#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t h GLN 2 N 0.00 -0.16 -6.56 -0.78 -0.00 -2.04 -3.43 115.11 102.14 1o8t h GLN 2 Ca 0.00 0.01 -0.52 0.00 -0.00 0.00 0.00 58.65 58.14 1o8t h GLN 2 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 1o8t h GLN 2 CO 0.00 -0.10 -0.06 -0.65 0.00 0.00 0.00 178.83 178.01 1o8t s GLN 3 N -6.16 3.73 -1.21 1.69 -1.52 -1.26 -4.99 119.66 109.94 1o8t s GLN 3 Ca -0.14 0.22 -0.21 0.00 -1.95 0.00 0.00 55.36 53.28 1o8t s GLN 3 Cb 0.08 -2.58 -0.02 0.00 -0.22 0.00 0.00 33.01 30.27 1o8t s GLN 3 CO 0.66 0.19 1.84 -1.25 -0.25 0.00 0.00 175.29 176.48 1o8t s PRO 4 N -3.37 3.11 0.67 2.91 0.04 -1.26 -4.96 135.00 132.14 1o8t s PRO 4 Ca 0.47 -1.45 -0.13 0.00 0.04 0.00 0.00 61.00 59.93 1o8t s PRO 4 Cb -0.11 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.08 1o8t s PRO 4 CO 0.27 -3.23 1.08 -0.65 0.04 0.00 0.00 177.00 174.50 1o8t s GLN 5 N 5.58 2.88 0.00 4.56 1.11 -1.26 -4.99 119.66 127.54 1o8t s GLN 5 Ca 0.62 1.17 -0.25 0.00 0.01 0.00 0.00 55.36 56.92 1o8t s GLN 5 Cb 0.01 -1.97 -0.18 0.00 -1.01 0.00 0.00 33.01 29.85 1o8t s GLN 5 CO 0.10 -1.16 1.29 0.37 0.01 0.00 0.00 175.29 175.90 1o8t h GLN 6 N -0.28 -0.16 0.00 2.91 -0.00 -2.04 -3.18 115.11 112.36 1o8t h GLN 6 Ca -0.45 0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.11 1o8t h GLN 6 Cb 1.23 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.73 1o8t h GLN 6 CO 0.55 0.20 -0.48 -0.44 0.00 0.00 0.00 178.83 178.65 1o8t h ASP 7 N -0.55 0.00 -2.23 -0.69 3.32 -2.01 -3.41 116.42 110.84 1o8t h ASP 7 Ca -0.02 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.51 1o8t h ASP 7 Cb 0.44 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1o8t h ASP 7 CO 0.03 0.48 1.31 -0.70 -1.72 0.00 0.00 179.24 178.64 1o8t s GLU 8 N -3.73 2.85 0.04 3.56 -6.30 -1.20 -4.96 118.70 108.97 1o8t s GLU 8 Ca -0.01 0.75 -0.30 0.00 -2.50 0.00 0.00 54.97 52.90 1o8t s GLU 8 Cb 0.12 -4.32 -0.07 0.00 0.00 0.00 0.00 34.13 29.87 1o8t s GLU 8 CO 0.73 -2.46 1.46 -1.64 0.02 0.00 0.00 175.26 173.37 1o8t s MET 9 N 6.57 4.27 0.47 4.30 -1.94 -1.26 -4.53 119.30 127.18 1o8t s MET 9 Ca 0.68 2.07 -0.23 0.00 -1.71 0.00 0.00 55.69 56.50 1o8t s MET 9 Cb -0.14 -3.52 -0.07 0.00 2.01 0.00 0.00 34.83 33.11 1o8t s MET 9 CO 0.24 -0.59 1.18 -1.25 -0.01 0.00 0.00 175.02 174.59 1o8t s PRO 10 N 2.22 3.67 -0.21 2.03 0.04 -1.26 -4.97 135.00 136.52 1o8t s PRO 10 Ca 0.66 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 1o8t s PRO 10 Cb -0.34 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 1o8t s PRO 10 CO 0.28 -0.63 1.42 -1.12 0.04 0.00 0.00 177.00 176.99 1o8t s SER 11 N -1.36 6.67 0.86 6.66 0.01 -1.26 -5.02 113.70 120.26 1o8t s SER 11 Ca 0.65 1.58 -0.13 0.00 1.31 0.00 0.00 55.95 59.36 1o8t s SER 11 Cb -0.29 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.52 1o8t s SER 11 CO 0.35 -1.02 1.20 -2.16 0.41 0.00 0.00 173.24 172.02 1o8t s PRO 12 N 4.11 1.53 -0.69 12.44 0.04 -1.26 -4.95 135.00 146.21 1o8t s PRO 12 Ca 0.62 0.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 1o8t s PRO 12 Cb -0.22 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1o8t s PRO 12 CO 0.23 -1.88 1.76 0.99 0.04 0.00 0.00 177.00 178.14 1o8t s THR 13 N -3.58 3.45 0.14 1.26 2.01 -1.26 -4.21 115.64 113.44 1o8t s THR 13 Ca 0.65 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1o8t s THR 13 Cb -0.10 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.25 1o8t s THR 13 CO 0.51 -1.11 0.00 0.33 -0.69 0.00 0.00 174.62 173.65 1o8t n PHE 14 N 12.24 -3.08 0.12 4.92 7.35 -1.26 -4.94 117.46 132.81 1o8t n PHE 14 Ca 0.21 0.47 0.04 0.00 -0.76 0.00 0.00 57.45 57.40 1o8t n PHE 14 Cb 0.51 1.50 0.45 0.00 0.35 0.00 0.00 39.48 42.29 1o8t n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1o8t h LEU 15 N 0.00 0.23 -0.58 -2.13 3.38 -1.99 -2.62 115.31 111.60 1o8t h LEU 15 Ca 0.00 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1o8t h LEU 15 Cb 0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1o8t h LEU 15 CO 0.00 0.29 0.33 0.71 0.09 0.00 0.00 178.44 179.86 1o8t h THR 16 N 0.25 1.01 0.61 0.22 1.35 -1.92 -2.93 112.91 111.50 1o8t h THR 16 Ca 0.06 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.67 1o8t h THR 16 Cb 0.21 0.32 0.01 0.00 -1.73 0.00 0.00 68.15 66.95 1o8t h THR 16 CO 0.01 0.12 -0.29 -0.61 -0.25 0.00 0.00 175.52 174.49 1o8t h GLN 17 N 0.63 -0.79 -0.53 4.72 4.15 -1.85 -3.18 115.11 118.26 1o8t h GLN 17 Ca 0.25 0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.85 1o8t h GLN 17 Cb 0.10 0.18 -0.10 0.00 0.21 0.00 0.00 27.48 27.87 1o8t h GLN 17 CO -0.14 -0.49 -0.06 0.28 -1.93 0.00 0.00 178.83 176.49 1o8t n VAL 18 N -5.40 -0.22 -0.22 2.39 0.31 -1.11 0.54 118.33 114.61 1o8t n VAL 18 Ca -0.13 1.19 0.02 0.00 -0.01 0.00 0.00 64.34 65.41 1o8t n VAL 18 Cb 0.35 -1.69 0.13 0.00 -0.91 0.00 0.00 33.84 31.72 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 0.30 -0.13 5.55 1.57 -1.53 0.24 116.57 122.58 1o8t h LYS 19 Ca 0.29 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1o8t h LYS 19 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1o8t h LYS 19 CO -0.52 0.20 -0.14 0.93 -0.57 0.00 0.00 179.45 179.35 1o8t h GLU 20 N 0.31 0.20 -0.70 3.15 3.07 -0.07 -2.38 114.58 118.16 1o8t h GLU 20 Ca 0.34 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.12 1o8t h GLU 20 Cb 0.52 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 1o8t h GLU 20 CO -0.41 0.34 0.28 0.77 -1.40 0.00 0.00 179.01 178.60 1o8t h SER 21 N 0.19 0.95 -0.15 1.42 0.02 -0.84 -1.99 113.55 113.15 1o8t h SER 21 Ca 0.04 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 1o8t h SER 21 Cb 0.36 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1o8t h SER 21 CO 0.02 0.84 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.23 1o8t h LEU 22 N 1.01 0.49 -0.40 5.07 3.38 -1.00 -2.78 115.31 121.08 1o8t h LEU 22 Ca 0.24 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1o8t h LEU 22 Cb 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1o8t h LEU 22 CO -0.02 0.93 0.24 0.77 0.09 0.00 0.00 178.44 180.45 1o8t h SER 23 N 0.06 0.39 0.38 -0.43 4.64 -1.35 -0.91 113.55 116.34 1o8t h SER 23 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1o8t h SER 23 Cb 0.83 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1o8t h SER 23 CO 0.06 0.28 -0.03 0.28 -0.87 0.00 0.00 176.83 176.55 1o8t h SER 24 N 0.49 0.00 0.09 4.97 0.02 -1.41 -2.34 113.55 115.37 1o8t h SER 24 Ca 0.16 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.85 1o8t h SER 24 Cb -0.00 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.56 1o8t h SER 24 CO -0.07 0.03 -1.08 0.22 -1.14 0.00 0.00 176.83 174.79 1o8t h TYR 25 N 0.00 0.92 -0.56 3.45 5.03 -0.90 -3.29 116.97 121.62 1o8t h TYR 25 Ca -0.00 -0.56 -0.05 0.00 2.58 0.00 0.00 58.73 60.70 1o8t h TYR 25 Cb 0.23 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 1o8t h TYR 25 CO 0.00 1.40 0.13 2.35 -1.32 0.00 0.00 178.16 180.73 1o8t h TRP 26 N 0.17 0.88 -0.91 -3.82 -0.00 -0.83 -0.06 115.95 111.38 1o8t h TRP 26 Ca -0.16 -0.08 0.09 0.00 -0.00 0.00 0.00 58.89 58.74 1o8t h TRP 26 Cb 1.77 -0.26 -0.12 0.00 -0.00 0.00 0.00 29.16 30.55 1o8t h TRP 26 CO 0.13 0.74 -0.55 0.93 -0.00 0.00 0.00 178.44 179.69 1o8t h GLU 27 N 0.83 -0.06 0.00 2.65 4.39 -1.55 0.16 114.58 121.00 1o8t h GLU 27 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1o8t h GLU 27 Cb 0.30 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1o8t h GLU 27 CO -0.00 -0.04 -0.50 -1.13 -1.16 0.00 0.00 179.01 176.18 1o8t n SER 28 N -5.30 0.53 0.28 1.42 3.41 -1.19 -3.99 113.62 108.78 1o8t n SER 28 Ca 0.03 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1o8t n SER 28 Cb 0.29 0.13 0.82 0.00 -0.26 0.00 0.00 64.21 65.20 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o8t h ALA 29 N 2.80 1.61 -0.08 7.33 0.00 0.13 -2.99 119.26 128.06 1o8t h ALA 29 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1o8t h ALA 29 Cb 0.60 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1o8t h ALA 29 CO 0.00 0.02 -0.25 -0.22 0.00 0.00 0.00 179.25 178.81 1o8t h LYS 30 N 0.00 -0.33 -1.06 0.00 3.64 -1.63 -0.64 116.57 116.56 1o8t h LYS 30 Ca -0.00 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.68 1o8t h LYS 30 Cb 0.05 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 1o8t h LYS 30 CO 0.00 -0.22 0.68 1.79 -2.27 0.00 0.00 179.45 179.43 1o8t h THR 31 N -0.34 0.50 -0.74 1.00 1.35 -1.82 0.48 112.91 113.34 1o8t h THR 31 Ca 0.09 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.79 1o8t h THR 31 Cb 0.47 0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 66.95 1o8t h THR 31 CO -0.28 0.07 0.36 0.00 -0.25 0.00 0.00 175.52 175.42 1o8t h ALA 32 N 1.62 0.95 -0.21 6.62 0.00 -1.25 -0.64 119.26 126.35 1o8t h ALA 32 Ca 0.61 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.42 1o8t h ALA 32 Cb 1.58 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1o8t h ALA 32 CO -0.30 0.51 -0.43 0.00 0.00 0.00 0.00 179.25 179.04 1o8t h ALA 33 N 1.18 -0.56 -0.49 0.00 0.00 0.33 0.62 119.26 120.34 1o8t h ALA 33 Ca 0.26 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1o8t h ALA 33 Cb 0.11 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1o8t h ALA 33 CO -0.03 -0.92 0.06 1.96 0.00 0.00 0.00 179.25 180.32 1o8t h GLN 34 N -0.45 0.78 0.00 0.00 4.20 -1.47 -1.89 115.11 116.28 1o8t h GLN 34 Ca 0.09 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1o8t h GLN 34 Cb 0.62 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1o8t h GLN 34 CO -0.45 0.75 -0.07 -0.97 -0.67 0.00 0.00 178.83 177.41 1o8t h ASN 35 N 0.74 0.00 -0.43 1.46 -1.24 0.56 -1.62 115.58 115.04 1o8t h ASN 35 Ca 0.15 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.22 1o8t h ASN 35 Cb 0.37 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.37 1o8t h ASN 35 CO 0.01 0.07 0.16 0.25 -1.29 0.00 0.00 177.43 176.63 1o8t h LEU 36 N 0.00 0.17 -0.95 0.34 6.46 0.10 0.20 115.31 121.63 1o8t h LEU 36 Ca -0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1o8t h LEU 36 Cb 0.14 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1o8t h LEU 36 CO 0.01 0.13 0.25 1.88 -0.62 0.00 0.00 178.44 180.09 1o8t h TYR 37 N 0.32 1.04 0.67 1.25 -1.99 -1.36 -2.93 116.97 113.97 1o8t h TYR 37 Ca 0.20 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 1o8t h TYR 37 Cb 0.19 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.60 1o8t h TYR 37 CO -0.15 0.80 -0.45 1.49 -0.00 0.00 0.00 178.16 179.85 1o8t h GLU 38 N 0.99 -1.03 0.00 4.88 4.22 -0.25 -2.39 114.58 121.01 1o8t h GLU 38 Ca 0.23 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1o8t h GLU 38 Cb 0.22 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1o8t h GLU 38 CO -0.02 -0.69 0.00 1.17 -2.18 0.00 0.00 179.01 177.30 1o8t n LYS 39 N -5.57 0.03 0.14 1.92 4.81 0.43 -2.56 118.16 117.36 1o8t n LYS 39 Ca -0.13 0.51 -0.13 0.00 -0.87 0.00 0.00 58.31 57.69 1o8t n LYS 39 Cb 0.46 -1.60 -0.08 0.00 0.02 0.00 0.00 35.03 33.83 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1o8t h THR 40 N 0.00 0.72 -0.63 3.15 2.02 -1.23 -3.25 112.91 113.69 1o8t h THR 40 Ca 0.00 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1o8t h THR 40 Cb 0.02 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1o8t h THR 40 CO 0.00 0.13 0.04 0.22 0.37 0.00 0.00 175.52 176.27 1o8t h TYR 41 N -0.76 1.17 -3.88 3.16 3.20 -1.57 -3.44 116.97 114.86 1o8t h TYR 41 Ca -0.04 -0.19 -0.52 0.00 3.14 0.00 0.00 58.73 61.12 1o8t h TYR 41 Cb 0.50 -0.31 0.06 0.00 1.54 0.00 0.00 36.73 38.52 1o8t h TYR 41 CO 0.03 1.01 0.60 -0.51 -1.64 0.00 0.00 178.16 177.65 1o8t s LEU 42 N -9.39 4.42 -0.22 2.82 2.01 -1.16 -4.94 118.68 112.22 1o8t s LEU 42 Ca -0.12 2.60 0.03 0.00 0.01 0.00 0.00 54.13 56.65 1o8t s LEU 42 Cb 0.14 -3.69 0.38 0.00 0.01 0.00 0.00 46.19 43.03 1o8t s LEU 42 CO 0.85 -0.50 1.43 -0.81 1.01 0.00 0.00 176.35 178.34 1o8t n PRO 43 N 0.77 1.98 0.20 1.29 -0.04 -1.26 -4.43 135.00 133.50 1o8t n PRO 43 Ca 0.00 -1.65 0.14 0.00 -0.04 0.00 0.00 63.50 61.96 1o8t n PRO 43 Cb 0.43 -1.70 0.66 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 1.80 1.00 -0.88 0.55 0.00 -1.92 -3.28 119.26 116.52 1o8t h ALA 44 Ca 0.27 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.35 1o8t h ALA 44 Cb 1.87 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.50 1o8t h ALA 44 CO 0.53 0.00 -0.25 -0.39 0.00 0.00 0.00 179.25 179.14 1o8t h VAL 45 N 0.00 0.10 0.08 0.00 -1.51 -1.89 0.76 116.25 113.79 1o8t h VAL 45 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.22 1o8t h VAL 45 Cb 0.24 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.50 1o8t h VAL 45 CO 0.00 0.00 -1.12 -0.78 -1.23 0.00 0.00 177.57 174.44 1o8t h ASP 46 N -0.01 0.39 0.48 4.19 3.58 -1.97 -3.10 116.42 119.99 1o8t h ASP 46 Ca 0.41 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1o8t h ASP 46 Cb 0.64 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1o8t h ASP 46 CO -0.91 1.26 -0.23 -0.08 -2.88 0.00 0.00 179.24 176.40 1o8t h GLU 47 N 0.10 -0.62 -0.28 0.28 4.22 -1.17 -3.00 114.58 114.12 1o8t h GLU 47 Ca -0.10 0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.46 1o8t h GLU 47 Cb 1.83 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 1o8t h GLU 47 CO 0.18 -0.32 0.27 -0.22 -2.18 0.00 0.00 179.01 176.74 1o8t h LYS 48 N -1.03 0.00 0.40 1.92 3.64 0.28 0.34 116.57 122.12 1o8t h LYS 48 Ca -0.07 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1o8t h LYS 48 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1o8t h LYS 48 CO 0.11 0.00 -0.19 1.25 -2.27 0.00 0.00 179.45 178.35 1o8t h LEU 49 N 0.00 -0.46 -1.50 5.20 5.85 -1.45 -0.54 115.31 122.42 1o8t h LEU 49 Ca 0.13 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1o8t h LEU 49 Cb 0.67 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1o8t h LEU 49 CO -0.00 -0.29 -0.04 0.08 -0.34 0.00 0.00 178.44 177.85 1o8t h ARG 50 N -0.62 0.27 0.37 1.25 0.11 -1.35 -1.39 114.38 113.03 1o8t h ARG 50 Ca -0.05 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 1o8t h ARG 50 Cb 0.41 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.42 1o8t h ARG 50 CO 0.09 0.33 -0.36 0.22 0.10 0.00 0.00 179.97 180.36 1o8t h ASP 51 N 0.27 -0.97 1.17 0.08 1.82 -0.26 -1.97 116.42 116.56 1o8t h ASP 51 Ca 0.06 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1o8t h ASP 51 Cb 0.25 0.33 0.00 0.00 0.68 0.00 0.00 39.33 40.58 1o8t h ASP 51 CO 0.01 -0.50 0.00 -0.07 -1.61 0.00 0.00 179.24 177.06 1o8t h LEU 52 N -0.75 0.00 -0.04 2.28 -0.00 -0.93 -3.15 115.31 112.72 1o8t h LEU 52 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1o8t h LEU 52 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1o8t h LEU 52 CO -0.06 0.00 -0.01 1.88 -0.00 0.00 0.00 178.44 180.25 1o8t h TYR 53 N 0.00 0.08 -0.08 1.13 0.05 -0.63 0.99 116.97 118.50 1o8t h TYR 53 Ca 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1o8t h TYR 53 Cb 0.59 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 1o8t h TYR 53 CO 0.00 0.42 0.05 0.77 -1.05 0.00 0.00 178.16 178.35 1o8t h SER 54 N -0.28 0.10 -0.41 3.88 0.02 -1.37 -0.61 113.55 114.87 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 0.39 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1o8t h SER 54 CO 0.00 0.13 0.22 0.50 -1.14 0.00 0.00 176.83 176.55 1o8t h LYS 55 N 0.06 0.58 -0.22 3.45 3.64 -1.57 -2.73 116.57 119.78 1o8t h LYS 55 Ca 0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1o8t h LYS 55 Cb 0.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1o8t h LYS 55 CO -0.01 0.48 0.10 0.66 -2.27 0.00 0.00 179.45 178.41 1o8t h SER 56 N 0.53 0.30 -0.69 4.20 4.64 -0.66 -1.85 113.55 120.03 1o8t h SER 56 Ca 0.14 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1o8t h SER 56 Cb 0.07 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 1o8t h SER 56 CO -0.02 0.37 0.45 0.71 -0.87 0.00 0.00 176.83 177.47 1o8t h THR 57 N 0.22 1.05 0.29 2.95 1.35 -1.06 0.45 112.91 118.17 1o8t h THR 57 Ca 0.08 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1o8t h THR 57 Cb 0.15 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1o8t h THR 57 CO -0.01 0.14 -0.14 0.00 -0.25 0.00 0.00 175.52 175.26 1o8t h ALA 58 N 1.62 -0.39 -0.49 6.62 0.00 -1.29 -3.04 119.26 122.29 1o8t h ALA 58 Ca 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1o8t h ALA 58 Cb 0.17 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1o8t h ALA 58 CO -0.09 -0.46 0.23 0.00 0.00 0.00 0.00 179.25 178.93 1o8t h ALA 59 N -0.53 0.63 0.00 0.00 0.00 -1.18 -2.45 119.26 115.73 1o8t h ALA 59 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1o8t h ALA 59 Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1o8t h ALA 59 CO 0.07 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 178.19 1o8t n MET 60 N -4.61 0.11 0.26 0.00 2.81 0.16 -1.94 117.12 113.91 1o8t n MET 60 Ca 0.02 0.56 0.17 0.00 -1.81 0.00 0.00 57.70 56.64 1o8t n MET 60 Cb 0.12 -1.82 0.78 0.00 -0.71 0.00 0.00 33.22 31.59 1o8t n MET 60 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1o8t h SER 61 N 0.00 0.00 0.00 7.83 0.87 -1.31 0.16 113.55 121.10 1o8t h SER 61 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 1o8t h SER 61 Cb 0.06 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.97 1o8t h SER 61 CO 0.00 0.00 -2.22 0.41 -0.53 0.00 0.00 176.83 174.49 1o8t n THR 62 N -2.89 1.20 0.30 2.23 -1.04 -0.82 -4.48 114.28 108.78 1o8t n THR 62 Ca -0.00 -0.33 0.15 0.00 -2.04 0.00 0.00 64.05 61.83 1o8t n THR 62 Cb 0.22 -1.72 0.72 0.00 -1.82 0.00 0.00 70.33 67.73 1o8t n THR 62 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1o8t h TYR 63 N -0.68 0.00 0.43 -1.42 0.05 -1.56 -1.62 116.97 112.17 1o8t h TYR 63 Ca -0.54 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.21 1o8t h TYR 63 Cb 1.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.26 1o8t h TYR 63 CO -0.06 0.00 -0.21 1.15 -1.05 0.00 0.00 178.16 178.00 1o8t h THR 64 N 0.00 0.28 -0.67 -2.88 2.02 -1.18 0.71 112.91 111.20 1o8t h THR 64 Ca 0.00 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1o8t h THR 64 Cb 0.22 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1o8t h THR 64 CO 0.00 0.06 0.20 1.23 0.37 0.00 0.00 175.52 177.38 1o8t h GLY 65 N -1.05 1.10 0.76 2.16 0.00 -1.76 -0.72 103.07 103.56 1o8t h GLY 65 Ca -0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 1o8t h GLY 65 CO 0.10 0.60 -0.37 -2.22 0.00 0.00 0.00 176.54 174.65 1o8t h ILE 66 N 0.98 0.00 -0.11 2.60 1.08 -1.32 0.82 117.51 121.56 1o8t h ILE 66 Ca 0.22 -0.16 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 1o8t h ILE 66 Cb 0.29 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.98 1o8t h ILE 66 CO -0.01 0.00 -0.40 0.15 -0.69 0.00 0.00 178.15 177.20 1o8t h PHE 67 N -1.18 -1.14 0.00 1.37 3.57 0.47 0.20 116.94 120.24 1o8t h PHE 67 Ca -0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.78 0.51 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1o8t h PHE 67 CO 0.02 -0.46 0.00 1.15 -2.23 0.00 0.00 178.31 176.78 1o8t h THR 68 N -0.48 0.00 0.64 4.41 2.02 -1.19 -3.04 112.91 115.27 1o8t h THR 68 Ca 0.08 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1o8t h THR 68 Cb 0.62 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1o8t h THR 68 CO -0.38 0.00 -0.45 -0.78 0.37 0.00 0.00 175.52 174.28 1o8t h ASP 69 N 0.00 -1.17 0.73 4.18 1.82 0.13 0.30 116.42 122.41 1o8t h ASP 69 Ca 0.00 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1o8t h ASP 69 Cb 0.21 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1o8t h ASP 69 CO 0.00 -0.67 -0.26 -0.61 -1.61 0.00 0.00 179.24 176.09 1o8t h GLN 70 N -1.05 0.00 0.32 0.28 5.75 -1.54 -1.75 115.11 117.12 1o8t h GLN 70 Ca -0.08 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1o8t h GLN 70 Cb 0.87 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.42 1o8t h GLN 70 CO 0.04 0.26 -0.16 0.28 -2.65 0.00 0.00 178.83 176.61 1o8t h VAL 71 N 0.00 0.63 -0.68 2.39 2.07 -1.35 -2.28 116.25 117.03 1o8t h VAL 71 Ca -0.00 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1o8t h VAL 71 Cb 0.69 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1o8t h VAL 71 CO 0.03 0.11 0.45 0.25 0.02 0.00 0.00 177.57 178.44 1o8t h LEU 72 N -0.82 0.56 -1.17 2.57 6.46 -0.36 0.03 115.31 122.57 1o8t h LEU 72 Ca -0.04 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1o8t h LEU 72 Cb 0.52 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 1o8t h LEU 72 CO 0.07 0.35 0.57 -1.28 -0.62 0.00 0.00 178.44 177.54 1o8t h SER 73 N 0.63 0.89 1.07 1.25 0.87 -1.11 0.13 113.55 117.29 1o8t h SER 73 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1o8t h SER 73 Cb 0.36 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1o8t h SER 73 CO -0.10 0.59 0.00 0.58 -0.53 0.00 0.00 176.83 177.37 1o8t h VAL 74 N 1.02 0.00 -0.35 2.23 2.07 -0.40 -2.84 116.25 117.97 1o8t h VAL 74 Ca 0.37 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1o8t h VAL 74 Cb 0.15 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1o8t h VAL 74 CO -0.13 0.00 -0.03 0.25 0.02 0.00 0.00 177.57 177.69 1o8t h LEU 75 N 0.00 0.53 0.05 2.57 5.85 -0.48 0.04 115.31 123.87 1o8t h LEU 75 Ca 0.00 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1o8t h LEU 75 Cb 0.54 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1o8t h LEU 75 CO 0.00 0.62 -0.02 0.50 -0.34 0.00 0.00 178.44 179.20 1o8t h LYS 76 N 0.53 -0.07 -0.78 1.25 3.11 -1.48 -1.52 116.57 117.62 1o8t h LYS 76 Ca 0.11 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.94 1o8t h LYS 76 Cb 0.38 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.59 1o8t h LYS 76 CO 0.02 0.45 0.41 0.78 -2.81 0.00 0.00 179.45 178.30 1o8t h GLY 77 N -0.63 1.17 0.93 5.01 0.00 -1.56 -2.90 103.07 105.09 1o8t h GLY 77 Ca -0.01 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 1o8t h GLY 77 CO 0.01 0.52 0.03 -2.09 0.00 0.00 0.00 176.54 175.02 1o8t h GLU 78 N 1.08 0.64 0.00 4.80 4.22 -1.05 -3.52 114.58 120.75 1o8t h GLU 78 Ca 0.27 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1o8t h GLU 78 Cb 0.06 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1o8t h GLU 78 CO -0.04 0.72 0.00 -1.91 -2.18 0.00 0.00 179.01 175.60