#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cur s THR 2 N 0.00 3.47 0.31 2.61 -4.23 -1.26 -0.75 115.64 115.78 1cur s THR 2 Ca 0.00 0.09 -0.26 0.00 -1.18 0.00 0.00 61.69 60.34 1cur s THR 2 Cb 0.00 -4.19 -0.15 0.00 1.34 0.00 0.00 72.50 69.50 1cur s THR 2 CO 0.00 -1.15 0.64 0.18 -0.54 0.00 0.00 174.62 173.75 1cur n LEU 3 N 12.14 -0.11 0.00 4.79 4.32 -1.11 -2.84 117.00 134.18 1cur n LEU 3 Ca 0.21 1.06 0.00 0.00 -0.02 0.00 0.00 56.01 57.26 1cur n LEU 3 Cb 0.51 -1.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.21 1cur n LEU 3 CO 0.69 -2.58 0.00 -0.67 -1.22 0.00 0.00 177.39 173.61 1cur n ASP 4 N 1.58 0.00 -0.27 -1.43 2.03 0.70 -4.73 116.55 114.44 1cur n ASP 4 Ca 0.13 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.49 1cur n ASP 4 Cb 0.32 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.91 1cur n ASP 4 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1cur h THR 5 N 0.00 0.72 -3.72 5.18 1.35 -1.83 -3.38 112.91 111.23 1cur h THR 5 Ca 0.00 -0.18 -0.63 0.00 -0.55 0.00 0.00 66.41 65.05 1cur h THR 5 Cb 0.00 0.14 -0.15 0.00 -1.73 0.00 0.00 68.15 66.41 1cur h THR 5 CO 0.00 0.10 -0.44 -0.89 -0.25 0.00 0.00 175.52 174.03 1cur s THR 6 N -6.01 5.30 -0.23 6.82 2.01 -1.26 -5.05 115.64 117.21 1cur s THR 6 Ca -0.12 0.28 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 1cur s THR 6 Cb 0.20 -3.56 0.08 0.00 0.01 0.00 0.00 72.50 69.23 1cur s THR 6 CO 0.77 0.27 0.54 0.26 -0.69 0.00 0.00 174.62 175.77 1cur s TRP 7 N 1.51 -0.90 0.25 4.92 0.23 -1.26 -4.88 118.94 118.81 1cur s TRP 7 Ca 0.09 1.76 -0.11 0.00 -2.03 0.00 0.00 56.10 55.82 1cur s TRP 7 Cb -0.15 0.47 -0.01 0.00 0.03 0.00 0.00 33.47 33.82 1cur s TRP 7 CO 0.08 -0.47 0.43 0.15 0.96 0.00 0.00 176.95 178.10 1cur s LYS 8 N 1.87 1.53 0.03 4.98 1.02 -0.78 -5.05 119.74 123.35 1cur s LYS 8 Ca -0.08 -1.34 0.02 0.00 0.02 0.00 0.00 55.97 54.59 1cur s LYS 8 Cb -0.08 0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 37.65 1cur s LYS 8 CO -0.16 -0.62 -0.07 -1.21 -0.92 0.00 0.00 175.35 172.36 1cur s GLU 9 N -3.96 0.51 0.00 1.68 2.02 -1.26 -0.46 118.70 117.23 1cur s GLU 9 Ca 0.25 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1cur s GLU 9 Cb 0.00 -0.32 0.00 0.00 0.10 0.00 0.00 34.13 33.91 1cur s GLU 9 CO 0.10 0.06 0.00 0.00 0.02 0.00 0.00 175.26 175.45 1cur n ALA 10 N 1.74 0.00 -2.35 5.21 0.00 0.66 -4.90 120.51 120.87 1cur n ALA 10 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 1cur n ALA 10 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 1cur n ALA 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cur s THR 11 N 1.49 0.47 0.19 0.00 -4.23 -1.26 -0.39 115.64 111.91 1cur s THR 11 Ca 0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 1cur s THR 11 Cb 0.00 -2.55 0.09 0.00 1.34 0.00 0.00 72.50 71.38 1cur s THR 11 CO 0.00 0.00 1.47 -0.11 -0.54 0.00 0.00 174.62 175.44 1cur n LEU 12 N -0.58 -0.80 0.02 4.79 0.00 -0.92 -0.52 117.00 118.99 1cur n LEU 12 Ca -0.00 1.68 0.15 0.00 0.00 0.00 0.00 56.01 57.83 1cur n LEU 12 Cb 0.65 -0.31 0.60 0.00 0.00 0.00 0.00 43.42 44.37 1cur n LEU 12 CO 0.36 -1.44 1.16 1.55 0.00 0.00 0.00 177.39 179.02 1cur h PRO 13 N 0.00 0.16 0.00 1.96 0.13 -1.98 0.10 132.00 132.37 1cur h PRO 13 Ca 0.25 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.30 1cur h PRO 13 Cb 0.49 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1cur h PRO 13 CO -0.92 0.11 -0.32 1.96 -0.23 0.00 0.00 178.00 178.60 1cur h GLN 14 N 0.16 0.00 0.05 0.86 7.50 -1.21 -0.04 115.11 122.43 1cur h GLN 14 Ca 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.36 1cur h GLN 14 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.16 1cur h GLN 14 CO -0.03 0.32 -0.02 0.28 -1.50 0.00 0.00 178.83 177.87 1cur h VAL 15 N 0.00 1.00 -0.45 -0.54 2.07 -0.71 0.95 116.25 118.56 1cur h VAL 15 Ca -0.00 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1cur h VAL 15 Cb 0.66 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1cur h VAL 15 CO 0.04 0.04 0.14 0.11 0.02 0.00 0.00 177.57 177.92 1cur h LYS 16 N -0.13 0.30 0.27 1.57 1.57 -1.27 0.19 116.57 119.07 1cur h LYS 16 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1cur h LYS 16 Cb 0.12 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1cur h LYS 16 CO 0.01 0.20 -0.52 0.00 -0.57 0.00 0.00 179.45 178.57 1cur h ALA 17 N 1.31 -1.06 -0.43 3.86 0.00 -0.78 -3.05 119.26 119.13 1cur h ALA 17 Ca 0.22 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1cur h ALA 17 Cb 0.23 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1cur h ALA 17 CO -0.24 -1.15 0.08 0.52 0.00 0.00 0.00 179.25 178.46 1cur h MET 18 N -0.86 0.20 -0.97 0.00 2.86 -0.32 -2.26 114.93 113.59 1cur h MET 18 Ca -0.03 -0.01 0.25 0.00 -2.06 0.00 0.00 59.70 57.85 1cur h MET 18 Cb 0.81 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.36 1cur h MET 18 CO -0.20 0.13 0.66 -0.07 1.06 0.00 0.00 176.91 178.49 1cur h LEU 19 N 0.21 0.27 -0.61 1.22 3.38 -0.86 0.32 115.31 119.23 1cur h LEU 19 Ca 0.21 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1cur h LEU 19 Cb 0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1cur h LEU 19 CO -0.28 0.08 -0.67 -0.33 0.09 0.00 0.00 178.44 177.34 1cur h GLU 20 N 0.25 0.13 -3.04 1.13 4.39 -1.36 -3.35 114.58 112.74 1cur h GLU 20 Ca 0.50 -0.10 -0.68 0.00 0.34 0.00 0.00 59.36 59.42 1cur h GLU 20 Cb 1.52 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1cur h GLU 20 CO -0.15 0.75 3.59 1.63 -1.16 0.00 0.00 179.01 183.67 1cur n LYS 21 N -3.79 3.76 -3.90 2.33 5.02 0.11 -4.77 118.16 116.91 1cur n LYS 21 Ca -0.02 -2.42 -0.30 0.00 -2.02 0.00 0.00 58.31 53.55 1cur n LYS 21 Cb 0.66 -2.82 -0.15 0.00 -0.02 0.00 0.00 35.03 32.70 1cur n LYS 21 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cur s ASP 22 N 1.99 4.32 0.00 4.39 1.01 -1.26 -4.74 116.67 122.39 1cur s ASP 22 Ca 0.66 -1.77 -0.02 0.00 0.71 0.00 0.00 52.55 52.12 1cur s ASP 22 Cb 0.18 -1.26 -0.11 0.00 1.01 0.00 0.00 42.92 42.73 1cur s ASP 22 CO -0.07 -0.36 2.15 0.35 0.21 0.00 0.00 175.17 177.45 1cur n THR 23 N 4.55 1.80 -4.03 -1.27 -2.24 -1.26 -4.80 114.28 107.03 1cur n THR 23 Ca -0.02 -0.76 -0.33 0.00 -2.27 0.00 0.00 64.05 60.67 1cur n THR 23 Cb 0.42 -1.64 -0.15 0.00 -2.10 0.00 0.00 70.33 66.86 1cur n THR 23 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1cur s GLY 24 N 2.18 1.62 0.90 3.38 0.00 -1.26 -3.54 107.32 110.61 1cur s GLY 24 Ca 0.28 -1.62 -0.15 0.00 0.00 0.00 0.00 44.72 43.22 1cur s GLY 24 CO 0.00 0.55 1.18 0.28 0.00 0.00 0.00 173.10 175.11 1cur n LYS 25 N 4.54 -1.32 -4.26 2.90 5.02 0.86 -4.77 118.16 121.13 1cur n LYS 25 Ca -0.15 -1.82 -0.28 0.00 -2.02 0.00 0.00 58.31 54.03 1cur n LYS 25 Cb 0.44 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.11 1cur n LYS 25 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1cur s VAL 26 N -3.54 3.27 -0.44 -0.18 1.01 -1.26 -0.42 120.40 118.83 1cur s VAL 26 Ca 0.67 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1cur s VAL 26 Cb -0.02 -2.57 0.22 0.00 0.00 0.00 0.00 36.38 34.01 1cur s VAL 26 CO 0.48 0.00 0.63 -1.20 0.00 0.00 0.00 175.10 175.01 1cur n SER 27 N 0.37 -1.44 0.00 3.32 7.64 0.41 -4.76 113.62 119.15 1cur n SER 27 Ca -0.12 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1cur n SER 27 Cb 0.54 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 1cur n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cur n GLY 28 N 1.98 1.06 2.30 0.23 0.00 -1.26 -3.42 105.19 106.09 1cur n GLY 28 Ca 0.19 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1cur n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cur n ASP 29 N 1.01 8.24 -3.56 1.61 2.03 -1.26 -4.73 116.55 119.88 1cur n ASP 29 Ca 0.00 -2.55 -0.16 0.00 0.52 0.00 0.00 54.79 52.61 1cur n ASP 29 Cb 0.00 -1.52 -0.06 0.00 -0.72 0.00 0.00 41.12 38.82 1cur n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1cur s THR 30 N 2.14 0.00 0.03 5.18 2.01 -1.22 -4.31 115.64 119.47 1cur s THR 30 Ca 0.68 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.68 1cur s THR 30 Cb 0.19 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1cur s THR 30 CO -0.05 0.00 0.13 -0.69 -0.69 0.00 0.00 174.62 173.32 1cur s VAL 31 N -0.63 4.99 -0.19 3.82 1.01 0.05 -0.45 120.40 129.01 1cur s VAL 31 Ca -0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1cur s VAL 31 Cb -0.02 -3.36 0.06 0.00 0.00 0.00 0.00 36.38 33.06 1cur s VAL 31 CO 0.06 0.24 0.03 -0.89 0.00 0.00 0.00 175.10 174.53 1cur s THR 32 N -1.35 0.55 0.74 3.92 2.01 0.43 -0.45 115.64 121.49 1cur s THR 32 Ca 0.28 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 1cur s THR 32 Cb -0.12 -1.03 0.06 0.00 0.01 0.00 0.00 72.50 71.41 1cur s THR 32 CO 0.20 -0.18 1.08 -0.31 -0.69 0.00 0.00 174.62 174.73 1cur s TYR 33 N 1.85 3.00 0.12 4.92 1.51 0.07 -0.10 117.35 128.71 1cur s TYR 33 Ca -0.01 0.64 -0.18 0.00 -1.01 0.00 0.00 57.07 56.51 1cur s TYR 33 Cb -0.17 -3.27 0.04 0.00 -0.11 0.00 0.00 41.96 38.46 1cur s TYR 33 CO -0.08 -1.48 0.45 -1.12 -1.11 0.00 0.00 175.55 172.21 1cur s SER 34 N -4.51 -0.32 0.16 2.29 0.01 -1.23 -4.61 113.70 105.49 1cur s SER 34 Ca 0.60 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1cur s SER 34 Cb -0.11 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1cur s SER 34 CO 0.47 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1cur n GLY 35 N -0.14 -2.09 0.09 3.44 0.00 -1.26 -4.55 105.19 100.69 1cur n GLY 35 Ca -0.17 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 1cur n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cur h LYS 36 N 0.00 0.00 -3.96 1.61 1.79 -1.95 -3.41 116.57 110.64 1cur h LYS 36 Ca 0.01 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.78 1cur h LYS 36 Cb 0.55 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1cur h LYS 36 CO 0.00 0.54 3.12 2.41 -1.08 0.00 0.00 179.45 184.44 1cur n THR 37 N -3.10 3.38 -2.81 -0.16 -1.04 -1.26 -0.35 114.28 108.94 1cur n THR 37 Ca -0.07 -2.85 -0.44 0.00 -2.04 0.00 0.00 64.05 58.65 1cur n THR 37 Cb 0.89 -2.58 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 1cur n THR 37 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1cur n VAL 38 N 5.05 4.22 -2.72 12.58 0.31 -0.90 -4.71 118.33 132.17 1cur n VAL 38 Ca 0.54 -4.59 -0.42 0.00 -0.01 0.00 0.00 64.34 59.85 1cur n VAL 38 Cb 0.38 -2.44 -0.03 0.00 -0.91 0.00 0.00 33.84 30.83 1cur n VAL 38 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1cur s HIS 39 N 1.72 2.69 -0.57 3.52 2.46 -1.26 -0.45 115.29 123.39 1cur s HIS 39 Ca 0.44 0.16 -0.08 0.00 0.47 0.00 0.00 55.06 56.05 1cur s HIS 39 Cb -0.00 -4.29 0.15 0.00 -0.13 0.00 0.00 32.58 28.31 1cur s HIS 39 CO 0.01 -1.49 0.44 0.08 -2.47 0.00 0.00 174.74 171.31 1cur s VAL 40 N 4.45 4.29 -0.17 0.89 1.01 -0.05 -4.13 120.40 126.69 1cur s VAL 40 Ca 0.36 -2.23 -0.26 0.00 0.00 0.00 0.00 61.98 59.85 1cur s VAL 40 Cb -0.10 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1cur s VAL 40 CO 0.22 -0.84 0.86 -0.69 0.00 0.00 0.00 175.10 174.64 1cur s VAL 41 N 0.77 4.85 -0.15 2.92 1.01 -1.26 -0.23 120.40 128.31 1cur s VAL 41 Ca 0.11 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.77 1cur s VAL 41 Cb -0.22 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1cur s VAL 41 CO -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 175.10 175.06 1cur s ALA 42 N 2.26 1.13 0.06 5.51 0.00 0.23 -3.20 121.76 127.75 1cur s ALA 42 Ca 0.39 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 1cur s ALA 42 Cb -0.17 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 21.85 1cur s ALA 42 CO 0.12 -0.84 0.43 0.00 0.00 0.00 0.00 175.76 175.47 1cur s ALA 43 N 1.79 3.69 -0.45 0.00 0.00 0.51 -0.54 121.76 126.77 1cur s ALA 43 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1cur s ALA 43 Cb -0.15 -2.35 0.12 0.00 0.00 0.00 0.00 23.12 20.73 1cur s ALA 43 CO -0.07 0.52 0.21 0.00 0.00 0.00 0.00 175.76 176.42 1cur s ALA 44 N -1.29 3.18 -0.71 0.00 0.00 -0.71 -0.65 121.76 121.57 1cur s ALA 44 Ca 0.30 -2.80 -0.06 0.00 0.00 0.00 0.00 51.96 49.40 1cur s ALA 44 Cb -0.15 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.69 1cur s ALA 44 CO 0.17 -1.86 0.64 0.28 0.00 0.00 0.00 175.76 174.99 1cur n VAL 45 N 4.03 -6.58 -2.65 0.00 0.31 -1.25 -3.71 118.33 108.47 1cur n VAL 45 Ca 0.03 0.01 -0.38 0.00 -0.01 0.00 0.00 64.34 63.98 1cur n VAL 45 Cb 0.39 -4.85 -0.05 0.00 -0.91 0.00 0.00 33.84 28.42 1cur n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1cur s LEU 46 N -4.10 4.41 -0.66 7.52 1.43 -1.26 -4.17 118.68 121.84 1cur s LEU 46 Ca 0.07 2.01 -0.38 0.00 -1.03 0.00 0.00 54.13 54.80 1cur s LEU 46 Cb -0.01 -3.87 -0.19 0.00 0.03 0.00 0.00 46.19 42.14 1cur s LEU 46 CO 0.83 -0.13 2.35 -2.65 0.23 0.00 0.00 176.35 176.98 1cur n PRO 47 N 0.77 0.12 0.00 1.29 -0.02 -1.26 -0.73 135.00 135.17 1cur n PRO 47 Ca 0.01 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1cur n PRO 47 Cb 0.48 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1cur n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 48 N 7.02 3.84 3.76 -1.23 0.00 -1.26 -5.11 105.19 112.21 1cur n GLY 48 Ca 0.57 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1cur n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 49 N 0.00 3.63 0.61 1.61 0.08 0.09 -5.03 117.98 118.98 1cur s PHE 49 Ca 0.00 1.75 -0.15 0.00 0.12 0.00 0.00 56.93 58.65 1cur s PHE 49 Cb 0.00 -3.18 -0.03 0.00 -0.57 0.00 0.00 43.02 39.24 1cur s PHE 49 CO 0.00 -0.30 1.05 -1.25 -0.10 0.00 0.00 175.22 174.62 1cur s PRO 50 N -1.56 3.32 0.56 0.24 0.04 -1.26 -4.64 135.00 131.70 1cur s PRO 50 Ca 0.46 1.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 1cur s PRO 50 Cb -0.29 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1cur s PRO 50 CO 0.36 -0.81 1.04 -0.06 0.04 0.00 0.00 177.00 177.58 1cur s PHE 51 N -2.61 3.05 -1.14 0.56 0.40 -1.26 -3.33 117.98 113.65 1cur s PHE 51 Ca 0.62 1.52 0.24 0.00 -0.60 0.00 0.00 56.93 58.71 1cur s PHE 51 Cb -0.15 -2.99 0.39 0.00 0.51 0.00 0.00 43.02 40.78 1cur s PHE 51 CO 0.40 -0.95 1.33 -0.35 0.70 0.00 0.00 175.22 176.35 1cur n PRO 52 N -1.73 0.16 -1.45 0.24 -0.04 -1.26 -5.11 135.00 125.81 1cur n PRO 52 Ca 0.09 -0.10 -0.56 0.00 -0.04 0.00 0.00 63.50 62.88 1cur n PRO 52 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 1cur n PRO 52 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cur n SER 53 N -1.33 0.87 -4.67 3.54 3.41 -1.21 -4.66 113.62 109.57 1cur n SER 53 Ca 0.06 1.00 -0.43 0.00 -0.26 0.00 0.00 58.87 59.25 1cur n SER 53 Cb 0.34 -0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 1cur n SER 53 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1cur s PHE 54 N 2.16 3.14 -0.40 7.33 0.08 -1.26 -3.93 117.98 125.10 1cur s PHE 54 Ca 0.87 1.26 -0.18 0.00 0.12 0.00 0.00 56.93 59.00 1cur s PHE 54 Cb -1.24 -3.38 0.01 0.00 -0.57 0.00 0.00 43.02 37.84 1cur s PHE 54 CO 0.66 -1.07 0.51 -1.21 -0.10 0.00 0.00 175.22 174.01 1cur s GLU 55 N 2.98 3.35 -0.90 0.44 8.01 0.18 -0.25 118.70 132.50 1cur s GLU 55 Ca 0.51 -0.44 -0.04 0.00 0.01 0.00 0.00 54.97 55.01 1cur s GLU 55 Cb -0.20 -3.90 0.22 0.00 -4.31 0.00 0.00 34.13 25.95 1cur s GLU 55 CO 0.14 -0.80 0.81 0.08 0.01 0.00 0.00 175.26 175.50 1cur s VAL 56 N 2.38 4.64 0.00 2.63 1.01 0.97 -0.36 120.40 131.67 1cur s VAL 56 Ca 0.17 -3.65 0.00 0.00 0.00 0.00 0.00 61.98 58.50 1cur s VAL 56 Cb -0.16 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1cur s VAL 56 CO 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 175.10 174.16 1cur n HIS 57 N 2.57 0.00 0.11 5.22 1.44 -1.19 -1.04 115.22 122.32 1cur n HIS 57 Ca 0.20 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.88 1cur n HIS 57 Cb 0.38 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.54 1cur n HIS 57 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1cur h ASP 58 N 0.00 0.00 -3.17 4.39 1.82 -1.92 -3.47 116.42 114.07 1cur h ASP 58 Ca 0.00 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.45 1cur h ASP 58 Cb 0.00 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 1cur h ASP 58 CO 0.00 0.75 -0.17 0.29 -1.61 0.00 0.00 179.24 178.50 1cur n LYS 59 N -3.57 0.38 -4.54 0.28 5.02 -0.21 -5.16 118.16 110.36 1cur n LYS 59 Ca -0.00 -1.26 -0.28 0.00 -2.02 0.00 0.00 58.31 54.75 1cur n LYS 59 Cb 0.75 0.91 -0.17 0.00 -0.02 0.00 0.00 35.03 36.50 1cur n LYS 59 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cur s LYS 60 N -2.53 2.10 -1.51 1.97 1.02 -1.26 -0.02 119.74 119.51 1cur s LYS 60 Ca 0.12 -0.53 -0.09 0.00 0.02 0.00 0.00 55.97 55.49 1cur s LYS 60 Cb 0.01 -1.76 0.07 0.00 -0.52 0.00 0.00 37.83 35.62 1cur s LYS 60 CO 0.09 -0.02 0.76 0.09 -0.92 0.00 0.00 175.35 175.34 1cur n ASN 61 N 4.05 -2.79 -4.43 2.83 3.02 0.65 -4.89 115.26 113.70 1cur n ASN 61 Ca -0.20 -0.89 -0.28 0.00 -0.03 0.00 0.00 54.58 53.18 1cur n ASN 61 Cb 0.51 -3.45 0.14 0.00 -0.61 0.00 0.00 39.78 36.38 1cur n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1cur s PRO 62 N -6.57 1.20 0.04 3.52 0.04 -1.26 -4.65 135.00 127.31 1cur s PRO 62 Ca 0.42 -0.49 -0.09 0.00 0.04 0.00 0.00 61.00 60.88 1cur s PRO 62 Cb -0.22 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1cur s PRO 62 CO 0.86 -1.97 0.35 0.99 0.04 0.00 0.00 177.00 177.27 1cur s THR 63 N -3.61 5.17 0.03 1.26 2.01 -1.26 -3.90 115.64 115.34 1cur s THR 63 Ca 0.69 0.40 0.07 0.00 0.31 0.00 0.00 61.69 63.17 1cur s THR 63 Cb -0.06 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1cur s THR 63 CO 0.50 0.37 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.83 1cur s LEU 64 N -1.71 2.47 -0.19 4.42 1.02 0.33 -0.77 118.68 124.25 1cur s LEU 64 Ca 0.29 -0.45 -0.04 0.00 0.02 0.00 0.00 54.13 53.96 1cur s LEU 64 Cb -0.14 -1.45 -0.02 0.00 0.02 0.00 0.00 46.19 44.60 1cur s LEU 64 CO 0.16 0.27 -0.04 -1.61 0.02 0.00 0.00 176.35 175.16 1cur s GLU 65 N -1.25 3.54 -0.02 1.70 0.41 0.40 -0.62 118.70 122.86 1cur s GLU 65 Ca 0.13 -0.57 0.04 0.00 -0.41 0.00 0.00 54.97 54.16 1cur s GLU 65 Cb -0.10 -2.97 -0.01 0.00 -1.78 0.00 0.00 34.13 29.27 1cur s GLU 65 CO 0.03 0.04 -0.12 0.42 -0.49 0.00 0.00 175.26 175.14 1cur s ILE 66 N 0.90 1.00 -0.24 -1.63 1.01 0.21 -0.76 121.20 121.70 1cur s ILE 66 Ca -0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1cur s ILE 66 Cb -0.15 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 1cur s ILE 66 CO 0.01 0.29 1.22 -2.16 0.00 0.00 0.00 174.94 174.31 1cur s PRO 67 N -0.11 4.11 0.33 2.79 0.04 -1.26 -0.64 135.00 140.27 1cur s PRO 67 Ca 0.01 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.20 1cur s PRO 67 Cb -0.07 -3.78 -0.13 0.00 0.04 0.00 0.00 34.50 30.56 1cur s PRO 67 CO 0.00 -0.86 0.94 0.00 0.04 0.00 0.00 177.00 177.12 1cur n ALA 68 N 6.94 -0.39 -0.71 8.56 0.00 0.44 -1.98 120.51 133.38 1cur n ALA 68 Ca 0.14 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1cur n ALA 68 Cb 0.46 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1cur n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 69 N 1.31 1.11 3.75 0.00 0.00 -0.02 -5.00 105.19 106.33 1cur n GLY 69 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1cur n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cur s ALA 70 N -3.18 2.15 -0.90 4.61 0.00 -0.84 -4.86 121.76 118.74 1cur s ALA 70 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 51.96 52.14 1cur s ALA 70 Cb 0.00 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.86 1cur s ALA 70 CO 0.00 -1.86 1.28 0.99 0.00 0.00 0.00 175.76 176.17 1cur s THR 71 N -2.71 4.11 -0.76 0.00 2.01 0.53 -4.18 115.64 114.65 1cur s THR 71 Ca 0.64 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.72 1cur s THR 71 Cb -0.19 -4.92 0.03 0.00 0.01 0.00 0.00 72.50 67.42 1cur s THR 71 CO 0.53 -1.76 1.33 -0.69 -0.69 0.00 0.00 174.62 173.34 1cur s VAL 72 N 4.50 3.72 -0.89 3.82 1.01 0.11 -2.13 120.40 130.54 1cur s VAL 72 Ca 0.38 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 1cur s VAL 72 Cb -0.05 -4.87 0.14 0.00 0.00 0.00 0.00 36.38 31.60 1cur s VAL 72 CO -0.02 -1.81 1.04 -1.81 0.00 0.00 0.00 175.10 172.50 1cur s ASP 73 N 4.11 6.62 -0.56 3.32 1.11 0.40 -0.48 116.67 131.20 1cur s ASP 73 Ca 0.38 -2.11 -0.28 0.00 0.18 0.00 0.00 52.55 50.72 1cur s ASP 73 Cb -0.08 -2.36 0.02 0.00 1.07 0.00 0.00 42.92 41.57 1cur s ASP 73 CO 0.13 -0.99 1.36 -0.69 1.18 0.00 0.00 175.17 176.16 1cur s VAL 74 N 2.25 3.85 -0.56 -1.27 1.01 0.27 -0.87 120.40 125.08 1cur s VAL 74 Ca 0.29 0.74 -0.15 0.00 0.00 0.00 0.00 61.98 62.86 1cur s VAL 74 Cb -0.07 -4.50 0.14 0.00 0.00 0.00 0.00 36.38 31.95 1cur s VAL 74 CO -0.08 -1.20 0.51 -0.89 0.00 0.00 0.00 175.10 173.44 1cur s THR 75 N 5.75 5.16 0.63 3.92 2.01 0.68 -0.59 115.64 133.20 1cur s THR 75 Ca 0.50 -1.63 -0.12 0.00 0.31 0.00 0.00 61.69 60.76 1cur s THR 75 Cb -0.10 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 1cur s THR 75 CO 0.25 -0.88 1.04 -0.36 -0.69 0.00 0.00 174.62 173.99 1cur s PHE 76 N 1.43 3.33 -0.39 4.92 0.08 0.16 -0.60 117.98 126.91 1cur s PHE 76 Ca 0.05 1.39 0.09 0.00 0.12 0.00 0.00 56.93 58.57 1cur s PHE 76 Cb -0.28 -2.82 0.27 0.00 -0.57 0.00 0.00 43.02 39.62 1cur s PHE 76 CO 0.02 -0.91 0.56 -0.89 -0.10 0.00 0.00 175.22 173.89 1cur n ILE 77 N -2.69 -0.51 -2.07 0.64 -0.00 0.30 -3.18 119.36 111.85 1cur n ILE 77 Ca 0.07 -4.15 -0.42 0.00 -0.00 0.00 0.00 62.75 58.26 1cur n ILE 77 Cb 0.54 -1.67 -0.00 0.00 -0.00 0.00 0.00 39.64 38.50 1cur n ILE 77 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1cur n ASN 78 N 1.20 5.82 -4.07 4.38 4.05 0.13 -1.74 115.26 125.03 1cur n ASN 78 Ca 0.22 -3.03 -0.35 0.00 0.45 0.00 0.00 54.58 51.87 1cur n ASN 78 Cb 0.55 -1.49 -0.08 0.00 1.23 0.00 0.00 39.78 39.99 1cur n ASN 78 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1cur s THR 79 N 0.66 3.95 -0.18 -0.44 2.01 -1.25 -4.62 115.64 115.78 1cur s THR 79 Ca 0.46 -3.70 0.01 0.00 0.31 0.00 0.00 61.69 58.77 1cur s THR 79 Cb 0.13 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1cur s THR 79 CO -0.04 -1.02 -0.20 0.21 -0.69 0.00 0.00 174.62 172.89 1cur s ASN 80 N -0.14 3.13 -1.05 3.53 3.84 -1.24 -4.16 114.94 118.85 1cur s ASN 80 Ca 0.24 -0.65 -0.20 0.00 0.21 0.00 0.00 52.86 52.46 1cur s ASN 80 Cb -0.10 -1.47 -0.08 0.00 -0.55 0.00 0.00 41.25 39.04 1cur s ASN 80 CO -0.11 -0.00 1.97 0.29 -2.79 0.00 0.00 177.10 176.47 1cur n LYS 81 N 4.62 1.97 0.00 0.43 4.01 -1.26 -3.27 118.16 124.67 1cur n LYS 81 Ca -0.21 -2.26 0.00 0.00 -0.51 0.00 0.00 58.31 55.33 1cur n LYS 81 Cb 0.50 -3.20 0.00 0.00 -0.51 0.00 0.00 35.03 31.82 1cur n LYS 81 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1cur n GLY 82 N 4.75 -0.49 3.53 0.72 0.00 -1.26 -5.11 105.19 107.34 1cur n GLY 82 Ca 0.49 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 46.42 1cur n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 83 N 0.00 3.15 0.00 1.61 0.40 -1.20 -4.94 117.98 117.00 1cur s PHE 83 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1cur s PHE 83 Cb 0.00 -3.00 0.00 0.00 0.51 0.00 0.00 43.02 40.53 1cur s PHE 83 CO 0.00 -0.64 1.30 0.41 0.70 0.00 0.00 175.22 176.99 1cur n GLY 84 N 4.92 1.82 0.00 4.36 0.00 -1.26 -4.36 105.19 110.66 1cur n GLY 84 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1cur n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cur n HIS 85 N 1.56 0.00 0.00 1.61 8.25 -1.26 -1.12 115.22 124.25 1cur n HIS 85 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cur n HIS 85 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1cur n HIS 85 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1cur n SER 86 N 0.00 0.00 -3.75 0.41 3.41 -1.26 -3.60 113.62 108.83 1cur n SER 86 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1cur n SER 86 Cb 0.00 0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 63.81 1cur n SER 86 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1cur s PHE 87 N -2.55 1.10 -0.00 7.33 2.19 -1.26 -4.14 117.98 120.65 1cur s PHE 87 Ca 0.00 -0.89 0.07 0.00 0.33 0.00 0.00 56.93 56.44 1cur s PHE 87 Cb 0.00 -1.06 -0.02 0.00 -1.31 0.00 0.00 43.02 40.64 1cur s PHE 87 CO 0.00 -0.61 -0.22 -0.51 1.83 0.00 0.00 175.22 175.71 1cur s ASP 88 N 1.83 2.63 -0.15 6.13 1.11 -0.06 -0.72 116.67 127.44 1cur s ASP 88 Ca -0.01 -0.43 0.00 0.00 0.18 0.00 0.00 52.55 52.29 1cur s ASP 88 Cb -0.17 -0.28 -0.01 0.00 1.07 0.00 0.00 42.92 43.54 1cur s ASP 88 CO -0.08 0.26 -0.14 -0.63 1.18 0.00 0.00 175.17 175.76 1cur s ILE 89 N -0.58 2.78 0.19 0.77 1.01 0.74 -0.78 121.20 125.34 1cur s ILE 89 Ca 0.09 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 1cur s ILE 89 Cb -0.09 -2.17 0.05 0.00 0.01 0.00 0.00 42.46 40.26 1cur s ILE 89 CO -0.00 0.52 0.70 0.28 0.00 0.00 0.00 174.94 176.43 1cur s THR 90 N 0.69 0.00 -1.03 2.92 -1.32 0.02 -0.84 115.64 116.08 1cur s THR 90 Ca -0.07 -0.45 -0.07 0.00 -1.21 0.00 0.00 61.69 59.89 1cur s THR 90 Cb -0.16 -1.47 -0.06 0.00 -1.51 0.00 0.00 72.50 69.30 1cur s THR 90 CO 0.02 0.00 2.96 0.29 -2.21 0.00 0.00 174.62 175.67 1cur n LYS 91 N -0.41 3.36 -3.60 7.08 5.02 -1.26 -0.09 118.16 128.26 1cur n LYS 91 Ca -0.10 -2.25 -0.40 0.00 -2.02 0.00 0.00 58.31 53.53 1cur n LYS 91 Cb 0.62 -2.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.03 1cur n LYS 91 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cur s LYS 92 N 0.59 2.73 0.79 1.97 -0.14 -1.26 -4.92 119.74 119.50 1cur s LYS 92 Ca 0.64 -1.25 -0.10 0.00 -1.36 0.00 0.00 55.97 53.90 1cur s LYS 92 Cb 0.24 -3.74 0.07 0.00 -1.68 0.00 0.00 37.83 32.71 1cur s LYS 92 CO -0.08 -0.81 1.10 0.20 -0.76 0.00 0.00 175.35 175.00 1cur s GLY 93 N 1.80 1.67 0.83 -3.33 0.00 -1.26 -4.61 107.32 102.41 1cur s GLY 93 Ca 0.02 0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.92 1cur s GLY 93 CO 0.05 0.64 1.09 2.56 0.00 0.00 0.00 173.10 177.44 1cur s PRO 94 N -4.88 1.82 0.62 2.90 0.04 -1.26 -4.59 135.00 129.65 1cur s PRO 94 Ca 0.62 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 1cur s PRO 94 Cb -0.18 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1cur s PRO 94 CO 0.56 -1.91 1.03 -1.25 0.04 0.00 0.00 177.00 175.48 1cur s PRO 95 N -4.91 3.44 0.19 0.56 0.04 -1.26 -5.17 135.00 127.89 1cur s PRO 95 Ca 0.62 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1cur s PRO 95 Cb -0.18 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1cur s PRO 95 CO 0.56 -0.70 0.39 0.71 0.04 0.00 0.00 177.00 178.01 1cur s TYR 96 N -2.99 3.48 0.48 0.56 2.02 -1.26 -5.06 117.35 114.59 1cur s TYR 96 Ca 0.57 0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 57.48 1cur s TYR 96 Cb -0.12 -1.90 -0.09 0.00 -0.40 0.00 0.00 41.96 39.46 1cur s TYR 96 CO 0.49 0.38 1.01 0.00 -1.57 0.00 0.00 175.55 175.86 1cur s ALA 97 N -1.84 2.93 0.29 3.71 0.00 -1.26 -4.26 121.76 121.33 1cur s ALA 97 Ca 0.39 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 1cur s ALA 97 Cb -0.11 -3.20 0.40 0.00 0.00 0.00 0.00 23.12 20.20 1cur s ALA 97 CO 0.28 -0.22 1.95 0.28 0.00 0.00 0.00 175.76 178.05 1cur h VAL 98 N 1.46 1.22 -3.50 0.00 2.07 -1.96 -3.39 116.25 112.16 1cur h VAL 98 Ca -0.49 -0.45 -0.52 0.00 0.82 0.00 0.00 66.70 66.06 1cur h VAL 98 Cb 1.20 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1cur h VAL 98 CO 0.60 0.22 0.41 -0.04 0.02 0.00 0.00 177.57 178.78 1cur s MET 99 N -5.90 4.62 -1.23 1.57 -1.94 -1.26 -0.35 119.30 114.81 1cur s MET 99 Ca -0.12 1.53 -0.21 0.00 -1.71 0.00 0.00 55.69 55.19 1cur s MET 99 Cb 0.18 -3.37 -0.01 0.00 2.01 0.00 0.00 34.83 33.63 1cur s MET 99 CO 0.80 0.09 1.83 -1.25 -0.01 0.00 0.00 175.02 176.48 1cur s PRO 100 N 0.23 3.21 -1.15 2.03 0.04 -1.26 -4.86 135.00 133.24 1cur s PRO 100 Ca 0.50 -1.54 -0.21 0.00 0.04 0.00 0.00 61.00 59.79 1cur s PRO 100 Cb -0.25 -5.38 0.02 0.00 0.04 0.00 0.00 34.50 28.94 1cur s PRO 100 CO 0.30 -3.14 1.71 0.08 0.04 0.00 0.00 177.00 176.00 1cur s VAL 101 N 7.73 3.88 -1.19 -0.36 1.01 -1.26 -4.88 120.40 125.33 1cur s VAL 101 Ca 0.61 -1.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1cur s VAL 101 Cb 0.01 -4.91 0.03 0.00 0.00 0.00 0.00 36.38 31.52 1cur s VAL 101 CO 0.10 -1.69 1.72 0.27 0.00 0.00 0.00 175.10 175.50 1cur s ILE 102 N 6.33 3.93 0.75 2.22 -4.36 -1.26 -4.96 121.20 123.85 1cur s ILE 102 Ca 0.56 -1.38 -0.15 0.00 -0.26 0.00 0.00 60.65 59.43 1cur s ILE 102 Cb 0.01 -4.98 0.05 0.00 1.25 0.00 0.00 42.46 38.78 1cur s ILE 102 CO 0.02 -1.76 1.21 -1.81 0.24 0.00 0.00 174.94 172.84 1cur s ASP 103 N 5.04 4.09 -0.43 4.36 1.11 -1.26 -4.73 116.67 124.85 1cur s ASP 103 Ca 0.56 2.35 -0.38 0.00 0.18 0.00 0.00 52.55 55.25 1cur s ASP 103 Cb 0.02 -2.59 -0.17 0.00 1.07 0.00 0.00 42.92 41.25 1cur s ASP 103 CO 0.04 -2.34 1.72 -2.65 1.18 0.00 0.00 175.17 173.12 1cur n PRO 104 N -2.84 0.00 -2.72 8.23 -0.02 -1.26 -4.89 135.00 131.49 1cur n PRO 104 Ca 0.13 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.21 1cur n PRO 104 Cb 0.50 -1.29 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 1cur n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1cur s ILE 105 N 4.48 4.06 0.00 4.25 -1.09 -1.26 -4.81 121.20 126.83 1cur s ILE 105 Ca 1.00 2.03 0.00 0.00 -2.23 0.00 0.00 60.65 61.45 1cur s ILE 105 Cb -1.29 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 35.30 1cur s ILE 105 CO 0.60 0.47 0.00 0.52 -1.23 0.00 0.00 174.94 175.30 1cur n VAL 106 N 1.60 0.00 -3.59 2.92 0.31 -0.02 -4.96 118.33 114.59 1cur n VAL 106 Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 1cur n VAL 106 Cb 0.47 -0.18 -0.05 0.00 -0.91 0.00 0.00 33.84 33.17 1cur n VAL 106 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cur s ALA 107 N -4.05 3.73 0.08 3.52 0.00 -1.22 -4.87 121.76 118.95 1cur s ALA 107 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 51.96 51.32 1cur s ALA 107 Cb 0.00 -2.25 0.08 0.00 0.00 0.00 0.00 23.12 20.95 1cur s ALA 107 CO 0.00 0.59 1.03 0.41 0.00 0.00 0.00 175.76 177.79 1cur n GLY 108 N 0.66 0.47 0.00 0.00 0.00 0.07 -0.19 105.19 106.20 1cur n GLY 108 Ca -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1cur n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cur n THR 109 N -0.74 0.00 -1.92 2.61 -2.24 0.10 -2.76 114.28 109.34 1cur n THR 109 Ca 0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1cur n THR 109 Cb 0.52 -0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1cur n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cur n GLY 110 N 3.09 -2.14 3.76 3.38 0.00 -1.26 -0.22 105.19 111.81 1cur n GLY 110 Ca 0.00 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 1cur n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 111 N -0.60 3.68 0.46 1.61 0.08 -1.26 -4.06 117.98 117.88 1cur s PHE 111 Ca 0.00 1.77 -0.12 0.00 0.12 0.00 0.00 56.93 58.70 1cur s PHE 111 Cb 0.00 -3.10 -0.07 0.00 -0.57 0.00 0.00 43.02 39.28 1cur s PHE 111 CO 0.00 -0.12 0.86 -1.54 -0.10 0.00 0.00 175.22 174.32 1cur s SER 112 N -1.21 6.53 -1.12 1.36 1.04 -0.28 -4.96 113.70 115.07 1cur s SER 112 Ca 0.46 1.29 -0.20 0.00 0.48 0.00 0.00 55.95 57.98 1cur s SER 112 Cb -0.26 -2.39 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 1cur s SER 112 CO 0.33 -0.49 1.94 -0.81 0.98 0.00 0.00 173.24 175.19 1cur n PRO 113 N -1.50 2.08 -0.03 4.02 -0.04 -1.26 -4.58 135.00 133.69 1cur n PRO 113 Ca 0.04 -2.44 -0.01 0.00 -0.04 0.00 0.00 63.50 61.05 1cur n PRO 113 Cb 0.54 -3.34 -0.00 0.00 -0.04 0.00 0.00 33.50 30.65 1cur n PRO 113 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1cur n VAL 114 N 6.48 0.00 -0.89 0.52 0.31 -1.26 -4.83 118.33 118.66 1cur n VAL 114 Ca 0.48 -0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.52 1cur n VAL 114 Cb 0.43 -0.01 0.22 0.00 -0.91 0.00 0.00 33.84 33.58 1cur n VAL 114 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1cur s PRO 115 N 0.14 -0.59 0.13 5.55 0.02 -1.26 -4.98 135.00 134.00 1cur s PRO 115 Ca 0.02 0.47 0.08 0.00 0.02 0.00 0.00 61.00 61.60 1cur s PRO 115 Cb -0.02 -1.62 -0.04 0.00 0.02 0.00 0.00 34.50 32.84 1cur s PRO 115 CO 0.01 -3.41 -0.20 0.15 -0.33 0.00 0.00 177.00 173.22 1cur s LYS 116 N -4.87 1.20 0.00 5.54 -0.14 -1.26 -4.70 119.74 115.50 1cur s LYS 116 Ca 0.67 -1.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 1cur s LYS 116 Cb -0.19 -1.40 0.00 0.00 -1.68 0.00 0.00 37.83 34.56 1cur s LYS 116 CO 0.60 0.31 0.00 -0.25 -0.76 0.00 0.00 175.35 175.25 1cur n ASP 117 N 0.78 0.00 -0.46 2.83 9.92 -1.26 -0.84 116.55 127.52 1cur n ASP 117 Ca -0.17 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.22 1cur n ASP 117 Cb 0.55 0.00 0.37 0.00 -0.64 0.00 0.00 41.12 41.40 1cur n ASP 117 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cur n GLY 118 N 0.00 -0.07 3.87 0.44 0.00 -1.26 -4.95 105.19 103.22 1cur n GLY 118 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1cur n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 119 N -2.21 3.83 -0.16 1.61 1.02 -0.02 -2.18 119.74 121.64 1cur s LYS 119 Ca 0.30 0.50 -0.04 0.00 0.02 0.00 0.00 55.97 56.75 1cur s LYS 119 Cb 0.20 -2.42 0.06 0.00 -0.52 0.00 0.00 37.83 35.15 1cur s LYS 119 CO 0.41 0.03 0.07 -0.06 -0.92 0.00 0.00 175.35 174.89 1cur s PHE 120 N -2.24 0.43 -0.39 3.18 0.08 0.48 -4.43 117.98 115.08 1cur s PHE 120 Ca 0.52 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.88 1cur s PHE 120 Cb -0.10 -0.77 0.02 0.00 -0.57 0.00 0.00 43.02 41.60 1cur s PHE 120 CO 0.27 -0.50 1.16 0.20 -0.10 0.00 0.00 175.22 176.26 1cur s GLY 121 N 2.06 1.39 0.32 4.36 0.00 -1.26 -0.24 107.32 113.94 1cur s GLY 121 Ca 0.02 -0.21 0.09 0.00 0.00 0.00 0.00 44.72 44.62 1cur s GLY 121 CO -0.08 2.42 -0.09 -2.52 0.00 0.00 0.00 173.10 172.83 1cur s TYR 122 N 4.24 2.27 -0.30 1.90 1.13 0.39 -0.69 117.35 126.28 1cur s TYR 122 Ca 0.49 -0.54 -0.10 0.00 -1.41 0.00 0.00 57.07 55.51 1cur s TYR 122 Cb -0.11 -1.27 0.17 0.00 -1.10 0.00 0.00 41.96 39.64 1cur s TYR 122 CO 0.25 0.51 0.83 0.99 -2.51 0.00 0.00 175.55 175.62 1cur s THR 123 N -2.71 -0.70 -1.40 -3.49 2.01 -1.19 -1.86 115.64 106.29 1cur s THR 123 Ca 0.31 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.21 1cur s THR 123 Cb 0.02 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.61 1cur s THR 123 CO 0.15 0.00 2.22 0.47 -0.69 0.00 0.00 174.62 176.77 1cur n ASP 124 N 5.29 5.59 -4.67 3.53 9.92 -1.26 -0.67 116.55 134.29 1cur n ASP 124 Ca -0.07 -2.95 -0.42 0.00 -0.53 0.00 0.00 54.79 50.82 1cur n ASP 124 Cb 0.52 -1.54 -0.03 0.00 -0.64 0.00 0.00 41.12 39.43 1cur n ASP 124 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1cur s PHE 125 N 1.38 2.25 -0.18 1.24 -0.71 0.24 -4.72 117.98 117.49 1cur s PHE 125 Ca 0.48 0.33 -0.12 0.00 -1.04 0.00 0.00 56.93 56.58 1cur s PHE 125 Cb 0.14 -3.89 -0.05 0.00 -1.21 0.00 0.00 43.02 38.00 1cur s PHE 125 CO -0.05 -3.65 0.22 0.99 -1.34 0.00 0.00 175.22 171.39 1cur s THR 126 N 3.33 5.36 0.01 -4.49 2.01 -1.26 -0.56 115.64 120.03 1cur s THR 126 Ca 0.72 0.38 -0.00 0.00 0.31 0.00 0.00 61.69 63.10 1cur s THR 126 Cb -0.35 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1cur s THR 126 CO 0.30 0.41 -0.02 0.86 -0.69 0.00 0.00 174.62 175.49 1cur s TRP 127 N 0.41 0.14 -0.51 4.92 -0.00 0.37 -0.72 118.94 123.54 1cur s TRP 127 Ca 0.13 -0.28 -0.01 0.00 -0.00 0.00 0.00 56.10 55.93 1cur s TRP 127 Cb -0.12 -0.10 0.13 0.00 -0.00 0.00 0.00 33.47 33.38 1cur s TRP 127 CO 0.01 -0.10 0.30 -1.01 -0.00 0.00 0.00 176.95 176.15 1cur s HIS 128 N -0.77 3.46 0.44 5.86 3.76 -1.26 0.04 115.29 126.81 1cur s HIS 128 Ca -0.08 -2.74 -0.20 0.00 -0.15 0.00 0.00 55.06 51.88 1cur s HIS 128 Cb -0.05 -3.11 -0.11 0.00 1.11 0.00 0.00 32.58 30.42 1cur s HIS 128 CO -0.01 -0.87 0.95 -1.25 -0.85 0.00 0.00 174.74 172.71 1cur s PRO 129 N 0.36 4.20 0.16 8.40 0.04 -1.26 -4.82 135.00 142.07 1cur s PRO 129 Ca 0.14 1.09 0.03 0.00 0.04 0.00 0.00 61.00 62.30 1cur s PRO 129 Cb -0.22 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1cur s PRO 129 CO -0.04 -0.05 0.25 0.95 0.04 0.00 0.00 177.00 178.16 1cur s THR 130 N -2.22 5.13 0.37 1.26 -4.23 -1.26 -0.84 115.64 113.85 1cur s THR 130 Ca 0.61 -0.79 -0.26 0.00 -1.18 0.00 0.00 61.69 60.07 1cur s THR 130 Cb -0.09 -3.65 -0.12 0.00 1.34 0.00 0.00 72.50 69.99 1cur s THR 130 CO 0.15 -0.11 1.13 0.00 -0.54 0.00 0.00 174.62 175.25 1cur n ALA 131 N -0.55 0.59 0.00 3.99 0.00 -1.26 -4.79 120.51 118.49 1cur n ALA 131 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1cur n ALA 131 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1cur n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 132 N 1.01 1.74 3.47 0.00 0.00 0.53 -4.95 105.19 106.99 1cur n GLY 132 Ca 0.08 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 1cur n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cur s THR 133 N -1.35 5.18 0.48 2.61 2.01 -1.26 -0.61 115.64 122.70 1cur s THR 133 Ca 0.00 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.57 1cur s THR 133 Cb 0.00 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.56 1cur s THR 133 CO 0.00 -0.37 0.62 -0.31 -0.69 0.00 0.00 174.62 173.87 1cur s TYR 134 N 1.90 2.23 0.01 4.92 1.51 0.16 -4.66 117.35 123.42 1cur s TYR 134 Ca 0.08 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1cur s TYR 134 Cb -0.18 -2.27 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 1cur s TYR 134 CO 0.12 -0.66 -0.08 0.71 -1.11 0.00 0.00 175.55 174.53 1cur s TYR 135 N -2.50 0.68 -0.07 2.71 1.51 0.87 -0.37 117.35 120.18 1cur s TYR 135 Ca 0.56 -0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 56.35 1cur s TYR 135 Cb -0.07 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1cur s TYR 135 CO 0.34 -0.02 0.06 1.52 -1.11 0.00 0.00 175.55 176.34 1cur s TYR 136 N -0.54 3.30 0.06 2.71 -0.85 -0.03 -0.80 117.35 121.20 1cur s TYR 136 Ca -0.01 0.28 -0.10 0.00 -0.52 0.00 0.00 57.07 56.72 1cur s TYR 136 Cb -0.05 -1.81 0.01 0.00 0.38 0.00 0.00 41.96 40.49 1cur s TYR 136 CO 0.00 0.56 0.22 0.14 -1.52 0.00 0.00 175.55 174.95 1cur s VAL 137 N -1.01 0.11 -0.13 -3.49 -7.23 0.04 -2.67 120.40 106.02 1cur s VAL 137 Ca 0.17 -0.92 -0.15 0.00 -1.81 0.00 0.00 61.98 59.27 1cur s VAL 137 Cb -0.12 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 1cur s VAL 137 CO 0.06 -0.51 0.35 0.00 -0.31 0.00 0.00 175.10 174.69 1cur n GLN 139 N 3.34 1.02 -2.12 0.00 3.00 -1.24 -3.75 117.38 117.64 1cur n GLN 139 Ca -0.11 -0.23 -0.41 0.00 -0.01 0.00 0.00 57.00 56.24 1cur n GLN 139 Cb 0.52 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 29.24 1cur n GLN 139 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1cur s ILE 140 N -2.14 2.86 0.41 5.09 -1.09 -1.25 -4.70 121.20 120.38 1cur s ILE 140 Ca 0.41 0.76 -0.23 0.00 -2.23 0.00 0.00 60.65 59.36 1cur s ILE 140 Cb 0.21 -3.49 -0.12 0.00 -1.58 0.00 0.00 42.46 37.48 1cur s ILE 140 CO 0.39 0.14 0.67 -2.65 -1.23 0.00 0.00 174.94 172.26 1cur n PRO 141 N 1.94 0.74 0.00 2.79 -0.02 -1.26 -2.78 135.00 136.42 1cur n PRO 141 Ca 0.04 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1cur n PRO 141 Cb 0.42 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1cur n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 142 N 1.64 1.07 0.29 -1.23 0.00 0.52 -4.77 105.19 102.71 1cur n GLY 142 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1cur n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1cur h HIS 143 N 0.00 -0.67 0.03 1.61 3.86 -1.81 0.28 115.15 118.44 1cur h HIS 143 Ca 0.00 0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1cur h HIS 143 Cb 0.00 0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 1cur h HIS 143 CO 0.00 -0.33 -0.14 0.00 0.86 0.00 0.00 177.93 178.32 1cur h ALA 144 N 1.07 -0.18 -0.90 2.45 0.00 -1.72 -1.24 119.26 118.73 1cur h ALA 144 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1cur h ALA 144 Cb 0.49 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1cur h ALA 144 CO -0.56 -0.64 0.52 0.00 0.00 0.00 0.00 179.25 178.57 1cur h ALA 145 N 0.68 1.21 0.13 0.00 0.00 -1.43 -3.11 119.26 116.73 1cur h ALA 145 Ca 0.04 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 1cur h ALA 145 Cb 0.29 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1cur h ALA 145 CO -0.12 0.66 -1.23 1.79 0.00 0.00 0.00 179.25 180.35 1cur h THR 146 N 1.26 1.42 0.00 0.00 1.35 -0.39 -3.44 112.91 113.12 1cur h THR 146 Ca 0.32 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 1cur h THR 146 Cb -0.01 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1cur h THR 146 CO -0.06 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 1cur n GLY 147 N 1.44 0.05 3.55 5.82 0.00 -0.58 -5.00 105.19 110.46 1cur n GLY 147 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1cur n GLY 147 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1cur s MET 148 N 0.00 3.48 0.20 1.61 0.23 -0.58 -4.86 119.30 119.38 1cur s MET 148 Ca 0.00 -0.92 -0.08 0.00 -1.03 0.00 0.00 55.69 53.66 1cur s MET 148 Cb 0.00 -5.01 0.03 0.00 -1.53 0.00 0.00 34.83 28.32 1cur s MET 148 CO 0.00 -2.16 0.42 1.97 -2.03 0.00 0.00 175.02 173.22 1cur n PHE 149 N 8.86 -1.65 0.00 3.16 -1.74 -1.26 -3.67 117.46 121.16 1cur n PHE 149 Ca 0.24 -0.94 0.00 0.00 -0.56 0.00 0.00 57.45 56.19 1cur n PHE 149 Cb 0.50 0.47 0.00 0.00 1.52 0.00 0.00 39.48 41.97 1cur n PHE 149 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1cur n GLY 150 N -0.28 0.52 3.71 4.97 0.00 -1.09 -4.58 105.19 108.44 1cur n GLY 150 Ca -0.04 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 1cur n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 151 N -2.00 2.80 -0.35 1.61 1.02 -1.25 -0.85 119.74 120.72 1cur s LYS 151 Ca 0.00 -0.64 0.04 0.00 0.02 0.00 0.00 55.97 55.38 1cur s LYS 151 Cb 0.00 -2.69 0.10 0.00 -0.52 0.00 0.00 37.83 34.73 1cur s LYS 151 CO 0.00 0.60 0.07 0.42 -0.92 0.00 0.00 175.35 175.53 1cur s ILE 152 N -1.19 2.16 -0.62 2.17 1.01 0.49 -0.51 121.20 124.72 1cur s ILE 152 Ca 0.23 -2.34 -0.21 0.00 0.00 0.00 0.00 60.65 58.33 1cur s ILE 152 Cb -0.12 -2.60 0.08 0.00 0.01 0.00 0.00 42.46 39.84 1cur s ILE 152 CO 0.14 -0.63 0.85 -0.69 0.00 0.00 0.00 174.94 174.61 1cur s VAL 153 N 0.87 4.54 -0.14 2.92 1.01 0.20 -0.66 120.40 129.14 1cur s VAL 153 Ca 0.11 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1cur s VAL 153 Cb -0.19 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 1cur s VAL 153 CO -0.09 -1.28 0.59 -0.69 0.00 0.00 0.00 175.10 173.63 1cur s VAL 154 N 3.46 5.09 0.00 2.92 1.01 0.22 -0.62 120.40 132.49 1cur s VAL 154 Ca 0.18 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1cur s VAL 154 Cb -0.19 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1cur s VAL 154 CO 0.09 0.23 0.01 0.29 0.00 0.00 0.00 175.10 175.72