#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t n GLN 2 N 0.00 3.91 0.12 -0.78 6.02 -1.26 -4.31 117.38 121.08 1o8t n GLN 2 Ca 0.00 -3.79 0.00 0.00 -0.01 0.00 0.00 57.00 53.20 1o8t n GLN 2 Cb 0.00 -2.80 0.00 0.00 1.02 0.00 0.00 30.24 28.46 1o8t n GLN 2 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1o8t n GLN 3 N 3.08 0.00 -2.33 -1.09 6.02 -1.26 -5.06 117.38 116.73 1o8t n GLN 3 Ca 0.37 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 57.02 1o8t n GLN 3 Cb 0.35 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.57 1o8t n GLN 3 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1o8t s PRO 4 N -1.68 3.15 -0.04 -1.09 0.04 -1.26 -4.83 135.00 129.29 1o8t s PRO 4 Ca 0.00 -0.83 -0.13 0.00 0.04 0.00 0.00 61.00 60.08 1o8t s PRO 4 Cb 0.00 -5.24 -0.07 0.00 0.04 0.00 0.00 34.50 29.22 1o8t s PRO 4 CO 0.00 -2.76 0.57 0.37 0.04 0.00 0.00 177.00 175.22 1o8t h GLN 5 N 10.30 -0.46 -7.31 4.56 -0.00 -1.97 -3.46 115.11 116.77 1o8t h GLN 5 Ca 0.17 0.03 -0.50 0.00 -0.00 0.00 0.00 58.65 58.36 1o8t h GLN 5 Cb 1.00 0.10 0.15 0.00 0.00 0.00 0.00 27.48 28.74 1o8t h GLN 5 CO 1.33 -0.30 0.25 -1.14 0.00 0.00 0.00 178.83 178.97 1o8t s GLN 6 N -3.10 1.40 0.58 1.69 2.00 -1.26 -5.00 119.66 115.96 1o8t s GLN 6 Ca -0.07 1.04 -0.18 0.00 -2.00 0.00 0.00 55.36 54.16 1o8t s GLN 6 Cb 0.01 -1.81 -0.04 0.00 0.80 0.00 0.00 33.01 31.97 1o8t s GLN 6 CO 0.21 -2.20 1.10 0.16 -0.50 0.00 0.00 175.29 174.05 1o8t s ASP 7 N -3.24 5.63 -0.50 6.67 -4.77 -1.26 -4.94 116.67 114.26 1o8t s ASP 7 Ca 0.63 2.03 -0.27 0.00 -3.30 0.00 0.00 52.55 51.64 1o8t s ASP 7 Cb -0.19 -2.56 -0.01 0.00 -1.09 0.00 0.00 42.92 39.07 1o8t s ASP 7 CO 0.57 -1.28 1.76 -0.70 0.70 0.00 0.00 175.17 176.22 1o8t s GLU 8 N -3.65 3.00 -0.02 2.11 -6.30 -1.26 -4.95 118.70 107.63 1o8t s GLU 8 Ca 0.69 0.88 -0.30 0.00 -2.50 0.00 0.00 54.97 53.74 1o8t s GLU 8 Cb -0.21 -4.27 -0.06 0.00 0.00 0.00 0.00 34.13 29.60 1o8t s GLU 8 CO 0.32 -2.27 1.50 -1.64 0.02 0.00 0.00 175.26 173.19 1o8t s MET 9 N 6.27 4.23 -0.09 4.30 -1.94 -1.26 -4.95 119.30 125.86 1o8t s MET 9 Ca 0.69 2.06 -0.29 0.00 -1.71 0.00 0.00 55.69 56.44 1o8t s MET 9 Cb -0.16 -3.71 -0.06 0.00 2.01 0.00 0.00 34.83 32.91 1o8t s MET 9 CO 0.26 -0.69 1.80 -1.25 -0.01 0.00 0.00 175.02 175.13 1o8t s PRO 10 N 3.01 3.94 0.09 2.03 0.04 -1.26 -4.97 135.00 137.89 1o8t s PRO 10 Ca 0.67 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 63.55 1o8t s PRO 10 Cb -0.32 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.06 1o8t s PRO 10 CO 0.27 -1.15 1.24 -1.12 0.04 0.00 0.00 177.00 176.28 1o8t s SER 11 N 4.49 7.02 0.68 6.66 0.01 -1.26 -5.02 113.70 126.29 1o8t s SER 11 Ca 0.80 2.12 -0.13 0.00 1.31 0.00 0.00 55.95 60.05 1o8t s SER 11 Cb -0.34 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.32 1o8t s SER 11 CO 0.33 -0.49 1.09 -2.16 0.41 0.00 0.00 173.24 172.42 1o8t s PRO 12 N 0.86 2.77 -0.33 12.44 0.04 -1.26 -4.96 135.00 144.56 1o8t s PRO 12 Ca 0.59 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 1o8t s PRO 12 Cb -0.32 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1o8t s PRO 12 CO 0.31 -1.25 1.55 0.95 0.04 0.00 0.00 177.00 178.59 1o8t s THR 13 N -2.63 3.77 0.07 1.26 -4.23 -1.26 -4.75 115.64 107.87 1o8t s THR 13 Ca 0.63 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 1o8t s THR 13 Cb -0.18 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.74 1o8t s THR 13 CO 0.47 -0.51 0.00 0.49 -0.54 0.00 0.00 174.62 174.53 1o8t n PHE 14 N 8.94 -0.49 0.22 3.99 3.01 -1.26 -4.81 117.46 127.06 1o8t n PHE 14 Ca 0.19 0.09 0.06 0.00 1.01 0.00 0.00 57.45 58.79 1o8t n PHE 14 Cb 0.47 0.28 0.54 0.00 -0.01 0.00 0.00 39.48 40.75 1o8t n PHE 14 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1o8t h LEU 15 N 0.00 0.03 -0.21 4.37 4.07 -2.01 -2.78 115.31 118.77 1o8t h LEU 15 Ca 0.00 -0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1o8t h LEU 15 Cb 0.31 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1o8t h LEU 15 CO 0.00 0.14 0.04 0.74 -1.08 0.00 0.00 178.44 178.28 1o8t h THR 16 N 0.03 0.91 0.35 0.22 2.02 -1.95 -3.01 112.91 111.48 1o8t h THR 16 Ca 0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1o8t h THR 16 Cb 0.21 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1o8t h THR 16 CO 0.01 0.02 -0.17 -0.61 0.37 0.00 0.00 175.52 175.15 1o8t h GLN 17 N 0.13 -0.45 -0.51 6.66 -0.00 -1.81 -3.21 115.11 115.91 1o8t h GLN 17 Ca 0.09 0.03 0.09 0.00 -0.00 0.00 0.00 58.65 58.87 1o8t h GLN 17 Cb 0.09 0.10 -0.09 0.00 0.00 0.00 0.00 27.48 27.58 1o8t h GLN 17 CO -0.12 -0.24 -0.16 0.28 0.00 0.00 0.00 178.83 178.59 1o8t n VAL 18 N -5.25 -0.24 0.02 2.39 0.31 -1.13 0.00 118.33 114.44 1o8t n VAL 18 Ca -0.10 1.17 -0.11 0.00 -0.01 0.00 0.00 64.34 65.29 1o8t n VAL 18 Cb 0.23 -1.59 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.43 0.00 5.55 6.56 -1.55 -0.53 116.57 126.16 1o8t h LYS 19 Ca 0.21 0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.79 1o8t h LYS 19 Cb 0.34 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 1o8t h LYS 19 CO -0.51 -0.29 -0.19 1.49 -2.06 0.00 0.00 179.45 177.89 1o8t h GLU 20 N -0.45 0.00 -0.41 3.15 4.22 -0.57 -2.06 114.58 118.46 1o8t h GLU 20 Ca 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 1o8t h GLU 20 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1o8t h GLU 20 CO -0.34 0.19 0.18 1.03 -2.18 0.00 0.00 179.01 177.90 1o8t h SER 21 N 0.00 0.56 0.21 1.04 0.87 0.14 -2.25 113.55 114.12 1o8t h SER 21 Ca -0.00 -0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.27 1o8t h SER 21 Cb 0.35 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1o8t h SER 21 CO 0.02 0.55 -0.54 0.25 -0.53 0.00 0.00 176.83 176.59 1o8t h LEU 22 N 0.52 0.39 0.46 2.23 5.85 -0.79 -2.79 115.31 121.19 1o8t h LEU 22 Ca 0.14 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1o8t h LEU 22 Cb 0.16 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1o8t h LEU 22 CO -0.01 0.86 -0.26 0.28 -0.34 0.00 0.00 178.44 178.96 1o8t h SER 23 N 0.28 -0.65 0.36 1.25 0.02 -1.11 -0.17 113.55 113.53 1o8t h SER 23 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1o8t h SER 23 Cb 1.03 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1o8t h SER 23 CO 0.09 -0.42 0.00 0.28 -1.14 0.00 0.00 176.83 175.64 1o8t h SER 24 N -0.68 0.00 0.30 3.07 0.02 -1.45 -2.28 113.55 112.52 1o8t h SER 24 Ca -0.06 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.56 1o8t h SER 24 Cb 0.55 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.12 1o8t h SER 24 CO 0.07 0.00 -1.47 0.22 -1.14 0.00 0.00 176.83 174.51 1o8t h TYR 25 N 0.00 0.95 -0.74 3.45 3.20 -1.02 -3.32 116.97 119.48 1o8t h TYR 25 Ca 0.00 -0.69 -0.06 0.00 3.14 0.00 0.00 58.73 61.12 1o8t h TYR 25 Cb 0.18 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1o8t h TYR 25 CO 0.00 1.54 0.24 2.35 -1.64 0.00 0.00 178.16 180.66 1o8t h TRP 26 N 0.14 1.17 -0.91 -3.82 7.01 -0.48 0.35 115.95 119.41 1o8t h TRP 26 Ca -0.25 -0.11 0.10 0.00 2.11 0.00 0.00 58.89 60.74 1o8t h TRP 26 Cb 2.16 -0.34 -0.12 0.00 -2.10 0.00 0.00 29.16 28.75 1o8t h TRP 26 CO 0.12 0.91 -0.54 0.93 -2.79 0.00 0.00 178.44 177.08 1o8t h GLU 27 N 1.09 -0.06 0.00 2.65 3.07 -1.62 0.27 114.58 119.99 1o8t h GLU 27 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1o8t h GLU 27 Cb 0.28 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1o8t h GLU 27 CO -0.01 -0.04 -0.40 0.66 -1.40 0.00 0.00 179.01 177.82 1o8t h SER 28 N -0.06 0.00 -0.21 1.42 4.64 -1.70 -3.33 113.55 114.31 1o8t h SER 28 Ca 0.19 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1o8t h SER 28 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1o8t h SER 28 CO -0.90 0.06 0.12 0.00 -0.87 0.00 0.00 176.83 175.25 1o8t h ALA 29 N 2.48 1.78 -0.23 5.18 0.00 0.18 -2.89 119.26 125.76 1o8t h ALA 29 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1o8t h ALA 29 Cb 0.76 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1o8t h ALA 29 CO 0.00 0.19 -0.16 -0.22 0.00 0.00 0.00 179.25 179.06 1o8t h LYS 30 N 0.32 -0.15 -1.04 0.00 3.64 -1.51 -0.12 116.57 117.71 1o8t h LYS 30 Ca 0.08 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.74 1o8t h LYS 30 Cb 0.02 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.77 1o8t h LYS 30 CO -0.01 -0.10 0.65 1.15 -2.27 0.00 0.00 179.45 178.87 1o8t h THR 31 N -0.15 0.51 -0.76 1.00 2.02 -1.77 0.46 112.91 114.22 1o8t h THR 31 Ca 0.13 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1o8t h THR 31 Cb 0.35 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1o8t h THR 31 CO -0.32 0.08 0.36 0.00 0.37 0.00 0.00 175.52 176.02 1o8t h ALA 32 N 1.65 0.98 -0.12 6.16 0.00 -1.10 -0.94 119.26 125.89 1o8t h ALA 32 Ca 0.62 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.41 1o8t h ALA 32 Cb 1.47 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1o8t h ALA 32 CO -0.36 0.55 -0.51 0.00 0.00 0.00 0.00 179.25 178.92 1o8t h ALA 33 N 1.18 -0.82 -0.47 0.00 0.00 0.31 0.71 119.26 120.17 1o8t h ALA 33 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1o8t h ALA 33 Cb 0.12 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1o8t h ALA 33 CO -0.03 -1.05 0.05 -0.56 0.00 0.00 0.00 179.25 177.65 1o8t h GLN 34 N -0.57 0.75 0.00 0.00 3.07 -1.48 -1.81 115.11 115.06 1o8t h GLN 34 Ca 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 1o8t h GLN 34 Cb 0.68 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 1o8t h GLN 34 CO -0.42 0.72 -0.07 -0.97 0.09 0.00 0.00 178.83 178.18 1o8t h ASN 35 N 0.71 0.00 -0.46 0.06 -0.73 0.26 -1.45 115.58 113.97 1o8t h ASN 35 Ca 0.15 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.37 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 0.18 0.25 -0.37 0.00 0.00 177.43 177.57 1o8t h LEU 36 N 0.00 0.20 -0.86 0.34 5.85 0.13 0.25 115.31 121.22 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1o8t h LEU 36 Cb 0.15 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1o8t h LEU 36 CO 0.01 0.15 0.27 1.88 -0.34 0.00 0.00 178.44 180.41 1o8t h TYR 37 N 0.36 1.14 0.49 1.25 -1.99 -1.33 -2.94 116.97 113.94 1o8t h TYR 37 Ca 0.21 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 1o8t h TYR 37 Cb 0.20 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 1o8t h TYR 37 CO -0.15 0.88 -0.35 0.93 -0.00 0.00 0.00 178.16 179.47 1o8t h GLU 38 N 1.08 -0.79 0.00 4.88 3.07 -0.32 -2.09 114.58 120.40 1o8t h GLU 38 Ca 0.24 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1o8t h GLU 38 Cb 0.24 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1o8t h GLU 38 CO -0.02 -0.53 0.07 -0.22 -1.40 0.00 0.00 179.01 176.91 1o8t h LYS 39 N -0.82 0.00 0.04 2.33 3.11 -0.56 -2.17 116.57 118.51 1o8t h LYS 39 Ca -0.05 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1o8t h LYS 39 Cb 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 1o8t h LYS 39 CO 0.02 0.00 -0.02 1.15 -2.81 0.00 0.00 179.45 177.79 1o8t h THR 40 N 0.00 1.19 -0.57 1.00 2.02 -1.20 -3.18 112.91 112.19 1o8t h THR 40 Ca 0.00 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.32 1o8t h THR 40 Cb 0.13 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1o8t h THR 40 CO 0.00 0.20 -0.00 1.88 0.37 0.00 0.00 175.52 177.96 1o8t h TYR 41 N -0.40 1.06 -3.87 3.16 0.05 -1.44 -3.44 116.97 112.10 1o8t h TYR 41 Ca -0.01 -0.17 -0.51 0.00 0.05 0.00 0.00 58.73 58.09 1o8t h TYR 41 Cb 0.36 -0.28 0.04 0.00 1.01 0.00 0.00 36.73 37.86 1o8t h TYR 41 CO 0.04 0.95 0.51 -0.51 -1.05 0.00 0.00 178.16 178.10 1o8t s LEU 42 N -9.27 4.41 -0.17 3.88 1.43 -1.12 -4.95 118.68 112.88 1o8t s LEU 42 Ca -0.11 2.36 0.06 0.00 -1.03 0.00 0.00 54.13 55.40 1o8t s LEU 42 Cb 0.14 -3.77 0.42 0.00 0.03 0.00 0.00 46.19 43.01 1o8t s LEU 42 CO 0.84 -0.38 1.31 -0.81 0.23 0.00 0.00 176.35 177.54 1o8t n PRO 43 N 0.73 2.59 0.19 1.29 -0.04 -1.26 -4.40 135.00 134.11 1o8t n PRO 43 Ca 0.01 -1.70 0.14 0.00 -0.04 0.00 0.00 63.50 61.91 1o8t n PRO 43 Cb 0.45 -1.82 0.65 0.00 -0.04 0.00 0.00 33.50 32.74 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 2.48 1.00 -0.92 0.55 0.00 -1.92 -3.32 119.26 117.13 1o8t h ALA 44 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1o8t h ALA 44 Cb 1.58 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.25 1o8t h ALA 44 CO 0.40 0.00 -0.48 0.28 0.00 0.00 0.00 179.25 179.45 1o8t n VAL 45 N -2.51 -0.58 0.10 0.00 0.31 -1.26 0.41 118.33 114.80 1o8t n VAL 45 Ca 0.00 2.20 -0.05 0.00 -0.01 0.00 0.00 64.34 66.48 1o8t n VAL 45 Cb 0.16 -2.78 0.04 0.00 -0.91 0.00 0.00 33.84 30.36 1o8t n VAL 45 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1o8t h ASP 46 N 0.00 0.07 0.48 4.52 5.19 -1.97 -3.11 116.42 121.61 1o8t h ASP 46 Ca 0.21 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1o8t h ASP 46 Cb 0.44 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1o8t h ASP 46 CO -0.88 0.83 -0.23 -0.08 -3.12 0.00 0.00 179.24 175.76 1o8t h GLU 47 N 0.03 -0.62 -0.18 3.56 4.22 -0.96 -3.04 114.58 117.59 1o8t h GLU 47 Ca -0.02 0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.52 1o8t h GLU 47 Cb 1.39 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1o8t h GLU 47 CO 0.11 -0.33 0.22 -0.22 -2.18 0.00 0.00 179.01 176.61 1o8t h LYS 48 N -1.03 0.00 0.36 1.92 1.63 -0.17 0.28 116.57 119.55 1o8t h LYS 48 Ca -0.07 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1o8t h LYS 48 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1o8t h LYS 48 CO 0.11 0.00 -0.17 1.25 -3.45 0.00 0.00 179.45 177.19 1o8t h LEU 49 N 0.00 -0.41 -1.33 5.20 5.85 -1.46 -0.22 115.31 122.95 1o8t h LEU 49 Ca 0.08 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1o8t h LEU 49 Cb 0.52 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1o8t h LEU 49 CO -0.00 -0.26 0.05 -0.09 -0.34 0.00 0.00 178.44 177.80 1o8t h ARG 50 N -0.55 0.50 0.48 1.25 9.65 -1.38 -0.85 114.38 123.48 1o8t h ARG 50 Ca -0.05 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 1o8t h ARG 50 Cb 0.37 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1o8t h ARG 50 CO 0.08 0.49 -0.43 -0.44 2.80 0.00 0.00 179.97 182.47 1o8t h ASP 51 N 0.48 -1.15 1.07 -3.80 5.19 -0.42 -2.12 116.42 115.67 1o8t h ASP 51 Ca 0.11 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1o8t h ASP 51 Cb 0.25 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1o8t h ASP 51 CO 0.00 -0.60 0.00 0.25 -3.12 0.00 0.00 179.24 175.77 1o8t h LEU 52 N -0.91 0.00 -0.25 1.55 5.85 -0.93 -3.16 115.31 117.47 1o8t h LEU 52 Ca -0.05 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1o8t h LEU 52 Cb 0.79 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1o8t h LEU 52 CO -0.03 0.00 -0.06 0.22 -0.34 0.00 0.00 178.44 178.22 1o8t h TYR 53 N 0.00 0.54 0.03 1.25 5.03 -0.54 -0.01 116.97 123.28 1o8t h TYR 53 Ca 0.00 -0.12 -0.00 0.00 2.58 0.00 0.00 58.73 61.19 1o8t h TYR 53 Cb 0.53 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.68 1o8t h TYR 53 CO 0.00 0.70 -0.01 1.03 -1.32 0.00 0.00 178.16 178.56 1o8t h SER 54 N 0.22 -0.03 -0.67 -2.11 0.87 -1.36 0.20 113.55 110.66 1o8t h SER 54 Ca 0.06 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1o8t h SER 54 Cb 0.53 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1o8t h SER 54 CO 0.03 0.03 0.36 0.50 -0.53 0.00 0.00 176.83 177.21 1o8t h LYS 55 N -0.09 0.94 0.20 2.24 3.64 -1.60 -1.90 116.57 120.00 1o8t h LYS 55 Ca -0.00 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1o8t h LYS 55 Cb 0.08 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1o8t h LYS 55 CO 0.01 0.72 -0.10 0.77 -2.27 0.00 0.00 179.45 178.58 1o8t h SER 56 N 0.92 -0.23 -0.96 4.20 0.02 -0.79 -2.22 113.55 114.48 1o8t h SER 56 Ca 0.24 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1o8t h SER 56 Cb 0.06 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 1o8t h SER 56 CO -0.04 -0.04 0.63 0.71 -1.14 0.00 0.00 176.83 176.95 1o8t h THR 57 N -0.41 1.13 0.98 -2.27 1.35 -0.90 0.22 112.91 113.02 1o8t h THR 57 Ca -0.03 -0.40 -0.05 0.00 -0.55 0.00 0.00 66.41 65.38 1o8t h THR 57 Cb 0.32 -0.15 0.01 0.00 -1.73 0.00 0.00 68.15 66.60 1o8t h THR 57 CO 0.05 0.22 -0.47 0.00 -0.25 0.00 0.00 175.52 175.06 1o8t h ALA 58 N 1.45 -1.32 0.00 6.62 0.00 -1.23 -2.88 119.26 121.90 1o8t h ALA 58 Ca 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1o8t h ALA 58 Cb 0.07 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1o8t h ALA 58 CO -0.13 -1.23 -0.11 0.00 0.00 0.00 0.00 179.25 177.78 1o8t h ALA 59 N -1.34 1.64 0.00 0.00 0.00 -1.26 -2.31 119.26 115.99 1o8t h ALA 59 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1o8t h ALA 59 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1o8t h ALA 59 CO 0.22 0.13 0.00 0.52 0.00 0.00 0.00 179.25 180.13 1o8t h MET 60 N 0.00 0.00 0.00 0.00 2.86 -0.33 -1.98 114.93 115.47 1o8t h MET 60 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1o8t h MET 60 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1o8t h MET 60 CO 0.01 0.00 -0.02 0.66 1.06 0.00 0.00 176.91 178.62 1o8t h SER 61 N 0.00 0.00 0.00 1.22 4.64 -1.37 -0.85 113.55 117.19 1o8t h SER 61 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1o8t h SER 61 Cb 0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1o8t h SER 61 CO 0.00 0.02 -1.94 0.35 -0.87 0.00 0.00 176.83 174.39 1o8t n THR 62 N -3.15 0.93 0.30 2.95 -2.24 -0.78 -4.54 114.28 107.76 1o8t n THR 62 Ca -0.01 -0.28 0.18 0.00 -2.27 0.00 0.00 64.05 61.68 1o8t n THR 62 Cb 0.24 -1.52 0.84 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.42 0.00 0.28 4.78 0.05 -1.53 -0.69 116.97 119.45 1o8t h TYR 63 Ca -0.41 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.36 1o8t h TYR 63 Cb 1.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.18 1o8t h TYR 63 CO -0.03 0.00 -0.13 1.15 -1.05 0.00 0.00 178.16 178.10 1o8t h THR 64 N 0.00 0.67 -0.48 -2.88 2.02 -1.39 0.67 112.91 111.52 1o8t h THR 64 Ca 0.00 -0.78 -0.09 0.00 0.77 0.00 0.00 66.41 66.31 1o8t h THR 64 Cb 0.24 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1o8t h THR 64 CO 0.00 0.14 -0.07 1.23 0.37 0.00 0.00 175.52 177.19 1o8t h GLY 65 N -0.84 0.92 0.77 2.16 0.00 -1.76 -1.65 103.07 102.67 1o8t h GLY 65 Ca -0.04 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1o8t h GLY 65 CO 0.06 0.63 -0.37 -2.22 0.00 0.00 0.00 176.54 174.64 1o8t h ILE 66 N 0.78 0.00 -0.14 2.60 2.04 -1.12 0.11 117.51 121.77 1o8t h ILE 66 Ca 0.14 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1o8t h ILE 66 Cb 0.57 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1o8t h ILE 66 CO 0.03 0.00 -0.37 -0.26 0.00 0.00 0.00 178.15 177.55 1o8t h PHE 67 N -1.20 -1.05 0.00 1.37 0.04 0.33 0.34 116.94 116.77 1o8t h PHE 67 Ca -0.11 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1o8t h PHE 67 Cb 0.79 0.48 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1o8t h PHE 67 CO 0.01 -0.44 0.00 1.15 -0.60 0.00 0.00 178.31 178.43 1o8t h THR 68 N -0.44 0.00 0.39 -1.55 2.02 -1.36 -3.07 112.91 108.89 1o8t h THR 68 Ca 0.09 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1o8t h THR 68 Cb 0.59 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1o8t h THR 68 CO -0.38 0.00 -0.32 -0.78 0.37 0.00 0.00 175.52 174.41 1o8t h ASP 69 N 0.00 -0.83 0.76 4.18 1.82 0.15 0.12 116.42 122.61 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 0.23 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 1o8t h ASP 69 CO 0.00 -0.47 -0.24 -0.61 -1.61 0.00 0.00 179.24 176.32 1o8t h GLN 70 N -0.71 0.00 0.34 0.28 -0.00 -1.50 -1.62 115.11 111.90 1o8t h GLN 70 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1o8t h GLN 70 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.10 1o8t h GLN 70 CO -0.02 0.24 -0.16 0.28 0.00 0.00 0.00 178.83 179.17 1o8t h VAL 71 N 0.00 0.60 -0.74 2.39 2.07 -1.36 -1.90 116.25 117.31 1o8t h VAL 71 Ca -0.00 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1o8t h VAL 71 Cb 0.68 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1o8t h VAL 71 CO 0.03 0.11 0.48 -0.07 0.02 0.00 0.00 177.57 178.14 1o8t h LEU 72 N -0.84 0.65 -1.04 2.57 4.07 -0.73 -0.24 115.31 119.75 1o8t h LEU 72 Ca -0.05 0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.97 1o8t h LEU 72 Cb 0.53 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.07 1o8t h LEU 72 CO 0.08 0.41 0.64 -1.28 -1.08 0.00 0.00 178.44 177.20 1o8t h SER 73 N 0.73 1.04 0.99 -0.43 0.87 -1.10 0.88 113.55 116.53 1o8t h SER 73 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1o8t h SER 73 Cb 0.32 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1o8t h SER 73 CO -0.11 0.68 0.00 0.58 -0.53 0.00 0.00 176.83 177.45 1o8t h VAL 74 N 1.19 0.00 -0.58 2.23 2.07 -0.22 -2.90 116.25 118.05 1o8t h VAL 74 Ca 0.41 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1o8t h VAL 74 Cb 0.10 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1o8t h VAL 74 CO -0.15 0.00 0.11 0.25 0.02 0.00 0.00 177.57 177.80 1o8t h LEU 75 N 0.00 0.86 -0.17 2.57 6.46 -0.48 -2.70 115.31 121.84 1o8t h LEU 75 Ca 0.00 -0.18 -0.11 0.00 -0.12 0.00 0.00 57.88 57.47 1o8t h LEU 75 Cb 0.49 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1o8t h LEU 75 CO 0.00 0.86 -0.31 0.11 -0.62 0.00 0.00 178.44 178.48 1o8t h LYS 76 N 0.87 0.52 -1.85 1.25 1.57 -1.50 -1.88 116.57 115.54 1o8t h LYS 76 Ca 0.18 -0.32 -0.65 0.00 -1.87 0.00 0.00 60.65 57.99 1o8t h LYS 76 Cb 0.36 0.04 -0.24 0.00 0.08 0.00 0.00 32.23 32.47 1o8t h LYS 76 CO 0.01 0.93 0.81 0.41 -0.57 0.00 0.00 179.45 181.03 1o8t n GLY 77 N 0.38 5.13 0.95 3.86 0.00 -1.12 -4.56 105.19 109.84 1o8t n GLY 77 Ca -0.06 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.11 0.00 0.00 1.61 0.00 -1.04 -4.95 120.64 116.15 1o8t n GLU 78 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.68 1o8t n GLU 78 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.84 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22