#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 2.65 0.03 -0.78 1.11 -1.26 -4.91 119.66 116.50 1o8t s GLN 2 Ca 0.00 -1.42 -0.31 0.00 0.01 0.00 0.00 55.36 53.64 1o8t s GLN 2 Cb 0.00 -2.52 -0.17 0.00 -1.01 0.00 0.00 33.01 29.31 1o8t s GLN 2 CO 0.00 -0.22 1.28 1.96 0.01 0.00 0.00 175.29 178.32 1o8t h GLN 3 N 0.89 -1.06 0.00 2.91 7.50 -1.98 0.72 115.11 124.08 1o8t h GLN 3 Ca -0.41 0.07 -0.07 0.00 0.50 0.00 0.00 58.65 58.74 1o8t h GLN 3 Cb 1.27 0.24 -0.01 0.00 0.05 0.00 0.00 27.48 29.03 1o8t h GLN 3 CO 0.53 -0.71 -0.36 -1.00 -1.50 0.00 0.00 178.83 175.79 1o8t h PRO 4 N -1.28 0.00 0.26 1.46 0.13 -1.98 -3.30 132.00 127.30 1o8t h PRO 4 Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1o8t h PRO 4 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1o8t h PRO 4 CO 0.18 0.36 -0.13 0.37 -0.23 0.00 0.00 178.00 178.56 1o8t h GLN 5 N 0.00 -0.34 -7.31 0.86 -0.00 -1.96 -3.47 115.11 102.89 1o8t h GLN 5 Ca -0.00 0.02 -0.42 0.00 -0.00 0.00 0.00 58.65 58.25 1o8t h GLN 5 Cb 0.63 0.08 0.19 0.00 0.00 0.00 0.00 27.48 28.38 1o8t h GLN 5 CO 0.05 -0.22 0.09 -1.14 0.00 0.00 0.00 178.83 177.61 1o8t s GLN 6 N -2.75 -1.19 -0.24 1.69 0.74 0.24 -4.92 119.66 113.23 1o8t s GLN 6 Ca -0.05 0.13 -0.29 0.00 0.05 0.00 0.00 55.36 55.20 1o8t s GLN 6 Cb 0.01 -1.58 -0.02 0.00 1.10 0.00 0.00 33.01 32.51 1o8t s GLN 6 CO 0.15 -3.73 1.54 0.34 -0.55 0.00 0.00 175.29 173.05 1o8t s ASP 7 N -3.59 6.44 -0.69 6.67 2.15 -1.26 -4.84 116.67 121.55 1o8t s ASP 7 Ca 0.69 1.52 -0.26 0.00 0.43 0.00 0.00 52.55 54.93 1o8t s ASP 7 Cb -0.13 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.93 1o8t s ASP 7 CO 0.57 -1.22 1.86 -1.61 -0.17 0.00 0.00 175.17 174.60 1o8t s GLU 8 N 4.57 2.64 -0.10 4.34 8.01 -1.26 -4.94 118.70 131.95 1o8t s GLU 8 Ca 0.68 0.35 -0.29 0.00 0.01 0.00 0.00 54.97 55.72 1o8t s GLU 8 Cb -0.23 -4.55 -0.04 0.00 -4.31 0.00 0.00 34.13 25.00 1o8t s GLU 8 CO 0.28 -2.86 1.57 1.41 0.01 0.00 0.00 175.26 175.67 1o8t s MET 9 N 6.97 4.14 -0.10 1.61 1.75 -1.26 -4.94 119.30 127.47 1o8t s MET 9 Ca 0.66 2.01 -0.29 0.00 -1.25 0.00 0.00 55.69 56.82 1o8t s MET 9 Cb -0.11 -3.95 -0.06 0.00 2.84 0.00 0.00 34.83 33.55 1o8t s MET 9 CO 0.15 -0.88 2.02 -2.14 -0.65 0.00 0.00 175.02 173.52 1o8t s PRO 10 N 4.02 3.68 -0.24 4.11 0.02 -1.26 -4.95 135.00 140.38 1o8t s PRO 10 Ca 0.69 2.24 -0.27 0.00 0.02 0.00 0.00 61.00 63.68 1o8t s PRO 10 Cb -0.30 -4.23 0.12 0.00 0.02 0.00 0.00 34.50 30.11 1o8t s PRO 10 CO 0.26 -1.47 0.98 -1.54 -0.33 0.00 0.00 177.00 174.90 1o8t s SER 11 N 5.95 -0.47 0.26 2.53 1.04 -1.26 -5.16 113.70 116.59 1o8t s SER 11 Ca 0.91 0.80 -0.30 0.00 0.48 0.00 0.00 55.95 57.84 1o8t s SER 11 Cb -0.36 0.78 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 1o8t s SER 11 CO 0.37 -0.23 1.26 -2.16 0.98 0.00 0.00 173.24 173.46 1o8t s PRO 12 N -0.15 4.44 0.00 4.02 0.04 -1.26 -5.02 135.00 137.07 1o8t s PRO 12 Ca 0.01 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1o8t s PRO 12 Cb -0.04 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1o8t s PRO 12 CO -0.03 -0.13 0.06 0.25 0.04 0.00 0.00 177.00 177.19 1o8t n THR 13 N 1.75 0.00 0.00 1.26 -2.24 -1.26 -4.80 114.28 108.99 1o8t n THR 13 Ca 0.03 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1o8t n THR 13 Cb 0.43 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1o8t n THR 13 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1o8t n PHE 14 N -0.15 0.00 -0.18 4.78 3.01 -1.26 -3.09 117.46 120.57 1o8t n PHE 14 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 1o8t n PHE 14 Cb 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1o8t h LEU 15 N 0.00 0.69 -1.26 4.37 5.85 -2.02 -2.66 115.31 120.28 1o8t h LEU 15 Ca 0.00 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1o8t h LEU 15 Cb 0.00 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1o8t h LEU 15 CO 0.00 0.63 0.53 0.71 -0.34 0.00 0.00 178.44 179.97 1o8t h THR 16 N 0.71 1.05 0.22 1.05 1.35 -1.89 -2.57 112.91 112.83 1o8t h THR 16 Ca 0.18 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.72 1o8t h THR 16 Cb 0.12 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.62 1o8t h THR 16 CO -0.02 0.16 -0.10 1.56 -0.25 0.00 0.00 175.52 176.87 1o8t h GLN 17 N 0.89 -0.28 -0.52 4.72 1.08 -1.73 -3.19 115.11 116.09 1o8t h GLN 17 Ca 0.35 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.67 1o8t h GLN 17 Cb 0.21 0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.61 1o8t h GLN 17 CO -0.12 -0.10 -0.13 0.28 -0.95 0.00 0.00 178.83 177.80 1o8t n VAL 18 N -5.17 -0.22 -0.07 -0.54 0.31 -0.97 0.39 118.33 112.06 1o8t n VAL 18 Ca -0.09 1.19 -0.07 0.00 -0.01 0.00 0.00 64.34 65.35 1o8t n VAL 18 Cb 0.17 -1.64 -0.01 0.00 -0.91 0.00 0.00 33.84 31.46 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1o8t h LYS 19 N 0.00 -0.16 -0.04 5.55 6.56 -1.64 -0.11 116.57 126.72 1o8t h LYS 19 Ca 0.24 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.80 1o8t h LYS 19 Cb 0.37 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 1o8t h LYS 19 CO -0.53 -0.11 -0.18 0.93 -2.06 0.00 0.00 179.45 177.50 1o8t h GLU 20 N -0.17 0.07 -0.74 3.15 3.07 -0.22 -2.39 114.58 117.35 1o8t h GLU 20 Ca 0.16 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1o8t h GLU 20 Cb 0.41 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1o8t h GLU 20 CO -0.39 0.25 0.31 1.03 -1.40 0.00 0.00 179.01 178.80 1o8t h SER 21 N 0.07 0.99 -0.24 1.42 0.87 -0.37 -2.33 113.55 113.96 1o8t h SER 21 Ca 0.01 -0.14 -0.17 0.00 -1.23 0.00 0.00 61.79 60.26 1o8t h SER 21 Cb 0.36 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1o8t h SER 21 CO 0.02 0.87 -0.51 0.25 -0.53 0.00 0.00 176.83 176.94 1o8t h LEU 22 N 1.06 0.91 0.44 2.23 5.85 -0.80 -2.44 115.31 122.55 1o8t h LEU 22 Ca 0.25 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1o8t h LEU 22 Cb 0.18 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1o8t h LEU 22 CO -0.02 1.25 -0.25 -1.28 -0.34 0.00 0.00 178.44 177.80 1o8t h SER 23 N 0.64 -0.62 0.36 1.25 0.87 -1.23 -0.94 113.55 113.89 1o8t h SER 23 Ca 0.02 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1o8t h SER 23 Cb 1.10 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1o8t h SER 23 CO 0.11 -0.40 0.00 0.28 -0.53 0.00 0.00 176.83 176.29 1o8t h SER 24 N -0.65 0.00 0.13 6.23 0.02 -1.48 -2.46 113.55 115.34 1o8t h SER 24 Ca -0.05 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.66 1o8t h SER 24 Cb 0.52 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.09 1o8t h SER 24 CO 0.06 0.00 -1.02 0.22 -1.14 0.00 0.00 176.83 174.96 1o8t h TYR 25 N 0.00 0.78 -0.61 3.45 5.03 -0.80 -3.31 116.97 121.51 1o8t h TYR 25 Ca 0.00 -0.52 -0.05 0.00 2.58 0.00 0.00 58.73 60.74 1o8t h TYR 25 Cb 0.18 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.38 1o8t h TYR 25 CO 0.00 1.38 0.16 2.35 -1.32 0.00 0.00 178.16 180.73 1o8t h TRP 26 N -0.03 0.96 -0.91 -3.82 -0.00 -0.73 0.40 115.95 111.82 1o8t h TRP 26 Ca -0.16 -0.09 0.09 0.00 -0.00 0.00 0.00 58.89 58.72 1o8t h TRP 26 Cb 1.75 -0.28 -0.12 0.00 -0.00 0.00 0.00 29.16 30.52 1o8t h TRP 26 CO 0.15 0.79 -0.58 0.93 -0.00 0.00 0.00 178.44 179.73 1o8t h GLU 27 N 0.90 -0.06 0.00 2.65 3.07 -1.60 0.63 114.58 120.17 1o8t h GLU 27 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1o8t h GLU 27 Cb 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1o8t h GLU 27 CO -0.00 -0.04 -0.53 0.43 -1.40 0.00 0.00 179.01 177.46 1o8t n SER 28 N -5.27 0.52 -0.07 1.42 7.64 -1.20 -4.08 113.62 112.58 1o8t n SER 28 Ca 0.01 -0.21 0.02 0.00 1.01 0.00 0.00 58.87 59.71 1o8t n SER 28 Cb 0.27 0.26 0.34 0.00 -1.01 0.00 0.00 64.21 64.08 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 2.93 1.57 -0.35 -0.43 0.00 0.14 -2.81 119.26 120.31 1o8t h ALA 29 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1o8t h ALA 29 Cb 0.54 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1o8t h ALA 29 CO 0.00 0.37 -0.08 0.87 0.00 0.00 0.00 179.25 180.41 1o8t h LYS 30 N 0.70 0.01 -1.02 0.00 1.57 -1.62 0.20 116.57 116.41 1o8t h LYS 30 Ca 0.18 -0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.22 1o8t h LYS 30 Cb -0.01 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.18 1o8t h LYS 30 CO -0.03 0.00 0.62 1.15 -0.57 0.00 0.00 179.45 180.62 1o8t h THR 31 N 0.01 0.52 -0.54 -0.16 2.02 -1.77 0.43 112.91 113.41 1o8t h THR 31 Ca 0.17 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1o8t h THR 31 Cb 0.25 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1o8t h THR 31 CO -0.35 0.10 0.26 0.00 0.37 0.00 0.00 175.52 175.89 1o8t h ALA 32 N 1.71 0.70 -0.30 6.16 0.00 -1.03 -0.63 119.26 125.87 1o8t h ALA 32 Ca 0.64 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.48 1o8t h ALA 32 Cb 1.32 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1o8t h ALA 32 CO -0.44 0.27 -0.35 0.00 0.00 0.00 0.00 179.25 178.73 1o8t h ALA 33 N 1.09 -0.32 -0.53 0.00 0.00 0.38 0.55 119.26 120.44 1o8t h ALA 33 Ca 0.19 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1o8t h ALA 33 Cb 0.13 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1o8t h ALA 33 CO -0.02 -0.79 0.07 0.37 0.00 0.00 0.00 179.25 178.88 1o8t h GLN 34 N -0.33 0.84 0.00 0.00 4.15 -1.39 -1.82 115.11 116.56 1o8t h GLN 34 Ca 0.14 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1o8t h GLN 34 Cb 0.56 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1o8t h GLN 34 CO -0.48 0.80 -0.07 -0.97 -1.93 0.00 0.00 178.83 176.17 1o8t h ASN 35 N 0.80 0.00 -0.40 -0.69 -1.24 0.62 -1.50 115.58 113.17 1o8t h ASN 35 Ca 0.17 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.23 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.38 1o8t h ASN 35 CO 0.01 0.07 0.13 0.25 -1.29 0.00 0.00 177.43 176.60 1o8t h LEU 36 N 0.00 0.12 -0.81 0.34 6.46 0.91 0.31 115.31 122.64 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1o8t h LEU 36 Cb 0.15 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1o8t h LEU 36 CO 0.01 0.10 0.31 1.88 -0.62 0.00 0.00 178.44 180.12 1o8t h TYR 37 N 0.28 1.21 0.69 1.25 0.05 -1.33 -2.83 116.97 116.29 1o8t h TYR 37 Ca 0.19 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 1o8t h TYR 37 Cb 0.19 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1o8t h TYR 37 CO -0.16 0.92 -0.46 1.49 -1.05 0.00 0.00 178.16 178.90 1o8t h GLU 38 N 1.15 -1.04 0.00 4.88 4.22 -0.20 -2.46 114.58 121.13 1o8t h GLU 38 Ca 0.26 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.77 1o8t h GLU 38 Cb 0.23 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1o8t h GLU 38 CO -0.02 -0.69 0.00 0.36 -2.18 0.00 0.00 179.01 176.48 1o8t n LYS 39 N -5.30 0.02 0.25 1.92 2.85 0.86 -2.88 118.16 115.88 1o8t n LYS 39 Ca -0.13 0.36 -0.13 0.00 -1.05 0.00 0.00 58.31 57.35 1o8t n LYS 39 Cb 0.46 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.27 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1o8t h THR 40 N 0.00 0.31 -0.60 0.58 2.02 -1.18 -3.27 112.91 110.78 1o8t h THR 40 Ca 0.00 -0.48 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 1o8t h THR 40 Cb 0.05 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1o8t h THR 40 CO 0.00 0.05 0.02 0.22 0.37 0.00 0.00 175.52 176.18 1o8t h TYR 41 N -1.02 1.12 -3.94 3.16 5.03 -1.61 -3.44 116.97 116.26 1o8t h TYR 41 Ca -0.07 -0.18 -0.52 0.00 2.58 0.00 0.00 58.73 60.54 1o8t h TYR 41 Cb 0.60 -0.30 0.07 0.00 1.55 0.00 0.00 36.73 38.65 1o8t h TYR 41 CO 0.01 0.98 0.55 -0.51 -1.32 0.00 0.00 178.16 177.88 1o8t s LEU 42 N -9.32 4.21 -0.18 2.82 1.02 -1.18 -4.94 118.68 111.11 1o8t s LEU 42 Ca -0.11 2.49 0.04 0.00 0.02 0.00 0.00 54.13 56.57 1o8t s LEU 42 Cb 0.14 -3.96 0.38 0.00 0.02 0.00 0.00 46.19 42.77 1o8t s LEU 42 CO 0.85 -0.76 1.32 -0.81 0.02 0.00 0.00 176.35 176.98 1o8t n PRO 43 N 0.12 2.24 0.20 1.29 -0.04 -1.26 -4.40 135.00 133.14 1o8t n PRO 43 Ca 0.04 -1.57 0.14 0.00 -0.04 0.00 0.00 63.50 62.08 1o8t n PRO 43 Cb 0.45 -1.73 0.67 0.00 -0.04 0.00 0.00 33.50 32.85 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 2.17 1.00 -0.77 0.55 0.00 -1.92 -3.29 119.26 117.00 1o8t h ALA 44 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.20 1o8t h ALA 44 Cb 1.65 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.31 1o8t h ALA 44 CO 0.43 0.00 -0.45 0.28 0.00 0.00 0.00 179.25 179.51 1o8t h VAL 45 N 0.00 0.05 -0.03 0.00 2.07 -1.87 0.59 116.25 117.05 1o8t h VAL 45 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1o8t h VAL 45 Cb 0.24 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1o8t h VAL 45 CO 0.00 0.00 -0.67 0.44 0.02 0.00 0.00 177.57 177.36 1o8t h ASP 46 N -0.12 0.18 -0.10 0.57 5.19 -1.96 -3.00 116.42 117.17 1o8t h ASP 46 Ca 0.22 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1o8t h ASP 46 Cb 0.54 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 1o8t h ASP 46 CO -0.82 0.79 -0.03 -0.33 -3.12 0.00 0.00 179.24 175.73 1o8t h GLU 47 N 0.11 0.19 0.00 3.56 5.08 -1.19 -2.96 114.58 119.36 1o8t h GLU 47 Ca -0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1o8t h GLU 47 Cb 1.19 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1o8t h GLU 47 CO 0.10 0.51 -0.09 0.87 -1.00 0.00 0.00 179.01 179.39 1o8t h LYS 48 N -0.14 0.00 0.66 2.33 1.79 0.03 0.14 116.57 121.37 1o8t h LYS 48 Ca 0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1o8t h LYS 48 Cb 0.44 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1o8t h LYS 48 CO 0.01 0.09 -0.32 -0.07 -1.08 0.00 0.00 179.45 178.09 1o8t h LEU 49 N 0.00 -0.75 -1.50 2.94 3.38 -1.37 -0.51 115.31 117.50 1o8t h LEU 49 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1o8t h LEU 49 Cb 0.22 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1o8t h LEU 49 CO 0.01 -0.47 -0.04 0.03 0.09 0.00 0.00 178.44 178.06 1o8t h ARG 50 N -1.01 0.27 0.29 1.13 3.08 -1.43 -1.82 114.38 114.89 1o8t h ARG 50 Ca -0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1o8t h ARG 50 Cb 0.68 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1o8t h ARG 50 CO 0.15 0.34 -0.32 0.22 -1.07 0.00 0.00 179.97 179.28 1o8t h ASP 51 N 0.27 -0.87 0.86 7.04 3.58 -0.58 -1.47 116.42 125.24 1o8t h ASP 51 Ca 0.06 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1o8t h ASP 51 Cb 0.25 0.30 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 1o8t h ASP 51 CO 0.01 -0.45 -0.10 -0.07 -2.88 0.00 0.00 179.24 175.75 1o8t h LEU 52 N -0.65 0.00 -0.20 2.28 3.38 -0.90 -3.03 115.31 116.19 1o8t h LEU 52 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1o8t h LEU 52 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1o8t h LEU 52 CO -0.08 0.10 -0.05 0.22 0.09 0.00 0.00 178.44 178.73 1o8t h TYR 53 N 0.00 0.44 -0.41 1.13 5.03 -0.62 -0.36 116.97 122.18 1o8t h TYR 53 Ca -0.00 -0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.21 1o8t h TYR 53 Cb 0.56 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 1o8t h TYR 53 CO 0.00 0.64 0.24 0.77 -1.32 0.00 0.00 178.16 178.49 1o8t h SER 54 N 0.11 0.49 -0.09 -2.11 0.02 -1.18 -2.12 113.55 108.67 1o8t h SER 54 Ca 0.05 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1o8t h SER 54 Cb 0.50 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1o8t h SER 54 CO 0.02 0.41 0.05 0.11 -1.14 0.00 0.00 176.83 176.28 1o8t h LYS 55 N 0.53 0.13 0.00 3.45 1.57 -1.50 -2.62 116.57 118.14 1o8t h LYS 55 Ca 0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1o8t h LYS 55 Cb 0.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1o8t h LYS 55 CO -0.03 0.18 0.00 0.66 -0.57 0.00 0.00 179.45 179.69 1o8t h SER 56 N 0.05 0.00 0.17 0.86 4.64 -0.90 -1.76 113.55 116.61 1o8t h SER 56 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1o8t h SER 56 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1o8t h SER 56 CO -0.00 0.00 -0.16 0.74 -0.87 0.00 0.00 176.83 176.54 1o8t h THR 57 N 0.00 0.65 0.11 2.95 2.02 -0.98 -0.25 112.91 117.41 1o8t h THR 57 Ca 0.00 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 1o8t h THR 57 Cb 0.13 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1o8t h THR 57 CO 0.00 0.00 -1.65 0.00 0.37 0.00 0.00 175.52 174.24 1o8t h ALA 58 N 0.44 0.29 0.76 6.16 0.00 -1.67 -3.26 119.26 121.98 1o8t h ALA 58 Ca -0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 54.91 53.64 1o8t h ALA 58 Cb 0.33 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1o8t h ALA 58 CO -0.03 1.01 -0.36 0.00 0.00 0.00 0.00 179.25 179.87 1o8t h ALA 59 N -0.06 -1.14 0.00 0.00 0.00 -1.40 -2.99 119.26 113.67 1o8t h ALA 59 Ca -0.36 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1o8t h ALA 59 Cb 1.82 0.39 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1o8t h ALA 59 CO 0.04 -1.07 0.00 1.98 0.00 0.00 0.00 179.25 180.20 1o8t h MET 60 N -1.13 0.00 0.00 0.00 4.05 -1.23 -2.09 114.93 114.54 1o8t h MET 60 Ca -0.10 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1o8t h MET 60 Cb 0.78 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1o8t h MET 60 CO 0.17 0.00 0.00 0.77 0.23 0.00 0.00 176.91 178.08 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.02 -1.53 0.14 113.55 113.58 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 -2.21 0.35 -1.14 0.00 0.00 176.83 173.83 1o8t n THR 62 N -2.79 1.53 0.30 -2.27 -2.24 -0.79 -4.20 114.28 103.82 1o8t n THR 62 Ca 0.00 -0.30 0.17 0.00 -2.27 0.00 0.00 64.05 61.66 1o8t n THR 62 Cb 0.21 -1.92 0.81 0.00 -2.10 0.00 0.00 70.33 67.34 1o8t n THR 62 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1o8t h TYR 63 N -0.98 0.00 0.40 4.78 0.05 -1.55 -0.24 116.97 119.43 1o8t h TYR 63 Ca -0.61 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.15 1o8t h TYR 63 Cb 1.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.29 1o8t h TYR 63 CO -0.04 0.00 -0.19 1.15 -1.05 0.00 0.00 178.16 178.03 1o8t h THR 64 N 0.00 0.36 -0.45 -2.88 2.02 -1.15 0.58 112.91 111.39 1o8t h THR 64 Ca 0.00 -0.64 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1o8t h THR 64 Cb 0.24 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1o8t h THR 64 CO 0.00 0.07 -0.08 1.23 0.37 0.00 0.00 175.52 177.11 1o8t h GLY 65 N -1.01 0.85 0.83 2.16 0.00 -1.69 -1.93 103.07 102.28 1o8t h GLY 65 Ca -0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1o8t h GLY 65 CO 0.09 0.57 -0.32 -2.22 0.00 0.00 0.00 176.54 174.66 1o8t h ILE 66 N 0.72 0.22 -0.15 2.60 2.04 -1.07 0.50 117.51 122.37 1o8t h ILE 66 Ca 0.13 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.80 1o8t h ILE 66 Cb 0.55 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1o8t h ILE 66 CO 0.03 0.02 -0.37 0.15 0.00 0.00 0.00 178.15 177.99 1o8t h PHE 67 N -1.09 -1.04 0.00 1.37 3.57 0.19 0.32 116.94 120.26 1o8t h PHE 67 Ca -0.09 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.73 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1o8t h PHE 67 CO -0.00 -0.43 -0.04 0.00 -2.23 0.00 0.00 178.31 175.61 1o8t h THR 68 N -0.43 0.18 0.54 4.41 1.03 -1.40 -2.89 112.91 114.35 1o8t h THR 68 Ca 0.09 -0.32 -0.02 0.00 -0.01 0.00 0.00 66.41 66.15 1o8t h THR 68 Cb 0.59 1.26 -0.01 0.00 -1.07 0.00 0.00 68.15 68.92 1o8t h THR 68 CO -0.39 0.04 -0.40 -0.78 -0.01 0.00 0.00 175.52 173.98 1o8t h ASP 69 N 0.00 -1.03 0.78 0.00 1.82 0.13 0.12 116.42 118.24 1o8t h ASP 69 Ca -0.00 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1o8t h ASP 69 Cb 0.26 0.32 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1o8t h ASP 69 CO 0.00 -0.59 -0.21 0.06 -1.61 0.00 0.00 179.24 176.90 1o8t h GLN 70 N -0.91 0.00 0.26 0.28 -0.00 -1.44 -2.14 115.11 111.17 1o8t h GLN 70 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1o8t h GLN 70 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.25 1o8t h GLN 70 CO 0.02 0.21 -0.13 0.28 -0.00 0.00 0.00 178.83 179.21 1o8t h VAL 71 N 0.00 0.76 -0.71 1.86 2.07 -1.25 -2.21 116.25 116.77 1o8t h VAL 71 Ca -0.00 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1o8t h VAL 71 Cb 0.66 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1o8t h VAL 71 CO 0.03 0.14 0.47 -0.07 0.02 0.00 0.00 177.57 178.15 1o8t h LEU 72 N -0.74 0.61 -1.11 2.57 4.07 -0.72 0.10 115.31 120.09 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.99 1o8t h LEU 72 Cb 0.50 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.06 1o8t h LEU 72 CO 0.06 0.38 0.61 -1.28 -1.08 0.00 0.00 178.44 177.13 1o8t h SER 73 N 0.69 0.96 1.04 -0.43 0.87 -1.17 0.12 113.55 115.64 1o8t h SER 73 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1o8t h SER 73 Cb 0.34 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1o8t h SER 73 CO -0.11 0.63 0.00 0.58 -0.53 0.00 0.00 176.83 177.41 1o8t h VAL 74 N 1.10 0.00 -0.36 2.23 2.07 -0.35 -2.83 116.25 118.11 1o8t h VAL 74 Ca 0.39 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1o8t h VAL 74 Cb 0.13 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1o8t h VAL 74 CO -0.14 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 177.68 1o8t h LEU 75 N 0.00 0.54 -0.11 2.57 7.12 -0.41 0.31 115.31 125.32 1o8t h LEU 75 Ca 0.00 -0.11 -0.07 0.00 0.13 0.00 0.00 57.88 57.83 1o8t h LEU 75 Cb 0.52 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1o8t h LEU 75 CO 0.00 0.63 -0.20 0.11 -0.13 0.00 0.00 178.44 178.84 1o8t h LYS 76 N 0.54 0.34 0.33 1.25 6.56 -1.48 -3.37 116.57 120.75 1o8t h LYS 76 Ca 0.11 -0.21 -0.02 0.00 -1.06 0.00 0.00 60.65 59.47 1o8t h LYS 76 Cb 0.38 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1o8t h LYS 76 CO 0.02 0.80 -0.16 0.78 -2.06 0.00 0.00 179.45 178.83 1o8t h GLY 77 N -0.09 -0.47 0.00 3.86 0.00 -1.54 -3.47 103.07 101.37 1o8t h GLY 77 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1o8t h GLY 77 CO 0.05 -0.17 0.00 1.18 0.00 0.00 0.00 176.54 177.60 1o8t n GLU 78 N -3.85 0.00 0.00 4.80 4.71 0.37 -5.12 120.64 121.55 1o8t n GLU 78 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1o8t n GLU 78 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.61 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31