#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 -0.55 -4.91 -0.78 -0.00 -2.07 -3.40 115.11 103.40 1o8t h GLN 2 Ca 0.00 0.04 -0.65 0.00 -0.00 0.00 0.00 58.65 58.03 1o8t h GLN 2 Cb 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 27.48 27.43 1o8t h GLN 2 CO 0.00 -0.30 -0.39 -0.65 0.00 0.00 0.00 178.83 177.49 1o8t s GLN 3 N -5.56 3.72 0.00 1.69 -0.21 -1.26 -4.96 119.66 113.08 1o8t s GLN 3 Ca -0.16 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 54.85 1o8t s GLN 3 Cb 0.03 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.30 1o8t s GLN 3 CO 0.60 -0.37 0.71 -0.35 -2.12 0.00 0.00 175.29 173.75 1o8t n PRO 4 N 5.22 0.96 0.10 2.91 -0.04 -1.26 -4.14 135.00 138.75 1o8t n PRO 4 Ca -0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 1o8t n PRO 4 Cb 0.50 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 1o8t n PRO 4 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1o8t h GLN 5 N 0.02 -0.29 0.00 0.54 7.50 -1.93 -3.25 115.11 117.70 1o8t h GLN 5 Ca 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 1o8t h GLN 5 Cb 0.25 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.84 1o8t h GLN 5 CO 0.00 -0.19 -0.09 -0.56 -1.50 0.00 0.00 178.83 176.49 1o8t h GLN 6 N -0.66 0.00 -7.30 1.46 -0.00 -1.94 -3.45 115.11 103.22 1o8t h GLN 6 Ca -0.03 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.11 1o8t h GLN 6 Cb 0.23 0.00 0.12 0.00 -0.00 0.00 0.00 27.48 27.83 1o8t h GLN 6 CO 0.05 0.09 0.34 0.34 -0.00 0.00 0.00 178.83 179.65 1o8t s ASP 7 N -5.88 4.82 0.40 0.06 2.15 -1.24 -4.95 116.67 112.03 1o8t s ASP 7 Ca -0.01 1.79 0.20 0.00 0.43 0.00 0.00 52.55 54.96 1o8t s ASP 7 Cb 0.11 -2.52 0.83 0.00 -0.30 0.00 0.00 42.92 41.04 1o8t s ASP 7 CO 0.56 -1.82 1.81 1.05 -0.17 0.00 0.00 175.17 176.60 1o8t h GLU 8 N -0.85 0.00 -6.94 4.34 -0.00 -1.86 -3.45 114.58 105.82 1o8t h GLU 8 Ca -0.44 0.00 -0.51 0.00 -0.00 0.00 0.00 59.36 58.41 1o8t h GLU 8 Cb 1.23 0.00 0.06 0.00 -0.00 0.00 0.00 28.75 30.04 1o8t h GLU 8 CO 0.53 0.32 0.54 -1.64 -0.00 0.00 0.00 179.01 178.76 1o8t s MET 9 N -3.79 4.01 -0.15 1.06 -1.94 -1.26 -4.91 119.30 112.32 1o8t s MET 9 Ca -0.01 1.94 -0.33 0.00 -1.71 0.00 0.00 55.69 55.58 1o8t s MET 9 Cb 0.12 -2.70 -0.10 0.00 2.01 0.00 0.00 34.83 34.16 1o8t s MET 9 CO 0.67 -0.38 2.01 -2.30 -0.01 0.00 0.00 175.02 175.01 1o8t n PRO 10 N 0.08 1.99 -2.26 2.03 -0.02 -1.26 -4.72 135.00 130.84 1o8t n PRO 10 Ca 0.04 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 1o8t n PRO 10 Cb 0.46 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.16 1o8t n PRO 10 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1o8t s SER 11 N 5.50 6.36 0.00 2.55 0.15 -1.23 -4.88 113.70 122.15 1o8t s SER 11 Ca 0.97 1.17 0.27 0.00 0.70 0.00 0.00 55.95 59.06 1o8t s SER 11 Cb -0.64 -2.54 1.58 0.00 -1.71 0.00 0.00 66.02 62.72 1o8t s SER 11 CO 0.48 -1.35 2.02 -2.65 1.20 0.00 0.00 173.24 172.93 1o8t n PRO 12 N 7.85 1.00 -0.03 5.44 -0.02 -1.26 -3.68 135.00 144.30 1o8t n PRO 12 Ca 0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 1o8t n PRO 12 Cb 0.47 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.53 1o8t n PRO 12 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1o8t h THR 13 N 0.00 1.30 -0.41 3.45 1.35 -1.97 -2.12 112.91 114.51 1o8t h THR 13 Ca 0.00 -1.84 -0.11 0.00 -0.55 0.00 0.00 66.41 63.91 1o8t h THR 13 Cb 0.00 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1o8t h THR 13 CO 0.00 0.58 -0.16 -0.26 -0.25 0.00 0.00 175.52 175.43 1o8t h PHE 14 N 0.52 0.96 0.59 4.73 0.04 -2.00 -1.95 116.94 119.83 1o8t h PHE 14 Ca -0.00 -0.23 -0.03 0.00 2.80 0.00 0.00 57.97 60.51 1o8t h PHE 14 Cb 1.20 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 39.13 1o8t h PHE 14 CO 0.06 0.98 -0.29 1.25 -0.60 0.00 0.00 178.31 179.72 1o8t h LEU 15 N 0.66 -0.68 -2.40 1.54 6.46 -1.75 -2.77 115.31 116.37 1o8t h LEU 15 Ca 0.10 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1o8t h LEU 15 Cb 0.71 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1o8t h LEU 15 CO 0.05 -0.40 0.13 0.00 -0.62 0.00 0.00 178.44 177.60 1o8t h THR 16 N -0.93 0.36 -0.27 1.05 1.03 -1.42 -1.53 112.91 111.20 1o8t h THR 16 Ca -0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.30 1o8t h THR 16 Cb 0.65 0.89 -0.01 0.00 -1.07 0.00 0.00 68.15 68.61 1o8t h THR 16 CO 0.13 0.00 0.07 1.56 -0.01 0.00 0.00 175.52 177.27 1o8t h GLN 17 N 0.00 0.39 -0.51 0.00 4.20 -1.05 -3.21 115.11 114.93 1o8t h GLN 17 Ca 0.04 -0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.85 1o8t h GLN 17 Cb 0.30 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 27.91 1o8t h GLN 17 CO -0.00 0.36 0.05 1.55 -0.67 0.00 0.00 178.83 180.12 1o8t n VAL 18 N -4.39 -0.21 -0.13 -0.54 3.14 -0.58 0.38 118.33 116.00 1o8t n VAL 18 Ca 0.01 1.10 -0.04 0.00 -2.96 0.00 0.00 64.34 62.45 1o8t n VAL 18 Cb 0.16 -1.64 0.02 0.00 -1.06 0.00 0.00 33.84 31.32 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1o8t h LYS 19 N 0.00 0.00 -0.09 1.45 1.79 -1.81 0.32 116.57 118.24 1o8t h LYS 19 Ca 0.33 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.75 1o8t h LYS 19 Cb 0.72 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1o8t h LYS 19 CO -0.46 0.00 -0.16 0.93 -1.08 0.00 0.00 179.45 178.68 1o8t h GLU 20 N 0.00 0.13 -0.45 3.15 3.07 -0.34 -2.21 114.58 117.94 1o8t h GLU 20 Ca 0.20 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1o8t h GLU 20 Cb 0.31 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1o8t h GLU 20 CO -0.43 0.30 0.13 1.03 -1.40 0.00 0.00 179.01 178.64 1o8t h SER 21 N 0.13 0.61 -0.16 1.42 0.87 -0.77 -2.59 113.55 113.06 1o8t h SER 21 Ca 0.03 -0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1o8t h SER 21 Cb 0.37 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1o8t h SER 21 CO 0.02 0.59 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.33 1o8t h LEU 22 N 0.65 0.82 0.41 2.23 4.07 -0.71 -2.37 115.31 120.40 1o8t h LEU 22 Ca 0.15 -0.42 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 1o8t h LEU 22 Cb 0.22 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 1o8t h LEU 22 CO -0.01 1.18 -0.24 0.28 -1.08 0.00 0.00 178.44 178.58 1o8t h SER 23 N 0.58 -0.60 0.37 -0.43 0.02 -1.29 -1.29 113.55 110.91 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 1.09 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1o8t h SER 23 CO 0.11 -0.39 0.00 0.77 -1.14 0.00 0.00 176.83 176.18 1o8t h SER 24 N -0.62 0.00 0.00 3.07 4.64 -1.53 -2.51 113.55 116.60 1o8t h SER 24 Ca -0.05 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 1o8t h SER 24 Cb 0.50 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1o8t h SER 24 CO 0.06 0.00 -0.77 0.22 -0.87 0.00 0.00 176.83 175.47 1o8t h TYR 25 N 0.00 0.77 -0.51 4.77 5.03 -0.73 -3.28 116.97 123.02 1o8t h TYR 25 Ca 0.00 -0.42 -0.05 0.00 2.58 0.00 0.00 58.73 60.84 1o8t h TYR 25 Cb 0.19 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.36 1o8t h TYR 25 CO 0.00 1.25 0.10 2.35 -1.32 0.00 0.00 178.16 180.54 1o8t h TRP 26 N 0.07 0.81 -0.92 -3.82 7.01 -0.83 0.13 115.95 118.41 1o8t h TRP 26 Ca -0.10 -0.08 0.10 0.00 2.11 0.00 0.00 58.89 60.92 1o8t h TRP 26 Cb 1.46 -0.24 -0.12 0.00 -2.10 0.00 0.00 29.16 28.16 1o8t h TRP 26 CO 0.13 0.70 -0.55 1.49 -2.79 0.00 0.00 178.44 177.42 1o8t h GLU 27 N 0.76 -0.05 0.00 2.65 4.22 -1.58 0.16 114.58 120.73 1o8t h GLU 27 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1o8t h GLU 27 Cb 0.31 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1o8t h GLU 27 CO 0.00 -0.03 -0.57 0.66 -2.18 0.00 0.00 179.01 176.89 1o8t h SER 28 N -0.05 0.00 -0.75 1.04 4.64 -1.68 -3.35 113.55 113.40 1o8t h SER 28 Ca 0.18 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1o8t h SER 28 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1o8t h SER 28 CO -0.90 0.08 0.46 0.00 -0.87 0.00 0.00 176.83 175.60 1o8t h ALA 29 N 2.45 1.39 0.33 5.18 0.00 0.14 -3.06 119.26 125.69 1o8t h ALA 29 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1o8t h ALA 29 Cb 0.78 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1o8t h ALA 29 CO 0.00 0.53 -0.51 -0.22 0.00 0.00 0.00 179.25 179.05 1o8t h LYS 30 N 1.04 -0.86 -1.06 0.00 3.64 -1.45 -0.78 116.57 117.11 1o8t h LYS 30 Ca 0.27 0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.99 1o8t h LYS 30 Cb -0.05 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 31.86 1o8t h LYS 30 CO -0.05 -0.57 0.68 1.79 -2.27 0.00 0.00 179.45 179.02 1o8t h THR 31 N -0.89 0.49 -0.50 1.00 1.35 -1.78 0.50 112.91 113.08 1o8t h THR 31 Ca -0.03 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.68 1o8t h THR 31 Cb 0.82 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 1o8t h THR 31 CO -0.16 0.07 0.24 0.00 -0.25 0.00 0.00 175.52 175.42 1o8t h ALA 32 N 1.63 0.64 -0.36 6.62 0.00 -1.10 -0.61 119.26 126.07 1o8t h ALA 32 Ca 0.61 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1o8t h ALA 32 Cb 1.57 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1o8t h ALA 32 CO -0.31 0.21 -0.30 0.00 0.00 0.00 0.00 179.25 178.85 1o8t h ALA 33 N 1.08 -0.15 -0.56 0.00 0.00 0.13 0.45 119.26 120.22 1o8t h ALA 33 Ca 0.17 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1o8t h ALA 33 Cb 0.12 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1o8t h ALA 33 CO -0.02 -0.70 0.09 1.96 0.00 0.00 0.00 179.25 180.58 1o8t h GLN 34 N -0.25 0.89 0.00 0.00 4.20 -1.36 -1.89 115.11 116.70 1o8t h GLN 34 Ca 0.17 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1o8t h GLN 34 Cb 0.52 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1o8t h GLN 34 CO -0.50 0.83 -0.08 -0.97 -0.67 0.00 0.00 178.83 177.44 1o8t h ASN 35 N 0.84 0.00 -0.33 1.46 -0.73 0.68 -1.53 115.58 115.98 1o8t h ASN 35 Ca 0.17 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.39 1o8t h ASN 35 Cb 0.37 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.92 1o8t h ASN 35 CO 0.01 0.08 0.06 0.25 -0.37 0.00 0.00 177.43 177.46 1o8t h LEU 36 N 0.00 0.01 -1.14 0.34 5.85 0.66 0.13 115.31 121.16 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1o8t h LEU 36 Cb 0.15 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1o8t h LEU 36 CO 0.01 0.04 0.10 1.88 -0.34 0.00 0.00 178.44 180.13 1o8t h TYR 37 N 0.18 0.73 0.57 1.25 0.05 -1.33 -2.66 116.97 115.76 1o8t h TYR 37 Ca 0.15 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 1o8t h TYR 37 Cb 0.17 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 1o8t h TYR 37 CO -0.18 0.63 -0.37 1.49 -1.05 0.00 0.00 178.16 178.68 1o8t h GLU 38 N 0.69 -0.86 0.00 4.88 4.22 -0.19 -2.57 114.58 120.76 1o8t h GLU 38 Ca 0.15 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.65 1o8t h GLU 38 Cb 0.27 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1o8t h GLU 38 CO -0.00 -0.57 0.00 0.36 -2.18 0.00 0.00 179.01 176.62 1o8t n LYS 39 N -4.70 0.02 0.12 1.92 -0.00 0.17 -2.71 118.16 112.99 1o8t n LYS 39 Ca -0.11 0.36 -0.14 0.00 -0.00 0.00 0.00 58.31 58.43 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 0.86 -0.26 0.58 2.02 -1.09 -3.19 112.91 111.84 1o8t h THR 40 Ca 0.00 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1o8t h THR 40 Cb 0.06 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1o8t h THR 40 CO 0.00 0.09 0.01 0.22 0.37 0.00 0.00 175.52 176.21 1o8t h TYR 41 N -0.47 0.50 -3.93 3.16 3.20 -1.61 -3.44 116.97 114.38 1o8t h TYR 41 Ca -0.03 -0.08 -0.53 0.00 3.14 0.00 0.00 58.73 61.23 1o8t h TYR 41 Cb 0.35 -0.13 0.09 0.00 1.54 0.00 0.00 36.73 38.58 1o8t h TYR 41 CO -0.01 0.60 0.65 -0.51 -1.64 0.00 0.00 178.16 177.26 1o8t s LEU 42 N -9.51 4.28 -0.17 2.82 1.02 -1.21 -4.93 118.68 110.98 1o8t s LEU 42 Ca -0.14 2.75 0.06 0.00 0.02 0.00 0.00 54.13 56.82 1o8t s LEU 42 Cb 0.08 -3.80 0.42 0.00 0.02 0.00 0.00 46.19 42.91 1o8t s LEU 42 CO 0.75 -0.80 1.30 -0.81 0.02 0.00 0.00 176.35 176.80 1o8t n PRO 43 N 0.33 2.64 0.20 1.29 -0.04 -1.26 -4.38 135.00 133.78 1o8t n PRO 43 Ca 0.02 -1.70 0.14 0.00 -0.04 0.00 0.00 63.50 61.93 1o8t n PRO 43 Cb 0.42 -1.83 0.67 0.00 -0.04 0.00 0.00 33.50 32.72 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 2.53 1.00 -0.72 0.55 0.00 -1.92 -3.22 119.26 117.49 1o8t h ALA 44 Ca 0.12 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1o8t h ALA 44 Cb 1.56 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.23 1o8t h ALA 44 CO 0.39 0.00 0.05 -0.39 0.00 0.00 0.00 179.25 179.30 1o8t h VAL 45 N 0.00 0.42 -0.06 0.00 -1.51 -1.87 0.28 116.25 113.50 1o8t h VAL 45 Ca 0.00 -0.05 -0.16 0.00 -1.23 0.00 0.00 66.70 65.26 1o8t h VAL 45 Cb 0.24 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 29.64 1o8t h VAL 45 CO 0.00 0.03 -0.65 -0.78 -1.23 0.00 0.00 177.57 174.94 1o8t h ASP 46 N 0.15 0.30 -0.04 4.19 3.58 -1.95 -3.22 116.42 119.42 1o8t h ASP 46 Ca 0.40 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1o8t h ASP 46 Cb 0.68 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 1o8t h ASP 46 CO -0.59 0.87 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.54 1o8t h GLU 47 N 0.19 0.08 -0.30 0.28 4.22 -1.11 -2.99 114.58 114.95 1o8t h GLU 47 Ca -0.01 -0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.48 1o8t h GLU 47 Cb 1.18 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1o8t h GLU 47 CO 0.10 0.44 0.35 0.87 -2.18 0.00 0.00 179.01 178.58 1o8t h LYS 48 N -0.27 0.00 0.39 1.92 1.79 -0.61 0.18 116.57 119.97 1o8t h LYS 48 Ca 0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1o8t h LYS 48 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1o8t h LYS 48 CO 0.00 0.00 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.11 1o8t h LEU 49 N 0.00 -0.45 -1.60 2.94 -0.00 -1.53 -1.06 115.31 113.62 1o8t h LEU 49 Ca 0.14 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 58.00 1o8t h LEU 49 Cb 0.84 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.60 1o8t h LEU 49 CO -0.00 -0.28 -0.09 0.03 -0.00 0.00 0.00 178.44 178.09 1o8t h ARG 50 N -0.61 0.14 0.41 1.13 2.47 -1.54 -2.00 114.38 114.38 1o8t h ARG 50 Ca -0.05 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1o8t h ARG 50 Cb 0.41 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1o8t h ARG 50 CO 0.09 0.25 -0.38 0.22 0.56 0.00 0.00 179.97 180.70 1o8t h ASP 51 N 0.14 -1.03 0.72 7.04 1.82 -0.57 -0.92 116.42 123.62 1o8t h ASP 51 Ca 0.03 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.72 1o8t h ASP 51 Cb 0.26 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1o8t h ASP 51 CO 0.01 -0.54 -0.18 -0.07 -1.61 0.00 0.00 179.24 176.86 1o8t h LEU 52 N -0.80 0.00 -0.33 2.28 3.38 -1.05 -3.00 115.31 115.78 1o8t h LEU 52 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1o8t h LEU 52 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1o8t h LEU 52 CO -0.05 0.18 -0.09 1.88 0.09 0.00 0.00 178.44 180.45 1o8t h TYR 53 N 0.00 0.73 -0.16 1.13 0.05 -0.77 -0.90 116.97 117.05 1o8t h TYR 53 Ca -0.00 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.62 1o8t h TYR 53 Cb 0.59 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1o8t h TYR 53 CO 0.00 0.82 0.09 0.77 -1.05 0.00 0.00 178.16 178.79 1o8t h SER 54 N 0.43 0.19 -0.40 3.88 0.02 -1.05 -2.25 113.55 114.37 1o8t h SER 54 Ca 0.08 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1o8t h SER 54 Cb 0.59 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1o8t h SER 54 CO 0.03 0.19 0.21 0.50 -1.14 0.00 0.00 176.83 176.63 1o8t h LYS 55 N 0.17 0.56 0.00 3.45 1.63 -1.53 -2.36 116.57 118.50 1o8t h LYS 55 Ca 0.06 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1o8t h LYS 55 Cb 0.04 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1o8t h LYS 55 CO -0.01 0.47 0.00 0.77 -3.45 0.00 0.00 179.45 177.23 1o8t h SER 56 N 0.51 0.00 0.45 4.20 0.02 -0.98 -1.99 113.55 115.77 1o8t h SER 56 Ca 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1o8t h SER 56 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1o8t h SER 56 CO -0.02 0.00 -0.30 0.74 -1.14 0.00 0.00 176.83 176.11 1o8t h THR 57 N 0.00 0.38 0.12 -2.27 2.02 -0.84 -1.02 112.91 111.30 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 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1o8t h THR 57 CO 0.00 0.00 -1.73 0.00 0.37 0.00 0.00 175.52 174.16 1o8t h ALA 58 N -0.25 0.30 0.81 6.16 0.00 -1.70 -3.28 119.26 121.30 1o8t h ALA 58 Ca -0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 54.91 53.57 1o8t h ALA 58 Cb 0.61 0.61 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1o8t h ALA 58 CO 0.03 1.08 -0.39 0.00 0.00 0.00 0.00 179.25 179.97 1o8t h ALA 59 N -0.01 -1.17 0.00 0.00 0.00 -1.46 -3.00 119.26 113.63 1o8t h ALA 59 Ca -0.37 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1o8t h ALA 59 Cb 1.91 0.42 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1o8t h ALA 59 CO 0.07 -1.09 0.00 1.98 0.00 0.00 0.00 179.25 180.21 1o8t h MET 60 N -1.21 0.00 0.00 0.00 4.05 -1.37 -2.12 114.93 114.28 1o8t h MET 60 Ca -0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1o8t h MET 60 Cb 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1o8t h MET 60 CO 0.18 0.00 0.00 1.03 0.23 0.00 0.00 176.91 178.35 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.56 0.17 113.55 114.42 1o8t h SER 61 Ca 0.00 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.14 1o8t h SER 61 Cb 0.09 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 1o8t h SER 61 CO 0.00 0.00 -2.33 0.35 -0.53 0.00 0.00 176.83 174.32 1o8t n THR 62 N -2.61 1.53 0.29 2.23 -2.24 -0.80 -4.17 114.28 108.51 1o8t n THR 62 Ca 0.00 -0.32 0.18 0.00 -2.27 0.00 0.00 64.05 61.64 1o8t n THR 62 Cb 0.20 -1.92 0.89 0.00 -2.10 0.00 0.00 70.33 67.40 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 -1.00 0.00 0.49 4.78 0.05 -1.56 -0.31 116.97 119.42 1o8t h TYR 63 Ca -0.64 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.12 1o8t h TYR 63 Cb 1.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.30 1o8t h TYR 63 CO -0.07 0.04 -0.24 1.15 -1.05 0.00 0.00 178.16 177.99 1o8t h THR 64 N 0.00 0.13 -0.73 -2.88 2.02 -1.16 0.58 112.91 110.87 1o8t h THR 64 Ca -0.00 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1o8t h THR 64 Cb 0.28 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1o8t h THR 64 CO 0.00 0.03 0.30 1.23 0.37 0.00 0.00 175.52 177.45 1o8t h GLY 65 N -1.13 1.16 0.83 2.16 0.00 -1.70 -0.86 103.07 103.54 1o8t h GLY 65 Ca -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 1o8t h GLY 65 CO 0.11 0.58 -0.38 -2.22 0.00 0.00 0.00 176.54 174.63 1o8t h ILE 66 N 1.06 0.06 -0.17 2.60 1.08 -1.09 0.98 117.51 122.04 1o8t h ILE 66 Ca 0.25 -0.20 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 1o8t h ILE 66 Cb 0.19 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 33.94 1o8t h ILE 66 CO -0.02 0.01 -0.36 0.15 -0.69 0.00 0.00 178.15 177.24 1o8t h PHE 67 N -1.25 -1.01 0.00 1.37 3.57 0.23 0.34 116.94 120.19 1o8t h PHE 67 Ca -0.11 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1o8t h PHE 67 Cb 0.82 0.47 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 1o8t h PHE 67 CO -0.00 -0.43 -0.01 1.15 -2.23 0.00 0.00 178.31 176.79 1o8t h THR 68 N -0.41 0.06 0.38 4.41 2.02 -1.20 -2.98 112.91 115.19 1o8t h THR 68 Ca 0.10 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1o8t h THR 68 Cb 0.58 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1o8t h THR 68 CO -0.39 0.01 -0.32 -0.78 0.37 0.00 0.00 175.52 174.41 1o8t h ASP 69 N 0.00 -0.84 0.75 4.18 1.82 0.14 0.14 116.42 122.61 1o8t h ASP 69 Ca -0.00 0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1o8t h ASP 69 Cb 0.24 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1o8t h ASP 69 CO 0.00 -0.47 -0.24 1.56 -1.61 0.00 0.00 179.24 178.48 1o8t h GLN 70 N -0.70 0.00 0.21 0.28 4.20 -1.47 -2.21 115.11 115.42 1o8t h GLN 70 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1o8t h GLN 70 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1o8t h GLN 70 CO -0.02 0.24 -0.10 0.28 -0.67 0.00 0.00 178.83 178.56 1o8t h VAL 71 N 0.00 0.87 -0.68 -0.54 2.07 -1.28 -2.21 116.25 114.48 1o8t h VAL 71 Ca -0.00 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1o8t h VAL 71 Cb 0.68 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1o8t h VAL 71 CO 0.03 0.16 0.45 -0.07 0.02 0.00 0.00 177.57 178.15 1o8t h LEU 72 N -0.67 0.55 -0.88 2.57 4.07 -0.69 -0.76 115.31 119.50 1o8t h LEU 72 Ca -0.03 0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.99 1o8t h LEU 72 Cb 0.47 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.05 1o8t h LEU 72 CO 0.05 0.34 0.56 -1.28 -1.08 0.00 0.00 178.44 177.03 1o8t h SER 73 N 0.62 0.90 0.97 -0.43 0.87 -1.11 -0.13 113.55 115.23 1o8t h SER 73 Ca 0.30 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1o8t h SER 73 Cb 0.38 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1o8t h SER 73 CO -0.10 0.59 0.00 -0.37 -0.53 0.00 0.00 176.83 176.43 1o8t h VAL 74 N 1.04 0.00 -0.64 2.23 -1.51 -0.52 -2.88 116.25 113.97 1o8t h VAL 74 Ca 0.37 -0.40 -0.07 0.00 -1.23 0.00 0.00 66.70 65.38 1o8t h VAL 74 Cb 0.10 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 30.50 1o8t h VAL 74 CO -0.15 0.00 0.14 0.25 -1.23 0.00 0.00 177.57 176.58 1o8t h LEU 75 N 0.00 0.97 -0.05 4.19 7.12 -0.75 -0.10 115.31 126.69 1o8t h LEU 75 Ca 0.00 -0.20 -0.03 0.00 0.13 0.00 0.00 57.88 57.78 1o8t h LEU 75 Cb 0.48 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1o8t h LEU 75 CO 0.00 0.94 -0.09 0.11 -0.13 0.00 0.00 178.44 179.27 1o8t h LYS 76 N 0.97 0.15 0.51 1.25 6.56 -1.49 -3.33 116.57 121.18 1o8t h LYS 76 Ca 0.20 -0.09 -0.02 0.00 -1.06 0.00 0.00 60.65 59.68 1o8t h LYS 76 Cb 0.37 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1o8t h LYS 76 CO 0.00 0.66 -0.34 0.78 -2.06 0.00 0.00 179.45 178.50 1o8t h GLY 77 N -0.35 -0.88 0.00 3.86 0.00 -1.52 -3.45 103.07 100.72 1o8t h GLY 77 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1o8t h GLY 77 CO 0.02 -0.32 0.00 1.18 0.00 0.00 0.00 176.54 177.42 1o8t n GLU 78 N -5.47 0.00 0.00 4.80 1.02 -0.60 -5.13 120.64 115.26 1o8t n GLU 78 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1o8t n GLU 78 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40