aas h PRO 42 Cb 1.19 -0.03 -0.29 0.00 0.11 0.00 0.00 31.00 31.98 2aas h PRO 42 CO 0.94 0.10 -0.58 0.54 -0.21 0.00 0.00 178.00 178.79 2aas s VAL 43 N -6.17 -0.02 0.25 3.15 0.11 -1.26 -1.03 120.40 115.43 2aas s VAL 43 Ca -0.13 0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 58.80 2aas s VAL 43 Cb 0.14 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.80 2aas s VAL 43 CO 0.71 0.03 0.63 0.21 -3.33 0.00 0.00 175.10 173.35 2aas s ASN 44 N 0.52 -0.26 -0.04 3.54 2.47 -0.30 -5.04 114.94 115.83 2aas s ASN 44 Ca -0.04 -0.59 0.01 0.00 0.42 0.00 0.00 52.86 52.67 2aas s ASN 44 Cb -0.05 0.66 0.02 0.00 -1.45 0.00 0.00 41.25 40.43 2aas s ASN 44 CO -0.02 -1.22 -0.05 -0.89 -3.72 0.00 0.00 177.10 171.20 2aas s THR 45 N -3.91 0.59 0.17 -5.21 2.01 -1.26 -0.10 115.64 107.93 2aas s THR 45 Ca 0.12 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 2aas s THR 45 Cb -0.04 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 2aas s THR 45 CO 0.04 0.23 0.39 -0.36 -0.69 0.00 0.00 174.62 174.23 2aas s PHE 46 N 0.83 3.48 -0.21 4.92 0.08 0.17 -4.15 117.98 123.10 2aas s PHE 46 Ca -0.12 0.50 -0.00 0.00 0.12 0.00 0.00 56.93 57.42 2aas s PHE 46 Cb -0.14 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.40 2aas s PHE 46 CO 0.01 0.40 -0.03 0.08 -0.10 0.00 0.00 175.22 175.57 2aas s VAL 47 N -1.75 1.17 -0.11 -0.44 1.01 0.19 0.51 120.40 120.97 2aas s VAL 47 Ca 0.40 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2aas s VAL 47 Cb -0.12 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 2aas s VAL 47 CO 0.26 -0.07 2.73 1.41 0.00 0.00 0.00 175.10 179.43 2aas n HIS 48 N 4.82 0.45 -4.33 5.22 8.25 -0.10 -0.84 115.22 128.68 2aas n HIS 48 Ca -0.11 -1.46 -0.17 0.00 -0.26 0.00 0.00 57.72 55.71 2aas n HIS 48 Cb 0.46 -1.11 -0.10 0.00 1.12 0.00 0.00 29.99 30.36 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 -0.13 1.31 0.79 -0.41 0.41 -1.26 -4.58 118.70 114.84 2aas s GLU 49 Ca 0.38 -1.64 -0.10 0.00 -0.41 0.00 0.00 54.97 53.19 2aas s GLU 49 Cb 0.21 -0.73 0.07 0.00 -1.78 0.00 0.00 34.13 31.90 2aas s GLU 49 CO -0.03 -0.03 1.10 -1.54 -0.49 0.00 0.00 175.26 174.27 2aas s SER 50 N -3.30 4.28 0.23 -0.19 1.04 -1.26 -3.53 113.70 110.96 2aas s SER 50 Ca 0.26 1.86 -0.09 0.00 0.48 0.00 0.00 55.95 58.46 2aas s SER 50 Cb 0.04 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.84 2aas s SER 50 CO 0.07 -2.18 1.90 0.25 0.98 0.00 0.00 173.24 174.26 2aas h LEU 51 N -1.23 0.98 -0.56 2.42 5.85 -1.99 -2.56 115.31 118.21 2aas h LEU 51 Ca -0.44 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.37 2aas h LEU 51 Cb 1.24 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 2aas h LEU 51 CO 0.50 0.71 0.07 0.00 -0.34 0.00 0.00 178.44 179.38 2aas h ALA 52 N 1.32 0.61 -0.82 1.25 0.00 -1.99 0.26 119.26 119.88 2aas h ALA 52 Ca 0.31 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.37 2aas h ALA 52 Cb -0.13 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2aas h ALA 52 CO -0.07 -0.34 0.54 -0.44 0.00 0.00 0.00 179.25 178.94 2aas h ASP 53 N 0.20 0.95 0.72 0.00 3.32 -1.86 -2.00 116.42 117.75 2aas h ASP 53 Ca 0.29 -0.03 -0.26 0.00 0.02 0.00 0.00 57.03 57.06 2aas h ASP 53 Cb 0.43 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2aas h ASP 53 CO -0.41 0.69 -1.32 0.58 -1.72 0.00 0.00 179.24 177.05 2aas h VAL 54 N 1.12 1.34 -0.84 -1.35 2.07 -0.87 -2.95 116.25 114.77 2aas h VAL 54 Ca 0.30 -3.07 0.14 0.00 0.82 0.00 0.00 66.70 64.89 2aas h VAL 54 Cb -0.12 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 2aas h VAL 54 CO -0.06 0.81 0.55 1.56 0.02 0.00 0.00 177.57 180.44 2aas h GLN 55 N 0.02 0.59 0.00 1.57 4.20 -0.32 -0.99 115.11 120.18 2aas h GLN 55 Ca -0.14 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2aas h GLN 55 Cb 1.90 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.55 2aas h GLN 55 CO 0.13 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 2aas h ALA 56 N 1.61 1.00 0.06 3.87 0.00 -1.19 -1.67 119.26 122.95 2aas h ALA 56 Ca 0.41 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.08 2aas h ALA 56 Cb 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2aas h ALA 56 CO -0.17 0.00 -1.07 0.28 0.00 0.00 0.00 179.25 178.29 2aas h VAL 57 N 0.00 1.48 0.00 0.00 2.07 -1.20 -3.29 116.25 115.31 2aas h VAL 57 Ca 0.00 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.69 2aas h VAL 57 Cb 0.15 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 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 -2.59 2.80 0.00 0.00 7.64 -1.24 -4.91 113.62 115.32 2aas n SER 59 Ca -0.02 -3.23 0.00 0.00 1.01 0.00 0.00 58.87 56.63 2aas n SER 59 Cb 0.05 -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 -0.64 0.00 -4.17 1.43 6.02 -0.55 -5.05 117.38 114.42 2aas n GLN 60 Ca 0.24 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.97 2aas n GLN 60 Cb 0.88 -0.12 -0.17 0.00 1.02 0.00 0.00 30.24 31.85 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 -0.31 1.73 0.08 -1.09 2.47 -0.39 -5.00 119.74 117.23 2aas s LYS 61 Ca 0.00 -0.36 -0.30 0.00 -1.56 0.00 0.00 55.97 53.75 2aas s LYS 61 Cb 0.00 -1.62 -0.05 0.00 -1.46 0.00 0.00 37.83 34.70 2aas s LYS 61 CO 0.00 -0.16 0.98 1.21 0.16 0.00 0.00 175.35 177.54 2aas s ASN 62 N 1.31 7.44 0.21 1.43 3.84 -1.26 -0.19 114.94 127.73 2aas s ASN 62 Ca -0.02 1.77 -0.00 0.00 0.21 0.00 0.00 52.86 54.82 2aas s ASN 62 Cb -0.14 -2.58 -0.04 0.00 -0.55 0.00 0.00 41.25 37.94 2aas s ASN 62 CO -0.04 -0.14 0.11 0.68 -2.79 0.00 0.00 177.10 174.92 2aas s VAL 63 N 0.29 0.19 -0.09 -5.21 -7.23 0.03 -4.93 120.40 103.46 2aas s VAL 63 Ca 0.49 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 2aas s VAL 63 Cb -0.23 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2aas s VAL 63 CO 0.30 -0.05 0.41 0.00 -0.31 0.00 0.00 175.10 175.45 2aas s ALA 64 N -4.02 3.58 0.84 1.32 0.00 -1.26 -2.60 121.76 119.63 2aas s ALA 64 Ca 0.37 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 2aas s ALA 64 Cb 0.07 -2.49 0.10 0.00 0.00 0.00 0.00 23.12 20.81 2aas s ALA 64 CO 0.12 0.20 1.16 0.00 0.00 0.00 0.00 175.76 177.23 2aas h LYS 66 N -1.33 0.05 0.00 0.00 2.10 -1.96 0.22 116.57 115.65 2aas h LYS 66 Ca -0.44 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2aas h LYS 66 Cb 1.27 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2aas h LYS 66 CO 0.45 0.03 -0.07 -2.95 -2.00 0.00 0.00 179.45 174.91 2aas h ASN 67 N 0.05 0.00 0.00 7.07 -1.07 -2.03 -3.47 115.58 116.13 2aas h ASN 67 Ca 0.43 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.80 2aas h ASN 67 Cb 1.63 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.88 2aas h ASN 67 CO -0.03 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.08 2aas n GLY 68 N 1.13 1.47 3.76 9.14 0.00 0.77 -5.11 105.19 116.34 2aas n GLY 68 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.06 4.41 0.00 1.61 -1.52 -1.25 -4.57 119.66 118.29 2aas s GLN 69 Ca 0.00 2.12 0.25 0.00 -1.95 0.00 0.00 55.36 55.78 2aas s GLN 69 Cb 0.00 -3.11 1.43 0.00 -0.22 0.00 0.00 33.01 31.11 2aas s GLN 69 CO 0.00 -0.13 1.86 0.25 -0.25 0.00 0.00 175.29 177.02 2aas n THR 70 N 1.20 0.07 -1.42 -0.19 -2.24 -1.26 0.11 114.28 110.55 2aas n THR 70 Ca 0.01 0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.53 2aas n THR 70 Cb 0.42 -0.62 0.11 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.09 5.83 -4.52 3.42 6.94 -1.26 -4.55 115.26 120.04 2aas n ASN 71 Ca 0.17 -3.75 -0.29 0.00 -0.02 0.00 0.00 54.58 50.69 2aas n ASN 71 Cb 0.12 -0.82 -0.11 0.00 -2.36 0.00 0.00 39.78 36.62 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 -1.21 0.14 -0.08 0.00 2.02 -0.40 -0.79 117.35 117.04 2aas s TYR 73 Ca 0.19 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 2aas s TYR 73 Cb -0.11 -0.10 -0.03 0.00 -0.40 0.00 0.00 41.96 41.33 2aas s TYR 73 CO 0.11 -0.05 -0.11 -1.14 -1.57 0.00 0.00 175.55 172.80 2aas s GLN 74 N -0.44 2.84 0.29 -0.62 0.74 0.74 -1.88 119.66 121.33 2aas s GLN 74 Ca -0.04 -0.63 -0.28 0.00 0.05 0.00 0.00 55.36 54.46 2aas s GLN 74 Cb -0.03 -2.54 -0.09 0.00 1.10 0.00 0.00 33.01 31.44 2aas s GLN 74 CO -0.00 0.53 1.01 -1.54 -0.55 0.00 0.00 175.29 174.74 2aas s SER 75 N -0.48 7.33 0.56 6.67 1.04 -1.17 -1.27 113.70 126.39 2aas s SER 75 Ca 0.06 2.06 0.35 0.00 0.48 0.00 0.00 55.95 58.90 2aas s SER 75 Cb -0.12 -2.61 1.46 0.00 0.10 0.00 0.00 66.02 64.86 2aas s SER 75 CO 0.02 -0.08 2.02 1.88 0.98 0.00 0.00 173.24 178.06 2aas h TYR 76 N 3.62 0.00 -3.58 5.02 0.05 -1.94 -3.43 116.97 116.71 2aas h TYR 76 Ca -0.46 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.65 2aas h TYR 76 Cb 1.20 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.78 2aas h TYR 76 CO 0.60 0.00 -0.74 0.45 -1.05 0.00 0.00 178.16 177.42 2aas s SER 77 N -5.65 4.35 0.33 3.88 0.15 -1.26 -5.10 113.70 110.40 2aas s SER 77 Ca 0.01 -0.40 -0.29 0.00 0.70 0.00 0.00 55.95 55.97 2aas s SER 77 Cb 0.09 -0.82 -0.10 0.00 -1.71 0.00 0.00 66.02 63.49 2aas s SER 77 CO 0.53 0.18 1.29 0.42 1.20 0.00 0.00 173.24 176.86 2aas s THR 78 N -1.20 2.78 0.14 6.45 -4.23 -1.26 -4.63 115.64 113.69 2aas s THR 78 Ca 0.21 0.78 0.10 0.00 -1.18 0.00 0.00 61.69 61.60 2aas s THR 78 Cb -0.11 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 2aas s THR 78 CO 0.13 0.18 -0.19 -0.04 -0.54 0.00 0.00 174.62 174.16 2aas s MET 79 N -1.80 1.73 -0.48 3.99 -1.94 0.29 -4.79 119.30 116.29 2aas s MET 79 Ca 0.49 -1.26 -0.28 0.00 -1.71 0.00 0.00 55.69 52.93 2aas s MET 79 Cb -0.39 -2.05 0.01 0.00 2.01 0.00 0.00 34.83 34.41 2aas s MET 79 CO 0.51 0.46 1.43 0.45 -0.01 0.00 0.00 175.02 177.86 2aas s SER 80 N -2.29 6.22 0.03 3.03 0.15 -1.26 -1.66 113.70 117.91 2aas s SER 80 Ca 0.19 0.60 0.07 0.00 0.70 0.00 0.00 55.95 57.51 2aas s SER 80 Cb -0.10 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.10 -1.57 -0.22 0.27 1.20 0.00 0.00 173.24 173.02 2aas s ILE 81 N 5.80 1.76 -0.33 6.45 -5.25 0.57 -0.92 121.20 129.28 2aas s ILE 81 Ca 0.58 -1.17 0.03 0.00 -0.99 0.00 0.00 60.65 59.11 2aas s ILE 81 Cb -0.12 -1.51 0.10 0.00 2.95 0.00 0.00 42.46 43.87 2aas s ILE 81 CO 0.29 0.30 0.05 -0.89 -1.79 0.00 0.00 174.94 172.90 2aas s THR 82 N -0.73 2.07 0.03 8.37 2.01 0.18 -0.69 115.64 126.88 2aas s THR 82 Ca 0.08 -2.16 -0.30 0.00 0.31 0.00 0.00 61.69 59.62 2aas s THR 82 Cb -0.09 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2aas s THR 82 CO 0.01 -0.57 1.11 -0.62 -0.69 0.00 0.00 174.62 173.86 2aas s ASP 83 N 1.02 7.20 -0.37 3.53 2.15 -0.16 0.41 116.67 130.45 2aas s ASP 83 Ca 0.09 1.85 -0.00 0.00 0.43 0.00 0.00 52.55 54.93 2aas s ASP 83 Cb -0.19 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 39.96 2aas s ASP 83 CO -0.10 -0.39 0.13 0.00 -0.17 0.00 0.00 175.17 174.64 2aas s ARG 85 N 1.06 3.08 0.19 0.00 6.06 -0.58 -1.15 118.95 127.61 2aas s ARG 85 Ca 0.08 -0.86 -0.31 0.00 -2.50 0.00 0.00 55.73 52.14 2aas s ARG 85 Cb -0.21 -2.35 -0.10 0.00 0.06 0.00 0.00 34.95 32.35 2aas s ARG 85 CO -0.05 0.17 1.53 -1.83 -2.50 0.00 0.00 175.30 172.61 2aas s GLU 86 N 0.38 4.23 0.09 5.12 4.04 -0.19 0.34 118.70 132.70 2aas s GLU 86 Ca -0.17 2.34 0.06 0.00 0.04 0.00 0.00 54.97 57.24 2aas s GLU 86 Cb -0.18 -3.14 -0.03 0.00 0.02 0.00 0.00 34.13 30.80 2aas s GLU 86 CO 0.08 -0.55 -0.17 -0.08 -1.84 0.00 0.00 175.26 172.70 2aas s THR 87 N 0.78 1.37 -1.31 1.83 -1.32 -0.10 -4.78 115.64 112.11 2aas s THR 87 Ca 0.67 -1.46 -0.05 0.00 -1.21 0.00 0.00 61.69 59.64 2aas s THR 87 Cb -0.43 -1.32 0.03 0.00 -1.51 0.00 0.00 72.50 69.27 2aas s THR 87 CO 0.35 -0.19 0.35 0.61 -2.21 0.00 0.00 174.62 173.53 2aas n GLY 88 N 1.09 -0.50 2.19 6.08 0.00 -1.26 -4.00 105.19 108.79 2aas n GLY 88 Ca -0.20 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 2aas n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aas n SER 89 N -2.19 -2.77 -4.55 1.61 3.41 -1.26 -4.94 113.62 102.92 2aas n SER 89 Ca -0.09 0.84 -0.38 0.00 -0.26 0.00 0.00 58.87 58.99 2aas n SER 89 Cb 0.59 -3.61 -0.03 0.00 -0.26 0.00 0.00 64.21 60.89 2aas n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2aas s SER 90 N -0.63 5.71 0.02 4.04 1.04 -1.26 -4.62 113.70 118.01 2aas s SER 90 Ca -0.11 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 55.97 2aas s SER 90 Cb 0.01 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2aas s SER 90 CO 0.48 -2.14 0.08 -0.54 0.98 0.00 0.00 173.24 172.10 2aas s LYS 91 N 6.32 3.01 -0.00 4.02 1.02 -1.25 -4.67 119.74 128.18 2aas s LYS 91 Ca 0.54 -0.55 -0.24 0.00 0.02 0.00 0.00 55.97 55.74 2aas s LYS 91 Cb -0.08 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.36 2aas s LYS 91 CO 0.11 0.62 0.73 -0.47 -0.92 0.00 0.00 175.35 175.41 2aas s TYR 92 N -1.26 3.67 -1.55 3.18 5.04 -1.26 -0.55 117.35 124.62 2aas s TYR 92 Ca 0.25 1.37 0.16 0.00 -2.44 0.00 0.00 57.07 56.41 2aas s TYR 92 Cb -0.12 -2.80 0.56 0.00 0.35 0.00 0.00 41.96 39.95 2aas s TYR 92 CO 0.17 0.21 1.45 -0.35 -1.34 0.00 0.00 175.55 175.69 2aas n PRO 93 N 3.15 2.87 -2.59 4.97 -0.04 -1.26 -4.99 135.00 137.11 2aas n PRO 93 Ca -0.02 -2.24 -0.41 0.00 -0.04 0.00 0.00 63.50 60.78 2aas n PRO 93 Cb 0.51 -1.65 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 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 1.03 7.28 -4.69 3.54 6.94 0.28 -4.98 115.26 124.66 2aas n ASN 94 Ca 0.20 -3.56 -0.42 0.00 -0.02 0.00 0.00 54.58 50.78 2aas n ASN 94 Cb 0.64 -1.22 -0.03 0.00 -2.36 0.00 0.00 39.78 36.82 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 2.56 2.74 0.19 0.00 0.00 -1.26 -4.80 121.76 121.18 2aas s ALA 96 Ca 0.74 -1.57 0.11 0.00 0.00 0.00 0.00 51.96 51.24 2aas s ALA 96 Cb -0.41 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2aas s ALA 96 CO 0.33 -0.98 -0.24 0.71 0.00 0.00 0.00 175.76 175.57 2aas s TYR 97 N 1.29 2.30 -0.18 0.00 1.51 -1.26 -0.92 117.35 120.09 2aas s TYR 97 Ca -0.02 -0.36 -0.07 0.00 -1.01 0.00 0.00 57.07 55.61 2aas s TYR 97 Cb -0.18 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 2aas s TYR 97 CO -0.03 0.49 0.05 0.21 -1.11 0.00 0.00 175.55 175.15 2aas s LYS 98 N -2.63 3.93 -0.16 -0.62 2.47 0.15 -4.67 119.74 118.21 2aas s LYS 98 Ca 0.20 -0.37 -0.05 0.00 -1.56 0.00 0.00 55.97 54.19 2aas s LYS 98 Cb -0.08 -3.16 -0.03 0.00 -1.46 0.00 0.00 37.83 33.09 2aas s LYS 98 CO 0.10 0.27 0.01 0.99 0.16 0.00 0.00 175.35 176.88 2aas s THR 99 N 0.37 4.34 -0.18 3.43 2.01 -1.19 -1.52 115.64 122.89 2aas s THR 99 Ca 0.02 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2aas s THR 99 Cb -0.13 -2.92 0.02 0.00 0.01 0.00 0.00 72.50 69.48 2aas s THR 99 CO 0.01 0.49 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.35 2aas s THR 100 N 0.29 1.96 -0.36 -0.82 2.01 -0.16 -4.87 115.64 113.69 2aas s THR 100 Ca 0.00 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.95 2aas s THR 100 Cb -0.13 -1.79 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 2aas s THR 100 CO 0.02 0.50 0.37 -1.58 -0.69 0.00 0.00 174.62 173.23 2aas s GLN 101 N 1.33 3.43 0.04 4.92 2.00 -1.26 -0.99 119.66 129.12 2aas s GLN 101 Ca 0.04 -0.54 0.02 0.00 -2.00 0.00 0.00 55.36 52.88 2aas s GLN 101 Cb -0.13 -3.85 -0.02 0.00 0.80 0.00 0.00 33.01 29.81 2aas s GLN 101 CO -0.12 -0.60 -0.06 0.00 -0.50 0.00 0.00 175.29 174.00 2aas s ALA 102 N 2.01 0.45 -0.58 1.58 0.00 0.13 -5.03 121.76 120.32 2aas s ALA 102 Ca 0.11 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 2aas s ALA 102 Cb -0.17 0.07 0.15 0.00 0.00 0.00 0.00 23.12 23.17 2aas s ALA 102 CO 0.12 -0.05 0.39 -0.80 0.00 0.00 0.00 175.76 175.41 2aas s ASN 103 N -1.51 5.22 0.13 0.00 -0.87 -1.26 -0.31 114.94 116.34 2aas s ASN 103 Ca -0.11 -2.69 0.04 0.00 -1.57 0.00 0.00 52.86 48.53 2aas s ASN 103 Cb -0.10 -1.85 -0.04 0.00 -0.02 0.00 0.00 41.25 39.25 2aas s ASN 103 CO 0.00 -0.40 -0.11 -0.54 -2.57 0.00 0.00 177.10 173.48 2aas s LYS 104 N 0.17 1.00 0.38 -0.60 1.02 -0.66 -4.75 119.74 116.30 2aas s LYS 104 Ca 0.15 -1.34 -0.24 0.00 0.02 0.00 0.00 55.97 54.56 2aas s LYS 104 Cb -0.21 -0.64 -0.10 0.00 -0.52 0.00 0.00 37.83 36.36 2aas s LYS 104 CO -0.03 0.09 0.98 -1.01 -0.92 0.00 0.00 175.35 174.46 2aas s HIS 105 N -2.92 3.46 0.04 3.18 3.76 -1.26 -0.55 115.29 121.00 2aas s HIS 105 Ca 0.13 1.69 0.07 0.00 -0.15 0.00 0.00 55.06 56.81 2aas s HIS 105 Cb 0.00 -2.97 -0.03 0.00 1.11 0.00 0.00 32.58 30.69 2aas s HIS 105 CO 0.01 -0.13 -0.19 0.96 -0.85 0.00 0.00 174.74 174.53 2aas s ILE 106 N -1.78 2.70 -0.35 0.60 -4.36 -1.26 0.17 121.20 116.92 2aas s ILE 106 Ca 0.56 -1.23 -0.07 0.00 -0.26 0.00 0.00 60.65 59.65 2aas s ILE 106 Cb -0.17 -2.13 0.05 0.00 1.25 0.00 0.00 42.46 41.45 2aas s ILE 106 CO 0.22 0.33 0.14 -0.63 0.24 0.00 0.00 174.94 175.24 2aas s ILE 107 N -0.92 3.86 -0.12 8.37 1.09 0.72 -3.03 121.20 131.17 2aas s ILE 107 Ca 0.14 -1.20 -0.04 0.00 -1.10 0.00 0.00 60.65 58.46 2aas s ILE 107 Cb -0.10 -3.23 -0.03 0.00 -1.06 0.00 0.00 42.46 38.03 2aas s ILE 107 CO 0.05 -0.25 0.02 0.68 -0.10 0.00 0.00 174.94 175.34 2aas s VAL 108 N 1.40 4.44 -0.35 2.92 -7.23 -0.79 -1.33 120.40 119.47 2aas s VAL 108 Ca -0.00 -0.18 -0.23 0.00 -1.81 0.00 0.00 61.98 59.75 2aas s VAL 108 Cb -0.20 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.83 2aas s VAL 108 CO 0.03 0.56 0.79 0.00 -0.31 0.00 0.00 175.10 176.17 2aas s ALA 109 N -0.47 3.45 0.11 1.32 0.00 0.11 -1.28 121.76 124.99 2aas s ALA 109 Ca 0.09 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.55 2aas s ALA 109 Cb -0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2aas s ALA 109 CO 0.02 -1.43 -0.26 0.00 0.00 0.00 0.00 175.76 174.09 2aas s GLU 111 N -1.87 0.49 0.00 0.00 -1.05 -0.58 -4.91 118.70 110.77 2aas s GLU 111 Ca 0.13 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 2aas s GLU 111 Cb -0.10 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 2aas s GLU 111 CO 0.05 -0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.44 2aas n GLY 112 N -0.79 -1.59 2.75 -3.83 0.00 -1.26 -1.17 105.19 99.30 2aas n GLY 112 Ca 0.00 -2.07 -0.18 0.00 0.00 0.00 0.00 46.02 43.77 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 -4.00 1.40 0.60 1.61 2.47 -1.26 -2.87 114.94 112.89 2aas s ASN 113 Ca 0.00 -0.27 -0.18 0.00 0.42 0.00 0.00 52.86 52.83 2aas s ASN 113 Cb 0.00 0.41 -0.03 0.00 -1.45 0.00 0.00 41.25 40.17 2aas s ASN 113 CO 0.00 -0.33 1.14 -2.84 -3.72 0.00 0.00 177.10 171.35 2aas s PRO 114 N 2.33 3.05 -0.20 0.43 0.02 -1.26 -5.05 135.00 134.33 2aas s PRO 114 Ca 0.07 1.60 -0.29 0.00 0.02 0.00 0.00 61.00 62.41 2aas s PRO 114 Cb -0.16 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 2aas s PRO 114 CO -0.14 -1.09 1.94 -0.47 -0.33 0.00 0.00 177.00 176.91 2aas s TYR 115 N -1.91 1.55 0.03 6.54 5.04 -1.14 -4.97 117.35 122.50 2aas s TYR 115 Ca 0.72 0.39 0.03 0.00 -2.44 0.00 0.00 57.07 55.77 2aas s TYR 115 Cb -0.24 -4.04 -0.02 0.00 0.35 0.00 0.00 41.96 38.01 2aas s TYR 115 CO 0.33 -3.82 -0.09 0.14 -1.34 0.00 0.00 175.55 170.77 2aas s VAL 116 N 6.60 0.69 0.06 3.14 -7.23 -0.32 -4.86 120.40 118.48 2aas s VAL 116 Ca 0.87 -0.80 -0.32 0.00 -1.81 0.00 0.00 61.98 59.93 2aas s VAL 116 Cb -0.30 -0.66 -0.11 0.00 0.56 0.00 0.00 36.38 35.87 2aas s VAL 116 CO 0.34 -0.10 1.87 -0.81 -0.31 0.00 0.00 175.10 176.09 2aas n PRO 117 N 2.05 2.64 -0.08 4.82 -0.04 -1.26 -1.53 135.00 141.60 2aas n PRO 117 Ca -0.18 0.97 -0.09 0.00 -0.04 0.00 0.00 63.50 64.16 2aas n PRO 117 Cb 0.56 -2.86 -0.11 0.00 -0.04 0.00 0.00 33.50 31.05 2aas n PRO 117 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aas n VAL 118 N 4.95 1.05 -3.97 0.52 0.24 0.54 -4.36 118.33 117.31 2aas n VAL 118 Ca 0.19 -0.59 -0.11 0.00 -2.04 0.00 0.00 64.34 61.79 2aas n VAL 118 Cb 0.36 -0.73 -0.13 0.00 -1.47 0.00 0.00 33.84 31.87 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 -2.37 0.24 -0.08 6.34 3.76 -0.95 -3.46 115.29 118.77 2aas s HIS 119 Ca -0.12 -0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 54.45 2aas s HIS 119 Cb 0.05 -0.16 -0.04 0.00 1.11 0.00 0.00 32.58 33.54 2aas s HIS 119 CO 0.58 -0.09 0.17 0.12 -0.85 0.00 0.00 174.74 174.67 2aas s PHE 120 N -0.77 3.59 0.00 1.40 2.19 -1.26 0.04 117.98 123.18 2aas s PHE 120 Ca -0.07 0.51 0.00 0.00 0.33 0.00 0.00 56.93 57.70 2aas s PHE 120 Cb -0.05 -1.93 0.00 0.00 -1.31 0.00 0.00 43.02 39.72 2aas s PHE 120 CO -0.00 0.70 0.00 -3.47 1.83 0.00 0.00 175.22 174.28 2aas n ASP 121 N 1.63 0.00 -4.00 6.13 -0.08 -0.44 -4.90 116.55 114.89 2aas n ASP 121 Ca -0.17 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 52.94 2aas n ASP 121 Cb 0.54 -0.01 -0.14 0.00 2.34 0.00 0.00 41.12 43.85 2aas n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2aas s ALA 122 N -2.12 0.61 -0.22 -1.67 0.00 -1.18 -5.01 121.76 112.18 2aas s ALA 122 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 2aas s ALA 122 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2aas s ALA 122 CO 0.00 0.14 0.07 -1.12 0.00 0.00 0.00 175.76 174.85 2aas s SER 123 N -0.31 5.43 0.00 0.00 0.01 -1.26 -0.20 113.70 117.36 2aas s SER 123 Ca 0.02 -0.05 0.09 0.00 1.31 0.00 0.00 55.95 57.31 2aas s SER 123 Cb -0.03 -1.95 0.07 0.00 0.21 0.00 0.00 66.02 64.31 2aas s SER 123 CO -0.00 0.07 0.77 0.55 0.41 0.00 0.00 173.24 175.04