#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 3.09 -0.21 -2.82 -0.21 -1.26 -4.49 119.66 113.76 1o8t s GLN 2 Ca 0.00 -1.32 -0.04 0.00 0.02 0.00 0.00 55.36 54.02 1o8t s GLN 2 Cb 0.00 -4.30 0.10 0.00 1.00 0.00 0.00 33.01 29.81 1o8t s GLN 2 CO 0.00 -1.58 0.25 1.14 -2.12 0.00 0.00 175.29 172.98 1o8t s GLN 3 N 2.77 0.22 -1.42 2.91 -2.07 -1.26 -4.90 119.66 115.91 1o8t s GLN 3 Ca 0.14 0.27 -0.13 0.00 -1.82 0.00 0.00 55.36 53.82 1o8t s GLN 3 Cb -0.22 -1.07 -0.03 0.00 -1.09 0.00 0.00 33.01 30.60 1o8t s GLN 3 CO 0.05 -0.65 2.45 -0.35 -1.32 0.00 0.00 175.29 175.47 1o8t n PRO 4 N 5.33 2.97 -2.40 9.60 -0.04 -1.26 -2.16 135.00 147.04 1o8t n PRO 4 Ca -0.05 -2.31 -0.38 0.00 -0.04 0.00 0.00 63.50 60.72 1o8t n PRO 4 Cb 0.50 -3.03 -0.03 0.00 -0.04 0.00 0.00 33.50 30.90 1o8t n PRO 4 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1o8t s GLN 5 N 3.02 4.14 -0.00 0.54 0.74 -1.21 -4.83 119.66 122.05 1o8t s GLN 5 Ca 0.55 1.71 -0.11 0.00 0.05 0.00 0.00 55.36 57.57 1o8t s GLN 5 Cb 0.15 -2.67 -0.06 0.00 1.10 0.00 0.00 33.01 31.53 1o8t s GLN 5 CO -0.06 -0.21 0.78 0.37 -0.55 0.00 0.00 175.29 175.61 1o8t h GLN 6 N 2.68 -0.39 0.01 1.67 -0.00 -1.93 -3.37 115.11 113.78 1o8t h GLN 6 Ca -0.48 0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.19 1o8t h GLN 6 Cb 1.23 0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.79 1o8t h GLN 6 CO 0.63 -0.26 -0.00 -0.44 0.00 0.00 0.00 178.83 178.75 1o8t h ASP 7 N -0.59 -0.01 -3.41 -0.69 3.32 -2.02 -3.46 116.42 109.56 1o8t h ASP 7 Ca -0.04 -0.54 -0.40 0.00 0.02 0.00 0.00 57.03 56.06 1o8t h ASP 7 Cb 0.31 0.00 0.20 0.00 0.22 0.00 0.00 39.33 40.06 1o8t h ASP 7 CO 0.07 0.54 0.13 1.21 -1.72 0.00 0.00 179.24 179.47 1o8t n GLU 8 N -4.83 -3.09 -2.22 3.56 2.13 -1.26 -4.99 120.64 109.94 1o8t n GLU 8 Ca -0.09 -1.78 -0.38 0.00 0.66 0.00 0.00 57.16 55.57 1o8t n GLU 8 Cb 0.28 -1.64 -0.01 0.00 0.27 0.00 0.00 31.44 30.34 1o8t n GLU 8 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1o8t s MET 9 N -5.53 3.86 1.02 5.31 0.23 -1.26 -4.50 119.30 118.43 1o8t s MET 9 Ca 0.72 1.87 -0.16 0.00 -1.03 0.00 0.00 55.69 57.09 1o8t s MET 9 Cb -0.07 -2.54 0.21 0.00 -1.53 0.00 0.00 34.83 30.90 1o8t s MET 9 CO 0.55 -0.50 1.21 -1.25 -2.03 0.00 0.00 175.02 173.00 1o8t s PRO 10 N -2.51 0.24 0.25 3.16 0.04 -1.26 -3.33 135.00 131.59 1o8t s PRO 10 Ca 0.61 -0.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.23 1o8t s PRO 10 Cb -0.31 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1o8t s PRO 10 CO 0.38 -2.73 1.16 -1.54 0.04 0.00 0.00 177.00 174.32 1o8t s SER 11 N -4.37 7.15 0.87 6.66 1.04 -0.92 -4.54 113.70 119.58 1o8t s SER 11 Ca 0.70 2.30 -0.12 0.00 0.48 0.00 0.00 55.95 59.30 1o8t s SER 11 Cb -0.08 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.49 1o8t s SER 11 CO 0.54 -0.27 0.89 -2.65 0.98 0.00 0.00 173.24 172.72 1o8t n PRO 12 N 1.69 -0.13 -2.16 4.02 -0.02 -1.26 -4.83 135.00 132.30 1o8t n PRO 12 Ca 0.01 0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 1o8t n PRO 12 Cb 0.44 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1o8t n PRO 12 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1o8t s THR 13 N -2.33 3.61 0.00 3.45 -4.23 -1.26 -4.34 115.64 110.54 1o8t s THR 13 Ca 0.66 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1o8t s THR 13 Cb -0.26 -4.50 0.00 0.00 1.34 0.00 0.00 72.50 69.08 1o8t s THR 13 CO 0.58 -1.18 0.00 0.33 -0.54 0.00 0.00 174.62 173.81 1o8t n PHE 14 N 13.08 -0.01 -0.25 3.99 -0.00 -1.26 -4.85 117.46 128.17 1o8t n PHE 14 Ca 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.84 1o8t n PHE 14 Cb 0.47 0.01 0.13 0.00 -0.00 0.00 0.00 39.48 40.09 1o8t n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1o8t h LEU 15 N 0.00 0.99 0.22 -2.13 3.38 -1.97 -2.15 115.31 113.65 1o8t h LEU 15 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1o8t h LEU 15 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1o8t h LEU 15 CO 0.00 0.86 -0.20 0.71 0.09 0.00 0.00 178.44 179.90 1o8t h THR 16 N 1.07 0.57 0.02 0.22 1.35 -1.92 -3.04 112.91 111.17 1o8t h THR 16 Ca 0.25 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1o8t h THR 16 Cb 0.15 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1o8t h THR 16 CO -0.03 0.00 -0.01 -0.61 -0.25 0.00 0.00 175.52 174.62 1o8t h GLN 17 N -0.45 -0.03 -0.52 4.72 -0.00 -1.86 -3.25 115.11 113.73 1o8t h GLN 17 Ca -0.01 0.00 0.21 0.00 -0.00 0.00 0.00 58.65 58.85 1o8t h GLN 17 Cb 0.41 0.01 -0.09 0.00 0.00 0.00 0.00 27.48 27.80 1o8t h GLN 17 CO -0.03 -0.02 0.23 1.33 0.00 0.00 0.00 178.83 180.34 1o8t n VAL 18 N -2.08 -0.22 -0.21 2.39 0.24 -0.82 0.39 118.33 118.02 1o8t n VAL 18 Ca -0.00 1.08 0.01 0.00 -2.04 0.00 0.00 64.34 63.39 1o8t n VAL 18 Cb 0.01 -1.72 0.12 0.00 -1.47 0.00 0.00 33.84 30.78 1o8t n VAL 18 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1o8t h LYS 19 N 0.00 0.26 -0.12 7.34 3.11 -1.56 0.57 116.57 126.18 1o8t h LYS 19 Ca 0.42 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 58.20 1o8t h LYS 19 Cb 1.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.24 1o8t h LYS 19 CO -0.42 0.17 -0.14 0.93 -2.81 0.00 0.00 179.45 177.19 1o8t h GLU 20 N 0.27 0.19 -0.78 1.90 3.07 -0.22 -2.38 114.58 116.64 1o8t h GLU 20 Ca 0.33 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.11 1o8t h GLU 20 Cb 0.50 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 1o8t h GLU 20 CO -0.41 0.33 0.34 1.03 -1.40 0.00 0.00 179.01 178.89 1o8t h SER 21 N 0.18 1.04 -0.16 1.42 0.87 -0.92 -2.14 113.55 113.85 1o8t h SER 21 Ca 0.04 -0.14 -0.17 0.00 -1.23 0.00 0.00 61.79 60.28 1o8t h SER 21 Cb 0.36 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1o8t h SER 21 CO 0.02 0.91 -0.53 -0.07 -0.53 0.00 0.00 176.83 176.63 1o8t h LEU 22 N 1.12 0.83 0.46 2.23 3.38 -0.94 -2.39 115.31 119.99 1o8t h LEU 22 Ca 0.26 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1o8t h LEU 22 Cb 0.17 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1o8t h LEU 22 CO -0.03 1.20 -0.25 0.28 0.09 0.00 0.00 178.44 179.73 1o8t h SER 23 N 0.58 -0.62 0.36 -0.43 0.02 -1.15 -1.24 113.55 111.07 1o8t h SER 23 Ca 0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 23 Cb 1.11 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1o8t h SER 23 CO 0.11 -0.41 0.00 0.77 -1.14 0.00 0.00 176.83 176.16 1o8t h SER 24 N -0.66 0.00 0.13 3.07 4.64 -1.45 -2.31 113.55 116.97 1o8t h SER 24 Ca -0.06 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.97 1o8t h SER 24 Cb 0.53 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.64 1o8t h SER 24 CO 0.07 0.00 -1.20 0.22 -0.87 0.00 0.00 176.83 175.06 1o8t h TYR 25 N 0.00 0.99 -0.71 4.77 3.20 -0.77 -3.30 116.97 121.16 1o8t h TYR 25 Ca 0.00 -0.61 -0.06 0.00 3.14 0.00 0.00 58.73 61.21 1o8t h TYR 25 Cb 0.18 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1o8t h TYR 25 CO 0.00 1.45 0.22 -1.49 -1.64 0.00 0.00 178.16 176.70 1o8t h TRP 26 N 0.30 1.13 -0.90 -3.82 6.55 -0.68 0.37 115.95 118.89 1o8t h TRP 26 Ca -0.17 -0.11 0.08 0.00 0.95 0.00 0.00 58.89 59.64 1o8t h TRP 26 Cb 1.86 -0.33 -0.11 0.00 -0.86 0.00 0.00 29.16 29.72 1o8t h TRP 26 CO 0.11 0.89 -0.58 0.93 -1.05 0.00 0.00 178.44 178.74 1o8t h GLU 27 N 1.05 -0.06 -0.00 0.49 5.08 -1.60 0.15 114.58 119.68 1o8t h GLU 27 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1o8t h GLU 27 Cb 0.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1o8t h GLU 27 CO -0.01 -0.04 -0.40 0.43 -1.00 0.00 0.00 179.01 177.99 1o8t n SER 28 N -5.28 0.48 -0.22 1.42 7.64 -1.20 -4.06 113.62 112.40 1o8t n SER 28 Ca 0.01 -0.22 -0.00 0.00 1.01 0.00 0.00 58.87 59.67 1o8t n SER 28 Cb 0.28 0.13 0.22 0.00 -1.01 0.00 0.00 64.21 63.83 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 3.08 1.40 -0.09 -0.43 0.00 0.16 -2.95 119.26 120.42 1o8t h ALA 29 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1o8t h ALA 29 Cb 0.50 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1o8t h ALA 29 CO 0.00 0.52 -0.24 0.87 0.00 0.00 0.00 179.25 180.41 1o8t h LYS 30 N 1.02 -0.31 -1.03 0.00 6.56 -1.63 -0.41 116.57 120.77 1o8t h LYS 30 Ca 0.27 0.02 0.26 0.00 -1.06 0.00 0.00 60.65 60.14 1o8t h LYS 30 Cb -0.05 0.07 -0.11 0.00 -0.57 0.00 0.00 32.23 31.56 1o8t h LYS 30 CO -0.05 -0.21 0.63 1.15 -2.06 0.00 0.00 179.45 178.91 1o8t h THR 31 N -0.32 0.52 -0.63 -0.16 2.02 -1.78 0.39 112.91 112.95 1o8t h THR 31 Ca 0.09 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1o8t h THR 31 Cb 0.45 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1o8t h THR 31 CO -0.28 0.09 0.30 0.00 0.37 0.00 0.00 175.52 176.00 1o8t h ALA 32 N 1.69 0.81 -0.14 6.16 0.00 -1.08 -0.71 119.26 125.98 1o8t h ALA 32 Ca 0.63 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.44 1o8t h ALA 32 Cb 1.37 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1o8t h ALA 32 CO -0.40 0.38 -0.49 0.00 0.00 0.00 0.00 179.25 178.74 1o8t h ALA 33 N 1.13 -0.74 -0.44 0.00 0.00 0.48 0.60 119.26 120.28 1o8t h ALA 33 Ca 0.21 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1o8t h ALA 33 Cb 0.13 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1o8t h ALA 33 CO -0.03 -1.01 0.02 0.37 0.00 0.00 0.00 179.25 178.61 1o8t h GLN 34 N -0.54 0.71 0.00 0.00 4.15 -1.47 -1.89 115.11 116.06 1o8t h GLN 34 Ca 0.06 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 1o8t h GLN 34 Cb 0.66 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 1o8t h GLN 34 CO -0.43 0.71 -0.09 -0.97 -1.93 0.00 0.00 178.83 176.12 1o8t h ASN 35 N 0.67 0.00 -0.45 -0.69 -1.24 0.34 -1.56 115.58 112.65 1o8t h ASN 35 Ca 0.14 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.20 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 0.09 0.17 0.25 -1.29 0.00 0.00 177.43 176.66 1o8t h LEU 36 N 0.00 0.19 -1.11 0.34 6.46 0.99 0.16 115.31 122.34 1o8t h LEU 36 Ca -0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 1o8t h LEU 36 Cb 0.16 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1o8t h LEU 36 CO 0.01 0.14 0.14 1.88 -0.62 0.00 0.00 178.44 180.00 1o8t h TYR 37 N 0.34 0.79 0.72 1.25 -1.99 -1.34 -2.93 116.97 113.81 1o8t h TYR 37 Ca 0.21 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.85 1o8t h TYR 37 Cb 0.19 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 1o8t h TYR 37 CO -0.15 0.66 -0.47 1.49 -0.00 0.00 0.00 178.16 179.69 1o8t h GLU 38 N 0.75 -1.08 0.00 4.88 4.22 -0.19 -2.38 114.58 120.79 1o8t h GLU 38 Ca 0.17 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.68 1o8t h GLU 38 Cb 0.25 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1o8t h GLU 38 CO -0.01 -0.72 0.11 0.87 -2.18 0.00 0.00 179.01 177.09 1o8t h LYS 39 N -1.12 0.00 -0.15 1.92 1.57 -0.81 -1.84 116.57 116.14 1o8t h LYS 39 Ca -0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1o8t h LYS 39 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1o8t h LYS 39 CO 0.08 0.00 0.01 1.15 -0.57 0.00 0.00 179.45 180.12 1o8t h THR 40 N 0.00 1.24 -0.58 -0.16 2.02 -1.24 -3.13 112.91 111.06 1o8t h THR 40 Ca 0.00 -0.79 -0.09 0.00 0.77 0.00 0.00 66.41 66.30 1o8t h THR 40 Cb 0.23 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1o8t h THR 40 CO 0.00 0.23 0.02 1.88 0.37 0.00 0.00 175.52 178.03 1o8t h TYR 41 N 0.02 1.10 -4.04 3.16 0.05 -1.39 -3.44 116.97 112.43 1o8t h TYR 41 Ca 0.04 -0.18 -0.47 0.00 0.05 0.00 0.00 58.73 58.17 1o8t h TYR 41 Cb 0.35 -0.29 0.02 0.00 1.01 0.00 0.00 36.73 37.82 1o8t h TYR 41 CO 0.03 0.98 0.39 -0.51 -1.05 0.00 0.00 178.16 177.99 1o8t s LEU 42 N -9.38 3.94 -0.50 3.88 1.43 -1.18 -4.97 118.68 111.90 1o8t s LEU 42 Ca -0.12 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 1o8t s LEU 42 Cb 0.13 -4.45 0.22 0.00 0.03 0.00 0.00 46.19 42.12 1o8t s LEU 42 CO 0.84 -0.67 2.29 -0.81 0.23 0.00 0.00 176.35 178.24 1o8t n PRO 43 N -0.69 2.29 0.20 1.29 -0.04 -1.26 -4.63 135.00 132.17 1o8t n PRO 43 Ca 0.08 -2.40 0.14 0.00 -0.04 0.00 0.00 63.50 61.28 1o8t n PRO 43 Cb 0.52 -2.01 0.66 0.00 -0.04 0.00 0.00 33.50 32.64 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 2.30 1.00 -0.66 0.55 0.00 -1.93 -3.33 119.26 117.20 1o8t h ALA 44 Ca 0.42 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.39 1o8t h ALA 44 Cb 0.71 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1o8t h ALA 44 CO 1.04 0.00 -0.45 0.28 0.00 0.00 0.00 179.25 180.12 1o8t h VAL 45 N 0.00 0.00 -0.11 0.00 2.07 -1.92 0.26 116.25 116.55 1o8t h VAL 45 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1o8t h VAL 45 Cb 0.24 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1o8t h VAL 45 CO 0.00 0.00 -0.12 -0.78 0.02 0.00 0.00 177.57 176.69 1o8t h ASP 46 N -0.08 0.15 -0.50 0.57 3.58 -1.99 -2.68 116.42 115.47 1o8t h ASP 46 Ca 0.11 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.41 1o8t h ASP 46 Cb 0.36 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1o8t h ASP 46 CO -0.66 0.29 -0.16 -0.08 -2.88 0.00 0.00 179.24 175.76 1o8t h GLU 47 N 0.16 1.00 0.00 0.28 4.22 -1.09 -2.90 114.58 116.25 1o8t h GLU 47 Ca 0.03 -0.39 -0.00 0.00 0.08 0.00 0.00 59.36 59.08 1o8t h GLU 47 Cb 0.31 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1o8t h GLU 47 CO 0.02 1.07 -0.01 0.87 -2.18 0.00 0.00 179.01 178.78 1o8t h LYS 48 N 0.88 0.00 0.56 1.92 1.57 -0.25 0.11 116.57 121.37 1o8t h LYS 48 Ca 0.13 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1o8t h LYS 48 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.04 1o8t h LYS 48 CO 0.06 0.01 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.60 1o8t h LEU 49 N 0.00 -0.64 -1.95 2.94 3.38 -1.49 -2.47 115.31 115.07 1o8t h LEU 49 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1o8t h LEU 49 Cb 0.02 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1o8t h LEU 49 CO 0.00 -0.40 -0.11 0.03 0.09 0.00 0.00 178.44 178.05 1o8t h ARG 50 N -0.87 0.00 0.57 1.13 -0.00 -1.59 -2.84 114.38 110.78 1o8t h ARG 50 Ca -0.08 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.38 1o8t h ARG 50 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.53 1o8t h ARG 50 CO 0.13 0.11 -0.48 0.22 0.00 0.00 0.00 179.97 179.94 1o8t h ASP 51 N 0.00 -1.29 0.24 7.04 3.58 -0.62 -0.45 116.42 124.92 1o8t h ASP 51 Ca -0.00 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1o8t h ASP 51 Cb 0.23 0.41 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 1o8t h ASP 51 CO 0.01 -0.67 -0.09 -0.07 -2.88 0.00 0.00 179.24 175.54 1o8t h LEU 52 N -1.03 0.00 -0.03 2.28 4.07 -1.33 -2.56 115.31 116.71 1o8t h LEU 52 Ca -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1o8t h LEU 52 Cb 0.88 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.62 1o8t h LEU 52 CO -0.01 0.09 -0.01 0.22 -1.08 0.00 0.00 178.44 177.65 1o8t h TYR 53 N 0.00 0.06 -0.16 1.13 5.03 -1.15 0.33 116.97 122.21 1o8t h TYR 53 Ca -0.00 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1o8t h TYR 53 Cb 0.24 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1o8t h TYR 53 CO 0.00 0.41 0.09 1.03 -1.32 0.00 0.00 178.16 178.37 1o8t h SER 54 N -0.31 0.20 -0.71 -2.11 0.87 -0.83 -2.72 113.55 107.94 1o8t h SER 54 Ca 0.01 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1o8t h SER 54 Cb 0.39 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1o8t h SER 54 CO 0.00 0.20 0.37 0.11 -0.53 0.00 0.00 176.83 176.98 1o8t h LYS 55 N 0.18 1.00 0.00 2.24 1.57 -1.49 -2.35 116.57 117.72 1o8t h LYS 55 Ca 0.06 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1o8t h LYS 55 Cb 0.04 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1o8t h LYS 55 CO -0.01 0.77 0.00 0.77 -0.57 0.00 0.00 179.45 180.40 1o8t h SER 56 N 0.98 0.00 0.66 0.86 0.02 -0.68 -1.42 113.55 113.97 1o8t h SER 56 Ca 0.25 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1o8t h SER 56 Cb 0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1o8t h SER 56 CO -0.04 0.00 -0.39 0.74 -1.14 0.00 0.00 176.83 176.00 1o8t h THR 57 N 0.00 0.00 0.12 -2.27 2.02 -1.12 -2.04 112.91 109.62 1o8t h THR 57 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 1o8t h THR 57 Cb 0.12 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1o8t h THR 57 CO 0.00 0.00 -1.72 0.00 0.37 0.00 0.00 175.52 174.17 1o8t h ALA 58 N -1.36 0.29 0.85 6.16 0.00 -1.73 -3.26 119.26 120.22 1o8t h ALA 58 Ca -0.09 -1.25 -0.04 0.00 0.00 0.00 0.00 54.91 53.53 1o8t h ALA 58 Cb 0.78 0.61 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1o8t h ALA 58 CO 0.10 1.07 -0.41 0.00 0.00 0.00 0.00 179.25 180.01 1o8t h ALA 59 N -0.01 -1.18 -0.22 0.00 0.00 -1.39 -3.02 119.26 113.43 1o8t h ALA 59 Ca -0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1o8t h ALA 59 Cb 1.90 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 1o8t h ALA 59 CO 0.07 -1.10 0.05 1.98 0.00 0.00 0.00 179.25 180.25 1o8t h MET 60 N -1.27 0.32 0.00 0.00 4.05 -1.49 0.04 114.93 116.58 1o8t h MET 60 Ca -0.12 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1o8t h MET 60 Cb 0.88 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1o8t h MET 60 CO 0.19 0.30 0.00 0.66 0.23 0.00 0.00 176.91 178.30 1o8t h SER 61 N 0.32 0.00 0.00 1.39 4.64 -1.53 -0.30 113.55 118.07 1o8t h SER 61 Ca 0.08 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.98 1o8t h SER 61 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 1o8t h SER 61 CO -0.00 0.00 -2.37 0.41 -0.87 0.00 0.00 176.83 173.99 1o8t n THR 62 N -2.77 1.37 0.29 2.95 -1.04 -0.72 -4.44 114.28 109.93 1o8t n THR 62 Ca 0.00 -0.34 0.15 0.00 -2.04 0.00 0.00 64.05 61.82 1o8t n THR 62 Cb 0.21 -1.84 0.69 0.00 -1.82 0.00 0.00 70.33 67.57 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 -0.89 0.00 0.48 -1.42 0.05 -1.04 -0.99 116.97 113.16 1o8t h TYR 63 Ca -0.63 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.13 1o8t h TYR 63 Cb 1.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.29 1o8t h TYR 63 CO -0.08 0.00 -0.23 1.15 -1.05 0.00 0.00 178.16 177.94 1o8t h THR 64 N 0.00 0.00 -0.50 -2.88 2.02 -1.26 0.52 112.91 110.82 1o8t h THR 64 Ca 0.00 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 1o8t h THR 64 Cb 0.22 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 1o8t h THR 64 CO 0.00 0.00 0.05 1.23 0.37 0.00 0.00 175.52 177.17 1o8t h GLY 65 N -1.07 0.85 0.83 2.16 0.00 -1.75 -1.97 103.07 102.12 1o8t h GLY 65 Ca -0.07 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1o8t h GLY 65 CO 0.11 0.49 -0.31 -2.22 0.00 0.00 0.00 176.54 174.61 1o8t h ILE 66 N 0.75 0.24 -0.16 2.60 1.08 -1.23 0.10 117.51 120.90 1o8t h ILE 66 Ca 0.16 -0.24 0.05 0.00 -0.39 0.00 0.00 64.86 64.44 1o8t h ILE 66 Cb 0.38 0.31 -0.07 0.00 -3.07 0.00 0.00 36.82 34.37 1o8t h ILE 66 CO 0.01 0.02 -0.36 0.15 -0.69 0.00 0.00 178.15 177.28 1o8t h PHE 67 N -1.07 -1.03 0.00 1.37 3.57 0.10 0.34 116.94 120.23 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 0.71 0.47 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1o8t h PHE 67 CO -0.00 -0.43 -0.05 1.79 -2.23 0.00 0.00 178.31 177.38 1o8t h THR 68 N -0.42 0.27 0.54 4.41 1.35 -1.40 -2.82 112.91 114.84 1o8t h THR 68 Ca 0.10 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 1o8t h THR 68 Cb 0.58 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 1o8t h THR 68 CO -0.39 0.05 -0.40 -0.78 -0.25 0.00 0.00 175.52 173.75 1o8t h ASP 69 N 0.00 -1.04 0.68 5.36 1.82 0.14 0.31 116.42 123.70 1o8t h ASP 69 Ca -0.00 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1o8t h ASP 69 Cb 0.28 0.32 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1o8t h ASP 69 CO 0.01 -0.59 -0.30 1.56 -1.61 0.00 0.00 179.24 178.31 1o8t h GLN 70 N -0.92 0.00 0.30 0.28 1.08 -1.44 -1.57 115.11 112.84 1o8t h GLN 70 Ca -0.06 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1o8t h GLN 70 Cb 0.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1o8t h GLN 70 CO 0.02 0.30 -0.14 0.28 -0.95 0.00 0.00 178.83 178.34 1o8t h VAL 71 N 0.00 0.68 -0.74 -0.54 2.07 -1.21 -2.19 116.25 114.32 1o8t h VAL 71 Ca -0.00 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1o8t h VAL 71 Cb 0.72 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1o8t h VAL 71 CO 0.04 0.12 0.48 -0.07 0.02 0.00 0.00 177.57 178.17 1o8t h LEU 72 N -0.79 0.64 -1.12 2.57 3.38 -0.36 -0.16 115.31 119.47 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1o8t h LEU 72 Cb 0.51 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1o8t h LEU 72 CO 0.07 0.40 0.60 -1.28 0.09 0.00 0.00 178.44 178.32 1o8t h SER 73 N 0.72 0.95 1.13 -0.43 0.87 -1.09 0.11 113.55 115.81 1o8t h SER 73 Ca 0.33 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1o8t h SER 73 Cb 0.34 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1o8t h SER 73 CO -0.11 0.62 -0.00 0.58 -0.53 0.00 0.00 176.83 177.39 1o8t h VAL 74 N 1.08 0.01 -0.31 2.23 2.07 -0.38 -2.82 116.25 118.13 1o8t h VAL 74 Ca 0.38 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1o8t h VAL 74 Cb 0.13 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1o8t h VAL 74 CO -0.14 0.00 -0.05 0.25 0.02 0.00 0.00 177.57 177.66 1o8t h LEU 75 N 0.00 0.46 -0.06 2.57 5.85 -0.43 0.19 115.31 123.89 1o8t h LEU 75 Ca -0.00 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1o8t h LEU 75 Cb 0.57 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1o8t h LEU 75 CO 0.00 0.57 -0.11 0.11 -0.34 0.00 0.00 178.44 178.67 1o8t h LYS 76 N 0.46 0.18 0.00 1.25 1.79 -1.44 -2.90 116.57 115.92 1o8t h LYS 76 Ca 0.10 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1o8t h LYS 76 Cb 0.38 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1o8t h LYS 76 CO 0.02 0.69 0.00 0.41 -1.08 0.00 0.00 179.45 179.49 1o8t n GLY 77 N 0.41 0.33 0.20 3.86 0.00 -1.15 -4.63 105.19 104.21 1o8t n GLY 77 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1o8t n GLY 77 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1o8t h GLU 78 N 0.00 -0.41 0.00 1.61 4.22 -1.14 -3.51 114.58 115.35 1o8t h GLU 78 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1o8t h GLU 78 Cb 0.00 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1o8t h GLU 78 CO 0.00 -0.08 0.00 -1.91 -2.18 0.00 0.00 179.01 174.84