#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p45 n GLU 2 N 0.00 0.97 -1.38 1.64 2.13 -1.26 -4.97 120.64 117.78 2p45 n GLU 2 Ca 0.00 0.34 -0.32 0.00 0.66 0.00 0.00 57.16 57.85 2p45 n GLU 2 Cb 0.00 -1.67 0.08 0.00 0.27 0.00 0.00 31.44 30.12 2p45 n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2p45 s THR 3 N -0.80 3.27 0.24 6.31 -4.23 -1.26 -4.83 115.64 114.34 2p45 s THR 3 Ca 0.64 0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 61.55 2p45 s THR 3 Cb -0.80 -2.94 0.23 0.00 1.34 0.00 0.00 72.50 70.32 2p45 s THR 3 CO 0.57 -0.50 1.89 0.00 -0.54 0.00 0.00 174.62 176.04 2p45 h ALA 4 N -0.84 1.22 -0.57 3.99 0.00 -1.96 -0.35 119.26 120.75 2p45 h ALA 4 Ca -0.44 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2p45 h ALA 4 Cb 1.24 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2p45 h ALA 4 CO 0.52 0.66 0.20 0.00 0.00 0.00 0.00 179.25 180.63 2p45 h ALA 5 N 1.32 0.75 -0.17 0.00 0.00 -1.91 -1.51 119.26 117.75 2p45 h ALA 5 Ca 0.33 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2p45 h ALA 5 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2p45 h ALA 5 CO -0.06 0.39 -0.46 0.00 0.00 0.00 0.00 179.25 179.12 2p45 h ALA 6 N 1.06 0.89 -0.63 0.00 0.00 -1.79 -2.27 119.26 116.52 2p45 h ALA 6 Ca 0.19 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2p45 h ALA 6 Cb 0.25 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2p45 h ALA 6 CO -0.01 0.65 0.13 -0.22 0.00 0.00 0.00 179.25 179.80 2p45 h LYS 7 N 0.34 1.03 -0.59 0.00 3.64 -0.85 -0.83 116.57 119.32 2p45 h LYS 7 Ca 0.02 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2p45 h LYS 7 Cb 0.94 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 2p45 h LYS 7 CO 0.08 0.94 0.34 0.35 -2.27 0.00 0.00 179.45 178.89 2p45 h PHE 8 N 0.94 0.79 -0.58 1.91 3.57 -1.05 -0.13 116.94 122.39 2p45 h PHE 8 Ca 0.20 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2p45 h PHE 8 Cb 0.39 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2p45 h PHE 8 CO 0.03 0.56 0.33 0.93 -2.23 0.00 0.00 178.31 177.93 2p45 h GLU 9 N 0.80 0.81 -0.41 1.11 5.08 -0.99 0.73 114.58 121.71 2p45 h GLU 9 Ca 0.21 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2p45 h GLU 9 Cb 0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2p45 h GLU 9 CO -0.04 0.60 0.11 -0.09 -1.00 0.00 0.00 179.01 178.59 2p45 h ARG 10 N 0.79 0.64 0.00 2.33 2.43 -0.84 -2.35 114.38 117.38 2p45 h ARG 10 Ca 0.21 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2p45 h ARG 10 Cb 0.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2p45 h ARG 10 CO -0.04 0.66 -0.50 1.96 -1.51 0.00 0.00 179.97 180.54 2p45 h GLN 11 N 0.51 0.00 0.00 0.20 4.20 -0.84 -3.42 115.11 115.77 2p45 h GLN 11 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2p45 h GLN 11 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2p45 h GLN 11 CO -0.00 0.20 0.00 0.72 -0.67 0.00 0.00 178.83 179.07 2p45 n HIS 12 N -3.04 0.00 -4.25 2.96 8.25 0.23 -4.70 115.22 114.68 2p45 n HIS 12 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 2p45 n HIS 12 Cb 0.64 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.64 2p45 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2p45 s MET 13 N -0.18 3.52 -0.42 -0.41 -1.94 -0.89 -0.37 119.30 118.61 2p45 s MET 13 Ca 0.00 -0.41 0.05 0.00 -1.71 0.00 0.00 55.69 53.62 2p45 s MET 13 Cb 0.00 -2.98 0.19 0.00 2.01 0.00 0.00 34.83 34.06 2p45 s MET 13 CO 0.00 0.44 0.40 -3.47 -0.01 0.00 0.00 175.02 172.38 2p45 n ASP 14 N 2.97 -0.12 0.00 3.03 2.03 0.04 -4.84 116.55 119.66 2p45 n ASP 14 Ca -0.18 -2.50 0.13 0.00 0.52 0.00 0.00 54.79 52.76 2p45 n ASP 14 Cb 0.53 -0.58 0.59 0.00 -0.72 0.00 0.00 41.12 40.94 2p45 n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2p45 n SER 15 N 2.41 0.00 0.26 1.67 7.64 -1.26 -3.52 113.62 120.82 2p45 n SER 15 Ca 0.27 0.39 0.15 0.00 1.01 0.00 0.00 58.87 60.70 2p45 n SER 15 Cb 0.49 -0.46 0.54 0.00 -1.01 0.00 0.00 64.21 63.76 2p45 n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2p45 h SER 16 N 0.00 0.00 -4.47 6.43 4.64 -1.93 -3.45 113.55 114.77 2p45 h SER 16 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 2p45 h SER 16 Cb 0.42 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.30 2p45 h SER 16 CO 0.00 0.03 -0.77 0.42 -0.87 0.00 0.00 176.83 175.64 2p45 s THR 17 N -3.55 1.06 -0.79 2.95 -4.23 -1.23 -5.04 115.64 104.80 2p45 s THR 17 Ca 0.02 -1.34 0.25 0.00 -1.18 0.00 0.00 61.69 59.45 2p45 s THR 17 Cb 0.08 -1.08 0.11 0.00 1.34 0.00 0.00 72.50 72.95 2p45 s THR 17 CO 0.58 -0.28 1.51 -1.54 -0.54 0.00 0.00 174.62 174.35 2p45 n SER 18 N 1.18 0.57 -3.60 3.99 3.41 -1.26 -4.67 113.62 113.25 2p45 n SER 18 Ca -0.21 0.17 -0.04 0.00 -0.26 0.00 0.00 58.87 58.54 2p45 n SER 18 Cb 0.55 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 2p45 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p45 s ALA 19 N -3.09 -2.00 -0.19 7.33 0.00 -1.26 -4.83 121.76 117.72 2p45 s ALA 19 Ca 0.09 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 2p45 s ALA 19 Cb 0.15 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2p45 s ALA 19 CO 0.67 -0.76 1.00 0.00 0.00 0.00 0.00 175.76 176.67 2p45 s ALA 20 N -2.68 3.59 -2.31 0.00 0.00 -1.26 -4.95 121.76 114.15 2p45 s ALA 20 Ca 0.10 0.21 0.20 0.00 0.00 0.00 0.00 51.96 52.46 2p45 s ALA 20 Cb 0.00 -3.47 0.26 0.00 0.00 0.00 0.00 23.12 19.90 2p45 s ALA 20 CO -0.05 -0.88 1.22 0.43 0.00 0.00 0.00 175.76 176.48 2p45 n SER 21 N 5.83 2.92 -3.99 0.00 7.64 -1.26 -4.92 113.62 119.84 2p45 n SER 21 Ca 0.10 -1.88 -0.09 0.00 1.01 0.00 0.00 58.87 58.01 2p45 n SER 21 Cb 0.47 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.46 2p45 n SER 21 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2p45 s SER 22 N -1.51 0.26 0.26 6.43 0.15 -1.26 -5.02 113.70 113.00 2p45 s SER 22 Ca 0.28 -0.55 0.23 0.00 0.70 0.00 0.00 55.95 56.61 2p45 s SER 22 Cb 0.18 0.12 0.98 0.00 -1.71 0.00 0.00 66.02 65.60 2p45 s SER 22 CO 0.26 -0.35 1.69 -1.54 1.20 0.00 0.00 173.24 174.50 2p45 n SER 23 N 1.38 0.63 -0.57 5.45 3.41 -1.26 -1.76 113.62 120.89 2p45 n SER 23 Ca -0.23 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 2p45 n SER 23 Cb 0.56 -0.80 0.41 0.00 -0.26 0.00 0.00 64.21 64.13 2p45 n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2p45 n ASN 24 N -2.21 1.74 -0.08 4.04 5.15 -1.26 -4.37 115.26 118.27 2p45 n ASN 24 Ca 0.02 -1.65 -0.06 0.00 -0.60 0.00 0.00 54.58 52.28 2p45 n ASN 24 Cb 0.20 -0.07 -0.00 0.00 -0.53 0.00 0.00 39.78 39.38 2p45 n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2p45 h TYR 25 N 2.47 -0.10 -0.52 1.20 5.03 -1.75 -1.35 116.97 121.96 2p45 h TYR 25 Ca 0.00 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 2p45 h TYR 25 Cb 0.53 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 2p45 h TYR 25 CO 0.07 -0.10 0.03 0.00 -1.32 0.00 0.00 178.16 176.84 2p45 h ASN 27 N 0.77 0.52 -0.02 0.00 2.35 -1.71 0.11 115.58 117.61 2p45 h ASN 27 Ca 0.15 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 2p45 h ASN 27 Cb 0.49 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2p45 h ASN 27 CO 0.02 0.29 -0.02 1.56 -1.65 0.00 0.00 177.43 177.63 2p45 h GLN 28 N 0.65 0.05 0.01 0.81 4.20 -0.90 -3.16 115.11 116.78 2p45 h GLN 28 Ca 0.38 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.82 2p45 h GLN 28 Cb 0.40 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.19 2p45 h GLN 28 CO -0.28 0.57 -0.97 0.52 -0.67 0.00 0.00 178.83 178.00 2p45 h MET 29 N -0.47 0.44 -0.96 1.46 2.86 -0.54 0.10 114.93 117.81 2p45 h MET 29 Ca 0.00 -0.48 0.02 0.00 -2.06 0.00 0.00 59.70 57.18 2p45 h MET 29 Cb 0.57 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.31 2p45 h MET 29 CO 0.01 1.14 0.64 0.52 1.06 0.00 0.00 176.91 180.27 2p45 h MET 30 N 0.24 1.23 -0.04 1.72 2.86 -0.92 -0.68 114.93 119.34 2p45 h MET 30 Ca -0.09 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2p45 h MET 30 Cb 1.62 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 33.00 2p45 h MET 30 CO 0.17 0.81 -0.09 -0.22 1.06 0.00 0.00 176.91 178.64 2p45 h LYS 31 N 1.27 0.13 0.00 1.72 3.64 -1.48 -0.17 116.57 121.67 2p45 h LYS 31 Ca 0.37 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 2p45 h LYS 31 Cb -0.08 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2p45 h LYS 31 CO -0.09 0.69 -0.25 0.66 -2.27 0.00 0.00 179.45 178.19 2p45 h SER 32 N -0.42 0.00 -0.38 4.20 4.64 -0.52 -1.52 113.55 119.56 2p45 h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p45 h SER 32 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2p45 h SER 32 CO 0.02 0.25 0.00 0.54 -0.87 0.00 0.00 176.83 176.77 2p45 n ARG 33 N -3.44 1.91 -2.25 4.77 5.12 -0.29 -4.92 116.66 117.57 2p45 n ARG 33 Ca -0.00 -1.41 -0.10 0.00 -1.93 0.00 0.00 57.85 54.41 2p45 n ARG 33 Cb 0.43 -1.32 -0.00 0.00 -1.16 0.00 0.00 32.46 30.41 2p45 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2p45 n ASN 34 N 0.65 -3.34 -0.65 0.55 3.02 -0.57 -4.82 115.26 110.09 2p45 n ASN 34 Ca 0.14 -0.03 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 2p45 n ASN 34 Cb 0.34 -2.56 0.38 0.00 -0.61 0.00 0.00 39.78 37.33 2p45 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2p45 n LEU 35 N -1.48 2.01 -0.08 3.41 4.77 -0.08 -4.04 117.00 121.50 2p45 n LEU 35 Ca -0.11 -0.73 0.04 0.00 -0.03 0.00 0.00 56.01 55.18 2p45 n LEU 35 Cb 0.58 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2p45 n LEU 35 CO 0.15 0.37 0.47 0.35 -1.33 0.00 0.00 177.39 177.39 2p45 n THR 36 N 0.56 1.10 0.05 -5.08 -2.24 -1.19 -3.22 114.28 104.25 2p45 n THR 36 Ca 0.17 -1.24 -0.21 0.00 -2.27 0.00 0.00 64.05 60.51 2p45 n THR 36 Cb 0.42 0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 2p45 n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2p45 h LYS 37 N 0.00 0.70 0.00 -0.78 1.57 -1.90 -3.36 116.57 112.80 2p45 h LYS 37 Ca 0.00 -0.77 -0.20 0.00 -1.87 0.00 0.00 60.65 57.81 2p45 h LYS 37 Cb 0.84 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 2p45 h LYS 37 CO 0.00 1.34 -1.76 -0.25 -0.57 0.00 0.00 179.45 178.21 2p45 n ASP 38 N -3.85 0.52 -3.61 0.86 8.00 -1.26 -5.01 116.55 112.20 2p45 n ASP 38 Ca -0.11 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2p45 n ASP 38 Cb 0.90 0.63 -0.01 0.00 -0.02 0.00 0.00 41.12 42.62 2p45 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p45 s ARG 39 N -2.89 0.34 -0.42 -1.24 1.70 -1.26 -5.09 118.95 110.10 2p45 s ARG 39 Ca -0.05 -0.18 -0.29 0.00 -0.47 0.00 0.00 55.73 54.74 2p45 s ARG 39 Cb 0.09 0.12 0.01 0.00 -0.57 0.00 0.00 34.95 34.60 2p45 s ARG 39 CO 0.83 -0.16 1.46 0.00 -1.08 0.00 0.00 175.30 176.36 2p45 s LYS 41 N 5.12 4.14 0.19 0.00 2.20 -1.20 -4.91 119.74 125.29 2p45 s LYS 41 Ca 0.63 2.57 -0.03 0.00 -0.36 0.00 0.00 55.97 58.78 2p45 s LYS 41 Cb -0.14 -3.60 0.11 0.00 -1.51 0.00 0.00 37.83 32.69 2p45 s LYS 41 CO 0.32 -0.83 1.50 -1.35 -0.36 0.00 0.00 175.35 174.62 2p45 h PRO 42 N 8.61 0.52 -3.55 4.03 0.11 -1.93 -3.44 132.00 136.34 2p45 h PRO 42 Ca -0.46 -0.34 -0.18 0.00 0.11 0.00 0.00 66.00 65.13 2p45 h PRO 42 Cb 1.22 0.04 -0.24 0.00 0.11 0.00 0.00 31.00 32.13 2p45 h PRO 42 CO 0.95 0.95 -0.57 0.08 -0.21 0.00 0.00 178.00 179.19 2p45 s VAL 43 N -3.94 0.04 -0.17 3.15 1.01 -1.26 -0.81 120.40 118.42 2p45 s VAL 43 Ca -0.07 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 2p45 s VAL 43 Cb 0.11 -0.26 0.08 0.00 0.00 0.00 0.00 36.38 36.31 2p45 s VAL 43 CO 0.84 -0.19 0.76 0.21 0.00 0.00 0.00 175.10 176.72 2p45 s ASN 44 N -0.62 -0.65 -0.06 3.32 2.47 -0.59 -5.00 114.94 113.81 2p45 s ASN 44 Ca -0.07 0.99 0.05 0.00 0.42 0.00 0.00 52.86 54.25 2p45 s ASN 44 Cb -0.04 0.91 -0.02 0.00 -1.45 0.00 0.00 41.25 40.65 2p45 s ASN 44 CO 0.00 -0.40 -0.21 -0.89 -3.72 0.00 0.00 177.10 171.88 2p45 s THR 45 N -0.44 2.40 -0.08 -5.21 2.01 -1.26 -0.56 115.64 112.49 2p45 s THR 45 Ca -0.05 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 2p45 s THR 45 Cb -0.02 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2p45 s THR 45 CO 0.04 0.57 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.16 2p45 s PHE 46 N -0.27 3.07 -0.21 4.92 0.08 -0.14 -4.40 117.98 121.02 2p45 s PHE 46 Ca 0.00 0.11 -0.06 0.00 0.12 0.00 0.00 56.93 57.10 2p45 s PHE 46 Cb -0.13 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2p45 s PHE 46 CO 0.03 0.39 0.02 0.08 -0.10 0.00 0.00 175.22 175.65 2p45 s VAL 47 N -0.80 4.17 -1.07 -0.44 1.01 0.51 -0.63 120.40 123.15 2p45 s VAL 47 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2p45 s VAL 47 Cb -0.11 -2.90 0.31 0.00 0.00 0.00 0.00 36.38 33.68 2p45 s VAL 47 CO 0.02 0.42 1.58 1.41 0.00 0.00 0.00 175.10 178.53 2p45 n HIS 48 N 4.25 2.36 -4.14 5.22 8.25 0.40 -0.78 115.22 130.78 2p45 n HIS 48 Ca -0.17 -2.56 -0.10 0.00 -0.26 0.00 0.00 57.72 54.63 2p45 n HIS 48 Cb 0.52 -1.24 -0.10 0.00 1.12 0.00 0.00 29.99 30.29 2p45 n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2p45 s GLU 49 N -3.22 1.01 0.71 -0.41 0.41 -1.26 -4.43 118.70 111.51 2p45 s GLU 49 Ca 0.33 -1.46 -0.16 0.00 -0.41 0.00 0.00 54.97 53.28 2p45 s GLU 49 Cb 0.09 0.26 0.03 0.00 -1.78 0.00 0.00 34.13 32.73 2p45 s GLU 49 CO 0.05 -0.31 1.21 -1.54 -0.49 0.00 0.00 175.26 174.18 2p45 s SER 50 N -3.07 4.36 0.20 -0.19 1.04 -1.26 -4.17 113.70 110.62 2p45 s SER 50 Ca 0.27 2.36 -0.11 0.00 0.48 0.00 0.00 55.95 58.95 2p45 s SER 50 Cb 0.07 -2.59 0.17 0.00 0.10 0.00 0.00 66.02 63.77 2p45 s SER 50 CO 0.04 -2.15 1.83 0.25 0.98 0.00 0.00 173.24 174.19 2p45 h LEU 51 N -0.11 0.62 -0.70 2.42 5.85 -1.97 -1.82 115.31 119.61 2p45 h LEU 51 Ca -0.48 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.31 2p45 h LEU 51 Cb 1.30 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 2p45 h LEU 51 CO 0.51 0.43 0.39 0.00 -0.34 0.00 0.00 178.44 179.43 2p45 h ALA 52 N 1.29 0.95 -0.54 1.25 0.00 -1.99 0.11 119.26 120.33 2p45 h ALA 52 Ca 0.26 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2p45 h ALA 52 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2p45 h ALA 52 CO -0.12 0.07 -0.03 -0.44 0.00 0.00 0.00 179.25 178.73 2p45 h ASP 53 N 0.72 0.93 -0.19 0.00 3.32 -1.75 -1.20 116.42 118.24 2p45 h ASP 53 Ca 0.32 -0.26 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 2p45 h ASP 53 Cb 0.22 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.52 2p45 h ASP 53 CO -0.19 1.00 -0.63 0.58 -1.72 0.00 0.00 179.24 178.28 2p45 h VAL 54 N 0.87 1.29 -0.29 -1.35 2.07 -0.88 -3.04 116.25 114.92 2p45 h VAL 54 Ca 0.15 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 2p45 h VAL 54 Cb 0.55 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2p45 h VAL 54 CO 0.03 0.58 0.14 1.56 0.02 0.00 0.00 177.57 179.90 2p45 h GLN 55 N 0.49 0.40 0.00 1.57 4.20 -0.66 -1.52 115.11 119.58 2p45 h GLN 55 Ca -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2p45 h GLN 55 Cb 1.25 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 2p45 h GLN 55 CO 0.13 0.31 -0.03 0.00 -0.67 0.00 0.00 178.83 178.58 2p45 h ALA 56 N 1.76 1.11 -0.01 3.87 0.00 -1.10 -2.28 119.26 122.61 2p45 h ALA 56 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2p45 h ALA 56 Cb 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2p45 h ALA 56 CO -0.02 0.03 0.00 0.28 0.00 0.00 0.00 179.25 179.55 2p45 h VAL 57 N 0.00 0.98 0.00 0.00 2.07 -1.30 -1.24 116.25 116.76 2p45 h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2p45 h VAL 57 Cb 0.20 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2p45 h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2p45 n SER 59 N -1.44 3.08 0.00 0.00 7.64 -0.47 -4.99 113.62 117.45 2p45 n SER 59 Ca 0.03 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.95 2p45 n SER 59 Cb 0.09 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2p45 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2p45 n GLN 60 N 0.79 3.45 -2.69 1.43 6.02 -0.08 -5.01 117.38 121.30 2p45 n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 2p45 n GLN 60 Cb 0.46 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.70 2p45 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2p45 s LYS 61 N 4.51 4.36 0.01 -1.09 2.20 -1.11 -4.83 119.74 123.79 2p45 s LYS 61 Ca 0.00 1.36 -0.30 0.00 -0.36 0.00 0.00 55.97 56.67 2p45 s LYS 61 Cb 0.00 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 2p45 s LYS 61 CO 0.00 -0.42 1.26 1.21 -0.36 0.00 0.00 175.35 177.04 2p45 s ASN 62 N 1.13 6.99 0.15 1.43 3.04 -1.26 -0.59 114.94 125.84 2p45 s ASN 62 Ca 0.46 1.99 0.01 0.00 0.04 0.00 0.00 52.86 55.36 2p45 s ASN 62 Cb -0.17 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.93 2p45 s ASN 62 CO 0.14 -0.59 0.01 0.68 -3.04 0.00 0.00 177.10 174.30 2p45 s VAL 63 N 1.82 0.52 0.47 -5.21 -7.23 0.20 -4.92 120.40 106.05 2p45 s VAL 63 Ca 0.59 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.59 2p45 s VAL 63 Cb -0.29 -2.05 -0.08 0.00 0.56 0.00 0.00 36.38 34.52 2p45 s VAL 63 CO 0.26 -0.51 1.08 0.00 -0.31 0.00 0.00 175.10 175.62 2p45 s ALA 64 N -3.76 2.92 0.64 1.32 0.00 -1.26 -2.57 121.76 119.04 2p45 s ALA 64 Ca 0.23 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 2p45 s ALA 64 Cb 0.06 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 2p45 s ALA 64 CO 0.02 -0.44 1.04 0.00 0.00 0.00 0.00 175.76 176.38 2p45 h LYS 66 N -0.40 0.00 -0.04 0.00 1.57 -1.89 0.25 116.57 116.05 2p45 h LYS 66 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2p45 h LYS 66 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2p45 h LYS 66 CO 0.61 0.03 0.00 0.27 -0.57 0.00 0.00 179.45 179.80 2p45 n ASN 67 N -4.44 0.39 0.00 0.86 0.23 -1.26 -4.90 115.26 106.14 2p45 n ASN 67 Ca -0.03 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.47 2p45 n ASN 67 Cb 0.12 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 2p45 n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2p45 n GLY 68 N 0.84 1.28 3.71 4.83 0.00 0.08 -5.05 105.19 110.88 2p45 n GLY 68 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2p45 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p45 s GLN 69 N -0.53 1.35 -0.08 1.61 -0.21 -1.26 -4.76 119.66 115.78 2p45 s GLN 69 Ca 0.00 0.94 0.11 0.00 0.02 0.00 0.00 55.36 56.44 2p45 s GLN 69 Cb 0.00 -1.81 0.17 0.00 1.00 0.00 0.00 33.01 32.37 2p45 s GLN 69 CO 0.00 -2.21 1.07 -2.37 -2.12 0.00 0.00 175.29 169.66 2p45 n THR 70 N -3.88 1.22 -1.42 -0.19 5.66 -1.26 -0.28 114.28 114.14 2p45 n THR 70 Ca 0.08 -1.45 -0.28 0.00 -3.05 0.00 0.00 64.05 59.35 2p45 n THR 70 Cb 0.54 0.08 0.11 0.00 -1.55 0.00 0.00 70.33 69.51 2p45 n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2p45 n ASN 71 N -0.91 5.83 -4.95 1.09 6.94 -1.26 -4.69 115.26 117.31 2p45 n ASN 71 Ca 0.10 -3.74 -0.24 0.00 -0.02 0.00 0.00 54.58 50.67 2p45 n ASN 71 Cb 0.61 -0.82 -0.03 0.00 -2.36 0.00 0.00 39.78 37.19 2p45 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2p45 s TYR 73 N -1.86 0.01 -0.16 0.00 1.51 0.23 -0.63 117.35 116.45 2p45 s TYR 73 Ca 0.34 0.13 -0.06 0.00 -1.01 0.00 0.00 57.07 56.47 2p45 s TYR 73 Cb -0.10 -0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.54 2p45 s TYR 73 CO 0.29 -0.08 0.04 -1.14 -1.11 0.00 0.00 175.55 173.55 2p45 s GLN 74 N 0.83 3.78 0.33 -0.62 0.74 0.24 -1.37 119.66 123.59 2p45 s GLN 74 Ca -0.07 -0.37 -0.29 0.00 0.05 0.00 0.00 55.36 54.68 2p45 s GLN 74 Cb -0.10 -3.11 -0.11 0.00 1.10 0.00 0.00 33.01 30.80 2p45 s GLN 74 CO -0.02 0.35 1.40 -1.54 -0.55 0.00 0.00 175.29 174.92 2p45 s SER 75 N 0.14 6.60 0.20 6.67 1.04 0.05 -2.75 113.70 125.65 2p45 s SER 75 Ca 0.04 2.81 -0.06 0.00 0.48 0.00 0.00 55.95 59.21 2p45 s SER 75 Cb -0.12 -2.65 0.15 0.00 0.10 0.00 0.00 66.02 63.49 2p45 s SER 75 CO 0.01 -0.68 1.65 0.22 0.98 0.00 0.00 173.24 175.42 2p45 h TYR 76 N 3.58 1.03 -2.63 5.02 3.20 -1.94 -3.44 116.97 121.79 2p45 h TYR 76 Ca -0.49 -0.19 -0.56 0.00 3.14 0.00 0.00 58.73 60.62 2p45 h TYR 76 Cb 1.23 -0.26 -0.07 0.00 1.54 0.00 0.00 36.73 39.17 2p45 h TYR 76 CO 0.56 0.96 -0.57 -1.12 -1.64 0.00 0.00 178.16 176.35 2p45 s SER 77 N -6.65 5.45 0.67 -2.11 0.01 -1.26 -5.06 113.70 104.75 2p45 s SER 77 Ca -0.11 -0.18 -0.15 0.00 1.31 0.00 0.00 55.95 56.82 2p45 s SER 77 Cb 0.14 -1.39 0.01 0.00 0.21 0.00 0.00 66.02 64.98 2p45 s SER 77 CO 0.84 0.05 1.14 0.42 0.41 0.00 0.00 173.24 176.11 2p45 s THR 78 N -1.82 2.93 0.07 1.44 -4.23 -1.26 -4.51 115.64 108.26 2p45 s THR 78 Ca 0.31 0.46 0.04 0.00 -1.18 0.00 0.00 61.69 61.32 2p45 s THR 78 Cb -0.10 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 2p45 s THR 78 CO 0.23 -0.25 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.90 2p45 s MET 79 N -3.95 0.75 -0.02 3.99 -1.94 0.24 -4.84 119.30 113.54 2p45 s MET 79 Ca 0.70 -0.93 -0.30 0.00 -1.71 0.00 0.00 55.69 53.45 2p45 s MET 79 Cb -0.24 -0.68 -0.05 0.00 2.01 0.00 0.00 34.83 35.88 2p45 s MET 79 CO 0.41 0.14 1.40 0.45 -0.01 0.00 0.00 175.02 177.41 2p45 s SER 80 N -1.77 6.85 0.07 3.03 0.15 -1.26 -1.32 113.70 119.45 2p45 s SER 80 Ca -0.03 2.07 0.02 0.00 0.70 0.00 0.00 55.95 58.71 2p45 s SER 80 Cb -0.09 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 2p45 s SER 80 CO 0.02 -0.73 -0.07 0.27 1.20 0.00 0.00 173.24 173.92 2p45 s ILE 81 N 2.61 0.60 -0.14 6.45 -4.36 0.05 -0.45 121.20 125.95 2p45 s ILE 81 Ca 0.63 -1.47 0.01 0.00 -0.26 0.00 0.00 60.65 59.57 2p45 s ILE 81 Cb -0.30 -1.10 0.02 0.00 1.25 0.00 0.00 42.46 42.33 2p45 s ILE 81 CO 0.26 -0.61 -0.17 -0.89 0.24 0.00 0.00 174.94 173.77 2p45 s THR 82 N -2.42 1.72 -0.10 8.37 2.01 0.19 -1.23 115.64 124.19 2p45 s THR 82 Ca -0.00 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 2p45 s THR 82 Cb -0.03 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 2p45 s THR 82 CO -0.02 0.48 0.46 -1.81 -0.69 0.00 0.00 174.62 173.04 2p45 s ASP 83 N 1.25 6.70 -0.18 3.53 1.01 0.04 -0.97 116.67 128.05 2p45 s ASP 83 Ca 0.01 0.83 -0.02 0.00 0.71 0.00 0.00 52.55 54.08 2p45 s ASP 83 Cb -0.14 -2.28 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 2p45 s ASP 83 CO -0.08 0.06 -0.08 0.00 0.21 0.00 0.00 175.17 175.29 2p45 s ARG 85 N 1.02 1.51 0.34 0.00 3.52 -0.75 -1.54 118.95 123.05 2p45 s ARG 85 Ca -0.00 -0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 2p45 s ARG 85 Cb -0.15 -1.50 -0.11 0.00 -1.56 0.00 0.00 34.95 31.63 2p45 s ARG 85 CO -0.01 -0.20 1.52 -1.91 -0.81 0.00 0.00 175.30 173.89 2p45 n GLU 86 N 4.68 2.66 -1.76 5.12 2.13 0.01 -0.55 120.64 132.94 2p45 n GLU 86 Ca -0.15 0.94 -0.30 0.00 0.66 0.00 0.00 57.16 58.31 2p45 n GLU 86 Cb 0.50 -2.68 0.06 0.00 0.27 0.00 0.00 31.44 29.60 2p45 n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2p45 s THR 87 N -0.69 3.28 0.42 6.31 -4.23 -0.24 -4.79 115.64 115.70 2p45 s THR 87 Ca 0.57 0.42 0.11 0.00 -1.18 0.00 0.00 61.69 61.61 2p45 s THR 87 Cb -0.49 -3.31 0.19 0.00 1.34 0.00 0.00 72.50 70.23 2p45 s THR 87 CO 0.58 -0.54 1.98 1.23 -0.54 0.00 0.00 174.62 177.33 2p45 h GLY 88 N -0.83 0.19 -0.61 3.99 0.00 -1.93 -2.71 103.07 101.16 2p45 h GLY 88 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2p45 h GLY 88 CO 0.62 0.10 -0.27 1.44 0.00 0.00 0.00 176.54 178.43 2p45 n SER 89 N -4.34 1.73 -4.72 0.19 7.64 -1.26 -4.92 113.62 107.94 2p45 n SER 89 Ca -0.01 -1.36 -0.43 0.00 1.01 0.00 0.00 58.87 58.08 2p45 n SER 89 Cb 0.22 0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 2p45 n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2p45 n SER 90 N -0.03 3.59 -3.66 6.43 2.88 -1.02 -4.99 113.62 116.82 2p45 n SER 90 Ca 0.12 1.12 -0.18 0.00 -1.33 0.00 0.00 58.87 58.60 2p45 n SER 90 Cb 0.43 -1.54 -0.16 0.00 -0.75 0.00 0.00 64.21 62.19 2p45 n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2p45 s LYS 91 N 0.10 -0.01 0.14 -1.46 2.20 -1.26 -4.92 119.74 114.53 2p45 s LYS 91 Ca 0.69 0.48 -0.34 0.00 -0.36 0.00 0.00 55.97 56.44 2p45 s LYS 91 Cb -0.55 -0.40 -0.16 0.00 -1.51 0.00 0.00 37.83 35.21 2p45 s LYS 91 CO 0.43 -0.33 1.24 0.98 -0.36 0.00 0.00 175.35 177.32 2p45 n TYR 92 N 5.32 1.42 0.95 4.03 9.36 -1.26 -1.22 117.16 135.76 2p45 n TYR 92 Ca -0.04 0.65 0.12 0.00 3.32 0.00 0.00 57.90 61.95 2p45 n TYR 92 Cb 0.50 -2.31 0.17 0.00 -0.63 0.00 0.00 39.34 37.07 2p45 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2p45 n PRO 93 N 2.08 2.27 -2.49 2.98 -0.04 -1.26 -4.98 135.00 133.56 2p45 n PRO 93 Ca 0.16 -1.86 -0.41 0.00 -0.04 0.00 0.00 63.50 61.35 2p45 n PRO 93 Cb 0.23 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 2p45 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2p45 n ASN 94 N 1.22 6.93 -4.71 3.54 3.02 -0.36 -4.99 115.26 119.91 2p45 n ASN 94 Ca 0.15 -3.37 -0.42 0.00 -0.03 0.00 0.00 54.58 50.91 2p45 n ASN 94 Cb 0.57 -1.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 2p45 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p45 s ALA 96 N 1.60 1.85 0.02 0.00 0.00 -1.26 -4.87 121.76 119.10 2p45 s ALA 96 Ca 0.70 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2p45 s ALA 96 Cb -0.41 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 2p45 s ALA 96 CO 0.31 0.44 -0.04 0.71 0.00 0.00 0.00 175.76 177.18 2p45 s TYR 97 N -0.68 0.31 -0.04 0.00 2.02 -1.26 -1.07 117.35 116.63 2p45 s TYR 97 Ca 0.09 -0.40 -0.20 0.00 -0.37 0.00 0.00 57.07 56.19 2p45 s TYR 97 Cb -0.09 -0.21 -0.05 0.00 -0.40 0.00 0.00 41.96 41.22 2p45 s TYR 97 CO 0.01 -0.12 0.57 0.21 -1.57 0.00 0.00 175.55 174.65 2p45 s LYS 98 N -1.13 4.32 -0.25 -0.62 2.20 0.29 -4.65 119.74 119.91 2p45 s LYS 98 Ca -0.11 0.67 -0.11 0.00 -0.36 0.00 0.00 55.97 56.07 2p45 s LYS 98 Cb -0.08 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2p45 s LYS 98 CO -0.00 0.30 0.17 0.99 -0.36 0.00 0.00 175.35 176.44 2p45 s THR 99 N 0.08 5.35 -0.18 3.43 2.01 -1.26 -1.82 115.64 123.25 2p45 s THR 99 Ca 0.30 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.50 2p45 s THR 99 Cb -0.17 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 68.86 2p45 s THR 99 CO 0.16 0.32 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.42 2p45 s THR 100 N 1.20 1.51 -0.08 -0.82 2.01 -0.32 -5.00 115.64 114.15 2p45 s THR 100 Ca 0.08 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 2p45 s THR 100 Cb -0.14 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 2p45 s THR 100 CO 0.06 0.23 0.42 -1.58 -0.69 0.00 0.00 174.62 173.07 2p45 s GLN 101 N 1.47 4.17 0.26 4.92 2.00 -1.26 -0.78 119.66 130.44 2p45 s GLN 101 Ca 0.01 0.38 -0.15 0.00 -2.00 0.00 0.00 55.36 53.60 2p45 s GLN 101 Cb -0.15 -3.35 0.00 0.00 0.80 0.00 0.00 33.01 30.31 2p45 s GLN 101 CO -0.09 0.38 0.55 0.00 -0.50 0.00 0.00 175.29 175.63 2p45 s ALA 102 N -0.06 -0.52 -0.31 1.58 0.00 -0.36 -5.02 121.76 117.06 2p45 s ALA 102 Ca 0.24 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2p45 s ALA 102 Cb -0.15 1.00 0.09 0.00 0.00 0.00 0.00 23.12 24.06 2p45 s ALA 102 CO 0.11 -0.91 0.04 1.21 0.00 0.00 0.00 175.76 176.21 2p45 s ASN 103 N -2.99 4.39 0.05 0.00 3.04 -1.26 -0.77 114.94 117.41 2p45 s ASN 103 Ca 0.19 -1.83 -0.03 0.00 0.04 0.00 0.00 52.86 51.23 2p45 s ASN 103 Cb -0.02 -1.32 -0.03 0.00 -1.54 0.00 0.00 41.25 38.34 2p45 s ASN 103 CO 0.09 -0.36 0.03 -0.54 -3.04 0.00 0.00 177.10 173.28 2p45 s LYS 104 N 1.20 0.63 0.38 0.43 1.02 -0.43 -4.75 119.74 118.23 2p45 s LYS 104 Ca 0.07 -1.06 -0.27 0.00 0.02 0.00 0.00 55.97 54.74 2p45 s LYS 104 Cb -0.18 0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.27 2p45 s LYS 104 CO -0.13 -0.14 1.28 -1.01 -0.92 0.00 0.00 175.35 174.43 2p45 s HIS 105 N -3.55 2.93 0.18 3.18 3.76 -0.48 -0.59 115.29 120.73 2p45 s HIS 105 Ca 0.03 1.44 0.07 0.00 -0.15 0.00 0.00 55.06 56.45 2p45 s HIS 105 Cb 0.05 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.07 2p45 s HIS 105 CO -0.09 -1.89 0.01 0.96 -0.85 0.00 0.00 174.74 172.89 2p45 s ILE 106 N -1.25 3.76 -0.11 0.60 -4.36 -1.26 -1.09 121.20 117.49 2p45 s ILE 106 Ca 0.55 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 59.50 2p45 s ILE 106 Cb -0.37 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.45 2p45 s ILE 106 CO 0.48 -0.14 -0.12 -0.63 0.24 0.00 0.00 174.94 174.77 2p45 s ILE 107 N -1.80 1.33 0.12 8.37 1.09 0.06 -0.77 121.20 129.60 2p45 s ILE 107 Ca 0.28 -0.52 0.09 0.00 -1.10 0.00 0.00 60.65 59.40 2p45 s ILE 107 Cb -0.09 -1.25 -0.04 0.00 -1.06 0.00 0.00 42.46 40.02 2p45 s ILE 107 CO 0.19 0.41 -0.21 0.68 -0.10 0.00 0.00 174.94 175.91 2p45 s VAL 108 N 1.24 1.79 -0.02 2.92 -7.23 -0.47 -0.43 120.40 118.19 2p45 s VAL 108 Ca -0.02 -1.63 -0.17 0.00 -1.81 0.00 0.00 61.98 58.35 2p45 s VAL 108 Cb -0.14 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 2p45 s VAL 108 CO -0.05 -0.09 0.46 0.00 -0.31 0.00 0.00 175.10 175.12 2p45 s ALA 109 N -1.31 3.61 0.01 1.32 0.00 -0.32 -0.60 121.76 124.46 2p45 s ALA 109 Ca 0.09 -0.15 0.08 0.00 0.00 0.00 0.00 51.96 51.98 2p45 s ALA 109 Cb -0.09 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2p45 s ALA 109 CO 0.05 0.32 -0.24 0.00 0.00 0.00 0.00 175.76 175.88 2p45 s GLU 111 N -0.87 0.91 0.00 0.00 2.02 -0.55 -4.91 118.70 115.31 2p45 s GLU 111 Ca 0.10 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2p45 s GLU 111 Cb -0.09 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.53 2p45 s GLU 111 CO 0.00 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.37 2p45 n GLY 112 N 0.13 -3.39 2.72 -1.39 0.00 -1.26 -1.86 105.19 100.13 2p45 n GLY 112 Ca -0.17 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 2p45 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2p45 s ASN 113 N -1.34 3.63 0.67 1.61 2.47 -1.26 -2.57 114.94 118.16 2p45 s ASN 113 Ca 0.00 -1.33 -0.14 0.00 0.42 0.00 0.00 52.86 51.81 2p45 s ASN 113 Cb 0.00 -0.74 0.00 0.00 -1.45 0.00 0.00 41.25 39.06 2p45 s ASN 113 CO 0.00 -0.38 1.09 -2.16 -3.72 0.00 0.00 177.10 171.93 2p45 s PRO 114 N 1.73 2.84 -0.55 0.43 0.04 -1.26 -5.09 135.00 133.15 2p45 s PRO 114 Ca 0.06 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.07 2p45 s PRO 114 Cb -0.17 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2p45 s PRO 114 CO -0.21 -1.19 1.06 -0.47 0.04 0.00 0.00 177.00 176.23 2p45 s TYR 115 N -2.58 2.73 0.17 0.56 5.04 -1.06 -4.89 117.35 117.31 2p45 s TYR 115 Ca 0.64 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 55.53 2p45 s TYR 115 Cb -0.18 -4.27 -0.04 0.00 0.35 0.00 0.00 41.96 37.82 2p45 s TYR 115 CO 0.45 -1.42 0.02 0.14 -1.34 0.00 0.00 175.55 173.40 2p45 s VAL 116 N 4.38 0.52 0.27 3.14 -7.23 -0.78 -4.85 120.40 115.86 2p45 s VAL 116 Ca 0.37 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 2p45 s VAL 116 Cb -0.10 -2.13 -0.10 0.00 0.56 0.00 0.00 36.38 34.61 2p45 s VAL 116 CO 0.23 -0.44 1.34 -2.84 -0.31 0.00 0.00 175.10 173.08 2p45 s PRO 117 N -3.96 4.35 0.00 4.82 0.02 -1.26 -1.48 135.00 137.49 2p45 s PRO 117 Ca 0.25 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2p45 s PRO 117 Cb 0.07 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2p45 s PRO 117 CO 0.04 -0.26 0.00 1.33 -0.33 0.00 0.00 177.00 177.78 2p45 n VAL 118 N 1.77 0.00 -3.86 3.83 0.24 0.68 -4.53 118.33 116.46 2p45 n VAL 118 Ca 0.04 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 2p45 n VAL 118 Cb 0.42 0.64 -0.11 0.00 -1.47 0.00 0.00 33.84 33.32 2p45 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2p45 s HIS 119 N -1.23 0.00 -0.33 6.34 3.76 -1.10 -4.63 115.29 118.11 2p45 s HIS 119 Ca 0.00 -0.03 -0.17 0.00 -0.15 0.00 0.00 55.06 54.71 2p45 s HIS 119 Cb 0.00 -0.03 -0.01 0.00 1.11 0.00 0.00 32.58 33.65 2p45 s HIS 119 CO 0.00 -0.23 0.47 0.12 -0.85 0.00 0.00 174.74 174.25 2p45 s PHE 120 N -1.05 3.20 -0.22 1.40 2.19 -1.26 -1.18 117.98 121.08 2p45 s PHE 120 Ca -0.11 0.23 -0.14 0.00 0.33 0.00 0.00 56.93 57.24 2p45 s PHE 120 Cb -0.06 -2.81 -0.18 0.00 -1.31 0.00 0.00 43.02 38.65 2p45 s PHE 120 CO 0.01 -0.45 0.04 -3.47 1.83 0.00 0.00 175.22 173.19 2p45 n ASP 121 N 5.61 1.95 -3.65 6.13 2.03 0.42 -4.96 116.55 124.08 2p45 n ASP 121 Ca -0.06 0.30 -0.02 0.00 0.52 0.00 0.00 54.79 55.53 2p45 n ASP 121 Cb 0.49 -0.85 -0.01 0.00 -0.72 0.00 0.00 41.12 40.03 2p45 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p45 s ALA 122 N -2.46 -1.97 0.13 -1.67 0.00 -1.02 -4.88 121.76 109.90 2p45 s ALA 122 Ca -0.31 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.36 2p45 s ALA 122 Cb 0.09 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 2p45 s ALA 122 CO 0.60 -0.95 -0.14 -1.54 0.00 0.00 0.00 175.76 173.72 2p45 s SER 123 N -2.81 2.09 0.00 0.00 1.04 -1.26 -0.76 113.70 112.00 2p45 s SER 123 Ca 0.12 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2p45 s SER 123 Cb 0.01 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 2p45 s SER 123 CO -0.02 -0.14 0.00 1.33 0.98 0.00 0.00 173.24 175.38