#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t s GLN 2 N 0.00 0.21 -0.08 -2.82 -0.21 -1.26 -5.02 119.66 110.48 1o8t s GLN 2 Ca 0.00 -0.02 -0.25 0.00 0.02 0.00 0.00 55.36 55.10 1o8t s GLN 2 Cb 0.00 -0.27 -0.21 0.00 1.00 0.00 0.00 33.01 33.53 1o8t s GLN 2 CO 0.00 -0.02 0.94 0.37 -2.12 0.00 0.00 175.29 174.46 1o8t h GLN 3 N 6.50 -0.04 0.20 2.91 5.75 -1.96 -2.36 115.11 126.10 1o8t h GLN 3 Ca -0.32 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 57.91 1o8t h GLN 3 Cb 1.18 0.01 0.03 0.00 1.07 0.00 0.00 27.48 29.76 1o8t h GLN 3 CO 0.50 0.63 -1.22 -1.35 -2.65 0.00 0.00 178.83 174.74 1o8t h PRO 4 N -0.79 0.42 0.32 -2.39 0.11 -1.98 -3.07 132.00 124.61 1o8t h PRO 4 Ca -0.00 -0.71 -0.02 0.00 0.11 0.00 0.00 66.00 65.38 1o8t h PRO 4 Cb 0.69 0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1o8t h PRO 4 CO 0.01 1.34 -0.15 1.96 -0.21 0.00 0.00 178.00 180.95 1o8t h GLN 5 N -0.10 -0.41 0.28 1.05 7.50 -1.99 -3.41 115.11 118.03 1o8t h GLN 5 Ca -0.22 0.03 -0.01 0.00 0.50 0.00 0.00 58.65 58.95 1o8t h GLN 5 Cb 1.92 0.09 0.00 0.00 0.05 0.00 0.00 27.48 29.55 1o8t h GLN 5 CO 0.21 -0.27 -0.14 1.96 -1.50 0.00 0.00 178.83 179.09 1o8t h GLN 6 N -0.94 -0.37 -6.25 1.46 4.20 -1.73 -3.43 115.11 108.06 1o8t h GLN 6 Ca -0.04 0.03 -0.55 0.00 0.06 0.00 0.00 58.65 58.14 1o8t h GLN 6 Cb 0.33 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1o8t h GLN 6 CO 0.07 -0.25 0.94 0.34 -0.67 0.00 0.00 178.83 179.27 1o8t s ASP 7 N -3.39 6.83 0.48 1.46 2.15 -0.91 -4.99 116.67 118.30 1o8t s ASP 7 Ca -0.06 1.99 -0.22 0.00 0.43 0.00 0.00 52.55 54.70 1o8t s ASP 7 Cb 0.01 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 40.01 1o8t s ASP 7 CO 0.17 -0.80 1.14 -1.61 -0.17 0.00 0.00 175.17 173.90 1o8t s GLU 8 N 3.34 3.65 -0.09 4.34 8.01 -1.26 -4.22 118.70 132.47 1o8t s GLU 8 Ca 0.64 1.69 -0.30 0.00 0.01 0.00 0.00 54.97 57.01 1o8t s GLU 8 Cb -0.28 -2.27 -0.04 0.00 -4.31 0.00 0.00 34.13 27.22 1o8t s GLU 8 CO 0.23 -0.62 1.56 -1.64 0.01 0.00 0.00 175.26 174.80 1o8t s MET 9 N -2.90 4.17 0.72 1.61 -1.94 -1.26 -5.01 119.30 114.68 1o8t s MET 9 Ca 0.66 2.03 -0.12 0.00 -1.71 0.00 0.00 55.69 56.55 1o8t s MET 9 Cb -0.26 -3.94 0.17 0.00 2.01 0.00 0.00 34.83 32.81 1o8t s MET 9 CO 0.31 -0.85 0.85 -0.35 -0.01 0.00 0.00 175.02 174.97 1o8t n PRO 10 N 7.05 -1.43 -1.80 2.03 -0.04 -1.26 -5.04 135.00 134.50 1o8t n PRO 10 Ca 0.17 -1.33 -0.32 0.00 -0.04 0.00 0.00 63.50 61.98 1o8t n PRO 10 Cb 0.43 -0.99 0.04 0.00 -0.04 0.00 0.00 33.50 32.94 1o8t n PRO 10 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1o8t s SER 11 N -4.03 5.41 -0.51 3.54 1.04 -1.26 -4.92 113.70 112.96 1o8t s SER 11 Ca 0.50 1.82 -0.26 0.00 0.48 0.00 0.00 55.95 58.49 1o8t s SER 11 Cb -0.03 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 1o8t s SER 11 CO 0.36 -1.42 2.20 -2.16 0.98 0.00 0.00 173.24 173.20 1o8t s PRO 12 N -4.37 2.35 1.02 4.02 0.04 -1.26 -4.97 135.00 131.83 1o8t s PRO 12 Ca 0.63 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 1o8t s PRO 12 Cb -0.17 -4.50 0.25 0.00 0.04 0.00 0.00 34.50 30.12 1o8t s PRO 12 CO 0.44 -3.01 0.99 0.25 0.04 0.00 0.00 177.00 175.71 1o8t n THR 13 N 7.71 0.00 -0.36 1.26 -2.24 -1.26 -4.74 114.28 114.66 1o8t n THR 13 Ca 0.31 -0.51 0.06 0.00 -2.27 0.00 0.00 64.05 61.64 1o8t n THR 13 Cb 0.53 -1.28 0.22 0.00 -2.10 0.00 0.00 70.33 67.70 1o8t n THR 13 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1o8t h PHE 14 N -2.38 1.12 -0.54 4.78 -0.00 -2.00 -1.57 116.94 116.34 1o8t h PHE 14 Ca -0.36 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.62 1o8t h PHE 14 Cb 1.07 -0.36 -0.02 0.00 -0.00 0.00 0.00 35.95 36.64 1o8t h PHE 14 CO 0.00 0.47 0.25 1.25 -0.00 0.00 0.00 178.31 180.28 1o8t h LEU 15 N 1.00 0.72 -0.94 2.10 5.85 -2.00 -2.53 115.31 119.51 1o8t h LEU 15 Ca 0.47 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 59.11 1o8t h LEU 15 Cb 0.42 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1o8t h LEU 15 CO -0.25 0.65 0.60 0.74 -0.34 0.00 0.00 178.44 179.84 1o8t h THR 16 N 0.73 1.10 -0.21 1.05 2.02 -1.62 -2.57 112.91 113.41 1o8t h THR 16 Ca 0.18 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1o8t h THR 16 Cb 0.14 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1o8t h THR 16 CO -0.02 0.20 0.10 -0.61 0.37 0.00 0.00 175.52 175.57 1o8t h GLN 17 N 1.11 0.29 -0.48 6.66 -0.00 -1.10 -3.21 115.11 118.38 1o8t h GLN 17 Ca 0.40 -0.04 0.11 0.00 -0.00 0.00 0.00 58.65 59.11 1o8t h GLN 17 Cb 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 27.48 27.45 1o8t h GLN 17 CO -0.16 0.30 -0.08 0.28 0.00 0.00 0.00 178.83 179.17 1o8t n VAL 18 N -4.87 -0.20 -0.15 2.39 0.31 -0.97 0.55 118.33 115.40 1o8t n VAL 18 Ca -0.04 1.10 -0.03 0.00 -0.01 0.00 0.00 64.34 65.36 1o8t n VAL 18 Cb 0.09 -1.54 0.04 0.00 -0.91 0.00 0.00 33.84 31.52 1o8t n VAL 18 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1o8t h LYS 19 N 0.00 0.06 -0.03 5.55 1.63 -1.68 0.34 116.57 122.44 1o8t h LYS 19 Ca 0.25 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.00 1o8t h LYS 19 Cb 0.43 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1o8t h LYS 19 CO -0.49 0.04 -0.19 0.93 -3.45 0.00 0.00 179.45 176.29 1o8t h GLU 20 N 0.06 0.04 -0.71 1.90 3.07 -0.09 -2.34 114.58 116.51 1o8t h GLU 20 Ca 0.23 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 1o8t h GLU 20 Cb 0.35 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1o8t h GLU 20 CO -0.43 0.24 0.30 1.03 -1.40 0.00 0.00 179.01 178.74 1o8t h SER 21 N 0.04 0.95 -0.29 1.42 0.87 -0.67 -2.10 113.55 113.77 1o8t h SER 21 Ca 0.01 -0.13 -0.18 0.00 -1.23 0.00 0.00 61.79 60.26 1o8t h SER 21 Cb 0.36 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1o8t h SER 21 CO 0.03 0.84 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.59 1o8t h LEU 22 N 1.03 0.96 0.39 2.23 4.07 -0.87 -2.38 115.31 120.74 1o8t h LEU 22 Ca 0.24 -0.50 -0.01 0.00 0.08 0.00 0.00 57.88 57.69 1o8t h LEU 22 Cb 0.17 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 1o8t h LEU 22 CO -0.02 1.29 -0.23 0.28 -1.08 0.00 0.00 178.44 178.68 1o8t h SER 23 N 0.68 -0.56 0.38 -0.43 0.02 -1.20 -0.96 113.55 111.49 1o8t h SER 23 Ca 0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1o8t h SER 23 Cb 1.11 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1o8t h SER 23 CO 0.11 -0.37 0.00 0.77 -1.14 0.00 0.00 176.83 176.21 1o8t h SER 24 N -0.58 0.00 0.07 3.07 4.64 -1.44 -2.61 113.55 116.69 1o8t h SER 24 Ca -0.04 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 1o8t h SER 24 Cb 0.47 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1o8t h SER 24 CO 0.05 0.00 -0.60 0.22 -0.87 0.00 0.00 176.83 175.64 1o8t h TYR 25 N 0.00 0.47 -0.32 4.77 3.20 -0.76 -3.31 116.97 121.02 1o8t h TYR 25 Ca 0.00 -0.31 -0.05 0.00 3.14 0.00 0.00 58.73 61.52 1o8t h TYR 25 Cb 0.19 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1o8t h TYR 25 CO 0.00 1.18 -0.00 2.35 -1.64 0.00 0.00 178.16 180.05 1o8t h TRP 26 N -0.37 0.51 -0.84 -3.82 -0.00 -0.85 -0.61 115.95 109.97 1o8t h TRP 26 Ca -0.09 -0.05 0.08 0.00 -0.00 0.00 0.00 58.89 58.83 1o8t h TRP 26 Cb 1.40 -0.15 -0.11 0.00 -0.00 0.00 0.00 29.16 30.31 1o8t h TRP 26 CO 0.19 0.51 -0.54 1.49 -0.00 0.00 0.00 178.44 180.08 1o8t h GLU 27 N 0.48 -0.06 -0.00 2.65 4.22 -1.57 0.27 114.58 120.56 1o8t h GLU 27 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1o8t h GLU 27 Cb 0.31 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1o8t h GLU 27 CO 0.01 -0.04 -0.44 0.43 -2.18 0.00 0.00 179.01 176.80 1o8t n SER 28 N -5.10 0.91 0.05 1.04 7.64 -1.20 -4.15 113.62 112.81 1o8t n SER 28 Ca 0.01 -0.71 0.04 0.00 1.01 0.00 0.00 58.87 59.22 1o8t n SER 28 Cb 0.25 0.29 0.45 0.00 -1.01 0.00 0.00 64.21 64.19 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o8t h ALA 29 N 3.38 1.71 -0.26 -0.43 0.00 0.71 -2.86 119.26 121.51 1o8t h ALA 29 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1o8t h ALA 29 Cb 0.53 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1o8t h ALA 29 CO 0.00 0.25 -0.13 -0.22 0.00 0.00 0.00 179.25 179.15 1o8t h LYS 30 N 0.44 -0.09 -1.02 0.00 3.64 -1.67 -0.05 116.57 117.81 1o8t h LYS 30 Ca 0.12 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.76 1o8t h LYS 30 Cb 0.01 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.74 1o8t h LYS 30 CO -0.02 -0.06 0.63 1.15 -2.27 0.00 0.00 179.45 178.88 1o8t h THR 31 N -0.10 0.52 -0.58 1.00 2.02 -1.79 0.40 112.91 114.38 1o8t h THR 31 Ca 0.14 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1o8t h THR 31 Cb 0.31 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1o8t h THR 31 CO -0.33 0.09 0.27 0.00 0.37 0.00 0.00 175.52 175.93 1o8t h ALA 32 N 1.69 0.75 -0.25 6.16 0.00 -1.09 -0.83 119.26 125.69 1o8t h ALA 32 Ca 0.63 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.46 1o8t h ALA 32 Cb 1.35 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1o8t h ALA 32 CO -0.41 0.32 -0.40 0.00 0.00 0.00 0.00 179.25 178.76 1o8t h ALA 33 N 1.11 -0.47 -0.55 0.00 0.00 0.34 0.57 119.26 120.26 1o8t h ALA 33 Ca 0.20 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1o8t h ALA 33 Cb 0.13 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1o8t h ALA 33 CO -0.02 -0.87 0.09 0.37 0.00 0.00 0.00 179.25 178.82 1o8t h GLN 34 N -0.40 0.88 0.00 0.00 -0.00 -1.43 -1.90 115.11 112.25 1o8t h GLN 34 Ca 0.11 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.65 58.54 1o8t h GLN 34 Cb 0.59 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.95 1o8t h GLN 34 CO -0.46 0.82 -0.07 -0.97 0.00 0.00 0.00 178.83 178.14 1o8t h ASN 35 N 0.83 0.00 -0.39 -0.69 -0.73 0.41 -1.55 115.58 113.47 1o8t h ASN 35 Ca 0.17 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.40 1o8t h ASN 35 Cb 0.36 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.91 1o8t h ASN 35 CO 0.01 0.07 0.11 0.25 -0.37 0.00 0.00 177.43 177.50 1o8t h LEU 36 N 0.00 0.09 -0.95 0.34 6.46 0.93 0.20 115.31 122.38 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1o8t h LEU 36 Cb 0.14 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1o8t h LEU 36 CO 0.01 0.09 0.23 1.88 -0.62 0.00 0.00 178.44 180.03 1o8t h TYR 37 N 0.26 1.02 0.56 1.25 -1.99 -1.34 -2.74 116.97 113.98 1o8t h TYR 37 Ca 0.18 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 1o8t h TYR 37 Cb 0.18 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 38.61 1o8t h TYR 37 CO -0.17 0.80 -0.37 0.93 -0.00 0.00 0.00 178.16 179.35 1o8t h GLU 38 N 0.97 -0.85 0.00 4.88 3.07 -0.34 -2.60 114.58 119.71 1o8t h GLU 38 Ca 0.22 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1o8t h GLU 38 Cb 0.24 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1o8t h GLU 38 CO -0.01 -0.57 0.00 0.36 -1.40 0.00 0.00 179.01 177.39 1o8t n LYS 39 N -4.70 0.02 0.19 2.33 -0.00 0.46 -2.79 118.16 113.67 1o8t n LYS 39 Ca -0.11 0.36 -0.14 0.00 -0.00 0.00 0.00 58.31 58.42 1o8t n LYS 39 Cb 0.37 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.82 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1o8t h THR 40 N 0.00 0.61 -0.60 0.58 2.02 -1.14 -3.23 112.91 111.15 1o8t h THR 40 Ca 0.00 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 1o8t h THR 40 Cb 0.04 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1o8t h THR 40 CO 0.00 0.09 0.01 1.88 0.37 0.00 0.00 175.52 177.87 1o8t h TYR 41 N -0.79 1.11 -3.88 3.16 -1.99 -1.61 -3.44 116.97 109.53 1o8t h TYR 41 Ca -0.05 -0.18 -0.52 0.00 2.00 0.00 0.00 58.73 59.98 1o8t h TYR 41 Cb 0.52 -0.30 0.05 0.00 2.00 0.00 0.00 36.73 39.01 1o8t h TYR 41 CO 0.01 0.98 0.57 -0.51 -0.00 0.00 0.00 178.16 179.21 1o8t s LEU 42 N -9.32 4.39 -0.20 3.88 2.01 -1.21 -4.94 118.68 113.29 1o8t s LEU 42 Ca -0.11 2.52 0.04 0.00 0.01 0.00 0.00 54.13 56.59 1o8t s LEU 42 Cb 0.14 -3.75 0.40 0.00 0.01 0.00 0.00 46.19 42.99 1o8t s LEU 42 CO 0.85 -0.50 1.36 -0.81 1.01 0.00 0.00 176.35 178.26 1o8t n PRO 43 N 0.67 2.29 0.20 1.29 -0.04 -1.26 -4.41 135.00 133.74 1o8t n PRO 43 Ca 0.01 -1.67 0.14 0.00 -0.04 0.00 0.00 63.50 61.95 1o8t n PRO 43 Cb 0.44 -1.76 0.67 0.00 -0.04 0.00 0.00 33.50 32.81 1o8t n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o8t h ALA 44 N 2.15 1.00 -0.88 0.55 0.00 -1.92 -3.19 119.26 116.97 1o8t h ALA 44 Ca 0.20 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.33 1o8t h ALA 44 Cb 1.72 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.38 1o8t h ALA 44 CO 0.46 0.00 0.36 -0.39 0.00 0.00 0.00 179.25 179.68 1o8t h VAL 45 N 0.00 0.44 0.01 0.00 -1.51 -1.88 0.34 116.25 113.64 1o8t h VAL 45 Ca 0.00 -0.12 -0.24 0.00 -1.23 0.00 0.00 66.70 65.11 1o8t h VAL 45 Cb 0.23 0.06 0.01 0.00 -2.13 0.00 0.00 31.29 29.46 1o8t h VAL 45 CO 0.00 0.06 -0.98 0.44 -1.23 0.00 0.00 177.57 175.87 1o8t h ASP 46 N 0.35 0.61 0.53 4.19 3.32 -1.95 -3.08 116.42 120.41 1o8t h ASP 46 Ca 0.55 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1o8t h ASP 46 Cb 1.06 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.43 1o8t h ASP 46 CO -0.55 1.30 -0.26 -0.08 -1.72 0.00 0.00 179.24 177.93 1o8t h GLU 47 N 0.26 -0.69 -0.54 3.56 4.22 -1.16 -3.11 114.58 117.12 1o8t h GLU 47 Ca -0.09 0.05 0.16 0.00 0.08 0.00 0.00 59.36 59.55 1o8t h GLU 47 Cb 1.62 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 1o8t h GLU 47 CO 0.17 -0.40 0.48 -0.22 -2.18 0.00 0.00 179.01 176.86 1o8t h LYS 48 N -1.09 0.00 0.44 1.92 3.11 -0.57 0.39 116.57 120.76 1o8t h LYS 48 Ca -0.07 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 1o8t h LYS 48 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 1o8t h LYS 48 CO 0.12 0.00 -0.21 1.25 -2.81 0.00 0.00 179.45 177.80 1o8t h LEU 49 N 0.00 -0.50 -1.64 5.20 6.46 -1.47 -1.27 115.31 122.08 1o8t h LEU 49 Ca 0.26 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1o8t h LEU 49 Cb 1.21 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1o8t h LEU 49 CO -0.00 -0.32 -0.12 0.03 -0.62 0.00 0.00 178.44 177.41 1o8t h ARG 50 N -0.68 0.08 0.51 1.25 2.47 -1.37 -1.82 114.38 114.81 1o8t h ARG 50 Ca -0.06 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1o8t h ARG 50 Cb 0.46 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 1o8t h ARG 50 CO 0.10 0.20 -0.45 0.22 0.56 0.00 0.00 179.97 180.61 1o8t h ASP 51 N 0.07 -1.20 0.70 7.04 1.82 -0.15 0.20 116.42 124.90 1o8t h ASP 51 Ca 0.02 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 1o8t h ASP 51 Cb 0.26 0.39 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 1o8t h ASP 51 CO 0.02 -0.62 -0.16 -0.07 -1.61 0.00 0.00 179.24 176.80 1o8t h LEU 52 N -0.95 0.00 -0.04 2.28 4.07 -1.10 -2.82 115.31 116.75 1o8t h LEU 52 Ca -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1o8t h LEU 52 Cb 0.82 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.56 1o8t h LEU 52 CO -0.03 0.16 -0.01 0.22 -1.08 0.00 0.00 178.44 177.70 1o8t h TYR 53 N 0.00 0.08 -0.49 1.13 5.03 -0.71 0.18 116.97 122.19 1o8t h TYR 53 Ca -0.00 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 1o8t h TYR 53 Cb 0.55 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 1o8t h TYR 53 CO 0.00 0.42 0.29 0.77 -1.32 0.00 0.00 178.16 178.32 1o8t h SER 54 N -0.29 0.60 -0.24 -2.11 0.02 -0.87 -2.13 113.55 108.53 1o8t h SER 54 Ca 0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1o8t h SER 54 Cb 0.40 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1o8t h SER 54 CO 0.00 0.48 0.13 0.50 -1.14 0.00 0.00 176.83 176.81 1o8t h LYS 55 N 0.66 0.34 0.00 3.45 3.64 -1.49 -2.37 116.57 120.80 1o8t h LYS 55 Ca 0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1o8t h LYS 55 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1o8t h LYS 55 CO -0.03 0.32 0.00 0.77 -2.27 0.00 0.00 179.45 178.23 1o8t h SER 56 N 0.28 0.00 0.09 4.20 0.02 -0.71 -2.10 113.55 115.34 1o8t h SER 56 Ca 0.09 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1o8t h SER 56 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1o8t h SER 56 CO -0.01 0.00 -0.12 0.74 -1.14 0.00 0.00 176.83 176.30 1o8t h THR 57 N 0.00 0.73 0.10 -2.27 2.02 -0.83 -0.06 112.91 112.60 1o8t h THR 57 Ca 0.00 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.88 1o8t h THR 57 Cb 0.12 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1o8t h THR 57 CO 0.00 0.00 -1.58 0.00 0.37 0.00 0.00 175.52 174.31 1o8t h ALA 58 N 0.63 0.28 0.67 6.16 0.00 -1.68 -3.26 119.26 122.07 1o8t h ALA 58 Ca 0.01 -1.21 -0.03 0.00 0.00 0.00 0.00 54.91 53.68 1o8t h ALA 58 Cb 0.25 0.60 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1o8t h ALA 58 CO -0.05 0.97 -0.32 0.00 0.00 0.00 0.00 179.25 179.84 1o8t h ALA 59 N -0.09 -1.12 0.00 0.00 0.00 -1.45 -3.03 119.26 113.57 1o8t h ALA 59 Ca -0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1o8t h ALA 59 Cb 1.77 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1o8t h ALA 59 CO 0.02 -1.05 0.00 1.98 0.00 0.00 0.00 179.25 180.20 1o8t h MET 60 N -1.00 0.00 0.00 0.00 4.05 -1.20 -2.19 114.93 114.58 1o8t h MET 60 Ca -0.09 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1o8t h MET 60 Cb 0.69 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 1o8t h MET 60 CO 0.15 0.00 0.00 0.77 0.23 0.00 0.00 176.91 178.06 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.02 -1.51 -0.02 113.55 113.44 1o8t h SER 61 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 1o8t h SER 61 Cb 0.08 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1o8t h SER 61 CO 0.00 0.00 -2.25 0.35 -1.14 0.00 0.00 176.83 173.79 1o8t n THR 62 N -2.66 1.53 0.30 -2.27 -2.24 -0.83 -4.24 114.28 103.88 1o8t n THR 62 Ca 0.00 -0.29 0.18 0.00 -2.27 0.00 0.00 64.05 61.67 1o8t n THR 62 Cb 0.20 -1.95 0.87 0.00 -2.10 0.00 0.00 70.33 67.36 1o8t n THR 62 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o8t h TYR 63 N -1.00 0.00 0.36 4.78 3.20 -1.57 -0.63 116.97 122.11 1o8t h TYR 63 Ca -0.60 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.25 1o8t h TYR 63 Cb 1.52 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.79 1o8t h TYR 63 CO -0.10 0.00 -0.17 1.15 -1.64 0.00 0.00 178.16 177.40 1o8t h THR 64 N 0.00 0.45 -0.62 1.81 2.02 -1.19 0.68 112.91 116.07 1o8t h THR 64 Ca 0.00 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 1o8t h THR 64 Cb 0.25 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1o8t h THR 64 CO 0.00 0.09 0.11 1.23 0.37 0.00 0.00 175.52 177.33 1o8t h GLY 65 N -0.96 1.07 0.79 2.16 0.00 -1.70 -1.02 103.07 103.41 1o8t h GLY 65 Ca -0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1o8t h GLY 65 CO 0.08 0.63 -0.38 -2.22 0.00 0.00 0.00 176.54 174.65 1o8t h ILE 66 N 0.94 0.00 -0.17 2.60 2.04 -1.13 0.11 117.51 121.90 1o8t h ILE 66 Ca 0.19 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1o8t h ILE 66 Cb 0.39 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.40 1o8t h ILE 66 CO 0.01 0.00 -0.36 0.15 0.00 0.00 0.00 178.15 177.95 1o8t h PHE 67 N -1.24 -1.00 0.00 1.37 3.57 0.40 0.47 116.94 120.51 1o8t h PHE 67 Ca -0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.81 0.47 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1o8t h PHE 67 CO 0.01 -0.43 0.00 1.15 -2.23 0.00 0.00 178.31 176.81 1o8t h THR 68 N -0.41 0.00 0.34 4.41 2.02 -1.24 -3.04 112.91 114.98 1o8t h THR 68 Ca 0.10 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1o8t h THR 68 Cb 0.58 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1o8t h THR 68 CO -0.39 0.00 -0.29 -0.78 0.37 0.00 0.00 175.52 174.42 1o8t h ASP 69 N 0.00 -0.78 0.68 4.18 1.82 0.16 0.27 116.42 122.75 1o8t h ASP 69 Ca 0.00 0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.64 1o8t h ASP 69 Cb 0.23 0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1o8t h ASP 69 CO 0.00 -0.43 -0.31 1.56 -1.61 0.00 0.00 179.24 178.45 1o8t h GLN 70 N -0.65 0.00 0.28 0.28 4.20 -1.49 -1.74 115.11 115.99 1o8t h GLN 70 Ca -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1o8t h GLN 70 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1o8t h GLN 70 CO -0.03 0.31 -0.13 0.28 -0.67 0.00 0.00 178.83 178.59 1o8t h VAL 71 N 0.00 0.72 -0.72 -0.54 2.07 -1.34 -2.44 116.25 114.01 1o8t h VAL 71 Ca -0.00 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1o8t h VAL 71 Cb 0.74 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1o8t h VAL 71 CO 0.04 0.13 0.47 0.25 0.02 0.00 0.00 177.57 178.48 1o8t h LEU 72 N -0.77 0.61 -1.20 2.57 5.85 -0.43 -0.03 115.31 121.91 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1o8t h LEU 72 Cb 0.50 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1o8t h LEU 72 CO 0.06 0.38 0.56 0.77 -0.34 0.00 0.00 178.44 179.87 1o8t h SER 73 N 0.69 0.86 1.02 1.25 4.64 -1.13 0.14 113.55 121.02 1o8t h SER 73 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1o8t h SER 73 Cb 0.35 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1o8t h SER 73 CO -0.11 0.57 0.00 0.58 -0.87 0.00 0.00 176.83 177.00 1o8t h VAL 74 N 0.99 0.00 -0.62 0.95 2.07 -0.51 -2.93 116.25 116.19 1o8t h VAL 74 Ca 0.36 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1o8t h VAL 74 Cb 0.15 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1o8t h VAL 74 CO -0.12 0.00 0.13 0.25 0.02 0.00 0.00 177.57 177.84 1o8t h LEU 75 N 0.00 0.94 -0.36 2.57 6.46 -0.48 0.21 115.31 124.65 1o8t h LEU 75 Ca 0.00 -0.20 -0.18 0.00 -0.12 0.00 0.00 57.88 57.38 1o8t h LEU 75 Cb 0.51 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1o8t h LEU 75 CO 0.00 0.93 -0.54 0.50 -0.62 0.00 0.00 178.44 178.71 1o8t h LYS 76 N 0.94 0.80 0.00 1.25 3.64 -1.51 -2.81 116.57 118.89 1o8t h LYS 76 Ca 0.20 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1o8t h LYS 76 Cb 0.37 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1o8t h LYS 76 CO 0.01 1.13 0.00 0.41 -2.27 0.00 0.00 179.45 178.73 1o8t n GLY 77 N 0.32 -1.35 2.33 5.01 0.00 -1.07 -4.74 105.19 105.69 1o8t n GLY 77 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1o8t n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1o8t n GLU 78 N -1.49 1.09 -0.87 1.61 0.00 -0.60 -5.12 120.64 115.27 1o8t n GLU 78 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 57.16 54.44 1o8t n GLU 78 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 31.44 30.61 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22