#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 -0.33 -6.16 -0.78 4.20 -1.90 -3.45 115.11 106.68 1o8t h GLN 2 Ca 0.00 0.02 -0.52 0.00 0.06 0.00 0.00 58.65 58.21 1o8t h GLN 2 Cb 0.00 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 1o8t h GLN 2 CO 0.00 -0.03 -0.51 -0.65 -0.67 0.00 0.00 178.83 176.97 1o8t s GLN 3 N -4.86 2.59 0.37 1.46 1.11 -1.26 -5.02 119.66 114.04 1o8t s GLN 3 Ca -0.14 -1.35 0.11 0.00 0.01 0.00 0.00 55.36 53.98 1o8t s GLN 3 Cb 0.03 -2.35 0.88 0.00 -1.01 0.00 0.00 33.01 30.55 1o8t s GLN 3 CO 0.58 0.18 1.86 -1.35 0.01 0.00 0.00 175.29 176.56 1o8t h PRO 4 N 1.46 0.60 0.00 2.91 0.11 -2.06 -3.42 132.00 131.60 1o8t h PRO 4 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1o8t h PRO 4 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1o8t h PRO 4 CO 0.61 0.40 0.00 1.04 -0.21 0.00 0.00 178.00 179.83 1o8t n GLN 5 N -4.57 0.75 -0.94 1.05 3.00 -1.26 -4.96 117.38 110.44 1o8t n GLN 5 Ca 0.18 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.88 1o8t n GLN 5 Cb 0.54 0.00 0.24 0.00 0.00 0.00 0.00 30.24 31.02 1o8t n GLN 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1o8t s GLN 6 N -0.44 -1.19 0.07 -1.09 -0.44 -1.26 -4.39 119.66 110.93 1o8t s GLN 6 Ca 0.00 0.14 -0.31 0.00 -2.50 0.00 0.00 55.36 52.69 1o8t s GLN 6 Cb 0.00 -1.58 -0.07 0.00 -1.64 0.00 0.00 33.01 29.72 1o8t s GLN 6 CO 0.00 -3.73 1.33 -0.51 0.50 0.00 0.00 175.29 172.88 1o8t s ASP 7 N -3.58 6.91 -0.01 6.67 1.01 -1.26 -4.47 116.67 121.94 1o8t s ASP 7 Ca 0.69 2.18 -0.08 0.00 0.71 0.00 0.00 52.55 56.05 1o8t s ASP 7 Cb -0.13 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 1o8t s ASP 7 CO 0.57 -0.61 0.61 -0.33 0.21 0.00 0.00 175.17 175.63 1o8t h GLU 8 N 7.00 -0.29 0.48 8.23 3.07 -1.96 -3.39 114.58 127.73 1o8t h GLU 8 Ca -0.41 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.45 1o8t h GLU 8 Cb 1.20 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1o8t h GLU 8 CO 0.86 -0.20 -0.23 0.52 -1.40 0.00 0.00 179.01 178.56 1o8t h MET 9 N -0.54 -0.63 -6.31 2.33 2.86 -2.05 -3.43 114.93 107.16 1o8t h MET 9 Ca -0.03 0.04 -0.54 0.00 -2.06 0.00 0.00 59.70 57.11 1o8t h MET 9 Cb 0.23 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1o8t h MET 9 CO 0.05 -0.36 1.10 -2.14 1.06 0.00 0.00 176.91 176.62 1o8t s PRO 10 N -4.04 4.18 0.57 -0.22 0.02 -1.26 -4.99 135.00 129.25 1o8t s PRO 10 Ca -0.12 2.29 -0.17 0.00 0.02 0.00 0.00 61.00 63.02 1o8t s PRO 10 Cb 0.01 -3.96 -0.05 0.00 0.02 0.00 0.00 34.50 30.53 1o8t s PRO 10 CO 0.38 -0.85 1.07 -1.12 -0.33 0.00 0.00 177.00 176.15 1o8t s SER 11 N 3.40 5.80 -0.06 2.53 0.01 -1.26 -4.40 113.70 119.72 1o8t s SER 11 Ca 0.76 1.93 -0.29 0.00 1.31 0.00 0.00 55.95 59.66 1o8t s SER 11 Cb -0.36 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.25 1o8t s SER 11 CO 0.32 -1.15 1.93 -2.16 0.41 0.00 0.00 173.24 172.58 1o8t s PRO 12 N -3.74 3.89 0.06 12.44 0.04 -1.26 -4.90 135.00 141.54 1o8t s PRO 12 Ca 0.67 2.31 -0.17 0.00 0.04 0.00 0.00 61.00 63.84 1o8t s PRO 12 Cb -0.18 -4.16 -0.15 0.00 0.04 0.00 0.00 34.50 30.05 1o8t s PRO 12 CO 0.32 -1.22 1.30 1.79 0.04 0.00 0.00 177.00 179.23 1o8t h THR 13 N 6.00 1.34 0.00 1.26 1.35 -1.99 -3.47 112.91 117.41 1o8t h THR 13 Ca -0.44 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 1o8t h THR 13 Cb 1.22 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1o8t h THR 13 CO 0.95 0.51 0.00 0.33 -0.25 0.00 0.00 175.52 177.06 1o8t n PHE 14 N -4.27 0.00 0.42 4.73 -0.00 -1.26 -4.20 117.46 112.87 1o8t n PHE 14 Ca -0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.21 1o8t n PHE 14 Cb 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.93 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 -0.90 -2.21 -2.13 -0.00 -2.03 -2.83 115.31 105.21 1o8t h LEU 15 Ca 0.00 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 57.94 1o8t h LEU 15 Cb 0.00 0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1o8t h LEU 15 CO 0.00 -0.57 0.14 0.74 -0.00 0.00 0.00 178.44 178.75 1o8t h THR 16 N -1.20 0.61 -0.08 0.22 2.02 -1.99 -1.67 112.91 110.82 1o8t h THR 16 Ca -0.11 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1o8t h THR 16 Cb 0.83 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1o8t h THR 16 CO 0.18 0.00 -0.05 1.56 0.37 0.00 0.00 175.52 177.58 1o8t h GLN 17 N 0.00 0.12 -0.50 6.66 4.20 -1.79 -3.25 115.11 120.55 1o8t h GLN 17 Ca 0.07 -0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.90 1o8t h GLN 17 Cb 0.36 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.02 1o8t h GLN 17 CO -0.00 0.18 0.01 1.33 -0.67 0.00 0.00 178.83 179.68 1o8t n VAL 18 N -4.41 -0.21 -0.01 -0.54 0.24 -0.63 0.22 118.33 112.99 1o8t n VAL 18 Ca -0.02 1.10 -0.10 0.00 -2.04 0.00 0.00 64.34 63.28 1o8t n VAL 18 Cb 0.17 -1.60 -0.03 0.00 -1.47 0.00 0.00 33.84 30.91 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1o8t h LYS 19 N 0.00 -0.33 -0.06 7.34 1.79 -1.82 -0.09 116.57 123.41 1o8t h LYS 19 Ca 0.30 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.75 1o8t h LYS 19 Cb 0.61 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1o8t h LYS 19 CO -0.47 -0.22 -0.18 0.93 -1.08 0.00 0.00 179.45 178.44 1o8t h GLU 20 N -0.34 0.09 -0.80 3.15 3.07 -0.50 -2.36 114.58 116.89 1o8t h GLU 20 Ca 0.11 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 1o8t h GLU 20 Cb 0.51 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 1o8t h GLU 20 CO -0.36 0.27 0.35 1.03 -1.40 0.00 0.00 179.01 178.91 1o8t h SER 21 N 0.09 1.08 -0.27 1.42 0.87 -0.53 -1.95 113.55 114.26 1o8t h SER 21 Ca 0.02 -0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.24 1o8t h SER 21 Cb 0.37 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1o8t h SER 21 CO 0.02 0.94 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.68 1o8t h LEU 22 N 1.15 0.95 0.30 2.23 3.38 -0.59 -2.40 115.31 120.33 1o8t h LEU 22 Ca 0.27 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1o8t h LEU 22 Cb 0.17 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1o8t h LEU 22 CO -0.03 1.29 -0.18 0.28 0.09 0.00 0.00 178.44 179.88 1o8t h SER 23 N 0.67 -0.46 0.38 -0.43 0.02 -1.21 -1.40 113.55 111.12 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 1.12 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1o8t h SER 23 CO 0.12 -0.30 0.00 -1.28 -1.14 0.00 0.00 176.83 174.23 1o8t h SER 24 N -0.47 0.00 -0.02 3.07 0.87 -1.40 -2.39 113.55 113.20 1o8t h SER 24 Ca -0.03 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.30 1o8t h SER 24 Cb 0.39 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1o8t h SER 24 CO 0.03 0.00 -0.87 0.22 -0.53 0.00 0.00 176.83 175.68 1o8t h TYR 25 N 0.00 0.98 -0.70 2.24 3.20 -0.73 -3.26 116.97 118.69 1o8t h TYR 25 Ca 0.00 -0.47 -0.05 0.00 3.14 0.00 0.00 58.73 61.35 1o8t h TYR 25 Cb 0.19 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1o8t h TYR 25 CO 0.00 1.30 0.23 2.35 -1.64 0.00 0.00 178.16 180.40 1o8t h TRP 26 N 0.45 1.12 -0.90 -3.82 7.01 -0.88 0.78 115.95 119.71 1o8t h TRP 26 Ca -0.08 -0.11 0.10 0.00 2.11 0.00 0.00 58.89 60.91 1o8t h TRP 26 Cb 1.50 -0.33 -0.12 0.00 -2.10 0.00 0.00 29.16 28.11 1o8t h TRP 26 CO 0.09 0.89 -0.54 0.93 -2.79 0.00 0.00 178.44 177.02 1o8t h GLU 27 N 1.03 -0.06 0.00 2.65 3.07 -1.59 0.24 114.58 119.92 1o8t h GLU 27 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1o8t h GLU 27 Cb 0.29 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 0.43 -1.40 0.00 0.00 179.01 177.59 1o8t n SER 28 N -5.32 0.51 0.26 1.42 7.64 -1.19 -3.91 113.62 113.04 1o8t n SER 28 Ca 0.03 0.10 0.09 0.00 1.01 0.00 0.00 58.87 60.10 1o8t n SER 28 Cb 0.30 -0.02 0.69 0.00 -1.01 0.00 0.00 64.21 64.16 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 2.78 1.82 -0.17 -0.43 0.00 0.20 -2.93 119.26 120.52 1o8t h ALA 29 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1o8t h ALA 29 Cb 0.61 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1o8t h ALA 29 CO 0.00 0.04 -0.19 -0.22 0.00 0.00 0.00 179.25 178.89 1o8t h LYS 30 N 0.00 -0.20 -1.04 0.00 1.63 -1.60 -0.48 116.57 114.87 1o8t h LYS 30 Ca -0.00 0.01 0.27 0.00 -0.85 0.00 0.00 60.65 60.08 1o8t h LYS 30 Cb 0.06 0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 31.63 1o8t h LYS 30 CO 0.00 -0.14 0.65 1.79 -3.45 0.00 0.00 179.45 178.31 1o8t h THR 31 N -0.21 0.51 -0.64 1.00 1.35 -1.80 0.41 112.91 113.52 1o8t h THR 31 Ca 0.11 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 1o8t h THR 31 Cb 0.38 0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 66.81 1o8t h THR 31 CO -0.30 0.08 0.31 0.00 -0.25 0.00 0.00 175.52 175.36 1o8t h ALA 32 N 1.65 0.83 -0.11 6.62 0.00 -1.20 -0.22 119.26 126.82 1o8t h ALA 32 Ca 0.62 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.43 1o8t h ALA 32 Cb 1.48 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1o8t h ALA 32 CO -0.36 0.39 -0.52 0.00 0.00 0.00 0.00 179.25 178.76 1o8t h ALA 33 N 1.14 -0.83 -0.28 0.00 0.00 0.21 0.43 119.26 119.93 1o8t h ALA 33 Ca 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1o8t h ALA 33 Cb 0.11 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1o8t h ALA 33 CO -0.03 -1.06 -0.07 1.96 0.00 0.00 0.00 179.25 180.06 1o8t h GLN 34 N -0.58 0.45 -0.07 0.00 1.08 -1.47 -1.91 115.11 112.61 1o8t h GLN 34 Ca 0.04 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1o8t h GLN 34 Cb 0.68 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1o8t h GLN 34 CO -0.42 0.53 -0.04 -0.91 -0.95 0.00 0.00 178.83 177.03 1o8t h ASN 35 N 0.42 0.09 -0.44 1.46 2.35 0.65 -1.25 115.58 118.86 1o8t h ASN 35 Ca 0.09 -0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1o8t h ASN 35 Cb 0.39 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 1o8t h ASN 35 CO 0.02 0.15 0.16 0.25 -1.65 0.00 0.00 177.43 176.35 1o8t h LEU 36 N 0.10 0.16 -1.16 1.61 6.46 0.62 0.78 115.31 123.88 1o8t h LEU 36 Ca 0.02 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 1o8t h LEU 36 Cb 0.15 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1o8t h LEU 36 CO 0.01 0.13 0.11 0.22 -0.62 0.00 0.00 178.44 178.28 1o8t h TYR 37 N 0.32 0.71 0.31 1.25 5.03 -1.30 -3.15 116.97 120.15 1o8t h TYR 37 Ca 0.20 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 1o8t h TYR 37 Cb 0.19 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1o8t h TYR 37 CO -0.15 0.61 -0.27 0.93 -1.32 0.00 0.00 178.16 177.96 1o8t h GLU 38 N 0.68 -0.57 0.00 1.82 3.07 0.04 -2.13 114.58 117.48 1o8t h GLU 38 Ca 0.15 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1o8t h GLU 38 Cb 0.26 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1o8t h GLU 38 CO -0.00 -0.38 0.00 0.36 -1.40 0.00 0.00 179.01 177.59 1o8t n LYS 39 N -5.39 0.19 -0.06 2.33 2.85 -0.58 -2.89 118.16 114.61 1o8t n LYS 39 Ca -0.09 0.15 -0.12 0.00 -1.05 0.00 0.00 58.31 57.20 1o8t n LYS 39 Cb 0.30 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.07 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 1.50 -0.08 0.58 2.02 -1.35 -3.37 112.91 112.21 1o8t h THR 40 Ca 0.00 -2.07 -0.01 0.00 0.77 0.00 0.00 66.41 65.09 1o8t h THR 40 Cb 0.09 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1o8t h THR 40 CO 0.00 0.50 0.00 0.22 0.37 0.00 0.00 175.52 176.61 1o8t h TYR 41 N -0.98 0.14 -3.21 3.16 3.20 -1.49 -3.44 116.97 114.35 1o8t h TYR 41 Ca -0.00 -0.02 -0.58 0.00 3.14 0.00 0.00 58.73 61.27 1o8t h TYR 41 Cb 0.82 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 1o8t h TYR 41 CO 0.23 0.38 -0.22 -0.51 -1.64 0.00 0.00 178.16 176.40 1o8t s LEU 42 N -9.58 4.30 -0.30 2.82 1.02 -1.14 -5.00 118.68 110.79 1o8t s LEU 42 Ca -0.14 0.81 -0.02 0.00 0.02 0.00 0.00 54.13 54.79 1o8t s LEU 42 Cb 0.05 -3.21 0.11 0.00 0.02 0.00 0.00 46.19 43.16 1o8t s LEU 42 CO 0.69 0.10 2.37 -0.81 0.02 0.00 0.00 176.35 178.71 1o8t n PRO 43 N 0.54 1.92 0.21 1.29 -0.04 -1.26 -4.55 135.00 133.10 1o8t n PRO 43 Ca -0.05 -1.60 0.15 0.00 -0.04 0.00 0.00 63.50 61.96 1o8t n PRO 43 Cb 0.52 -1.74 0.69 0.00 -0.04 0.00 0.00 33.50 32.93 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 1.99 1.00 -0.84 0.55 0.00 -1.94 -2.97 119.26 117.04 1o8t h ALA 44 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1o8t h ALA 44 Cb 0.92 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1o8t h ALA 44 CO 0.68 0.00 0.55 -0.24 0.00 0.00 0.00 179.25 180.24 1o8t h VAL 45 N 0.00 0.96 -0.28 0.00 3.04 -1.86 -1.14 116.25 116.97 1o8t h VAL 45 Ca 0.00 -0.28 -0.13 0.00 -1.01 0.00 0.00 66.70 65.28 1o8t h VAL 45 Cb 0.25 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.60 1o8t h VAL 45 CO 0.00 0.15 -0.37 0.44 -1.01 0.00 0.00 177.57 176.78 1o8t h ASP 46 N 0.81 0.68 -0.43 3.17 3.32 -1.92 -3.10 116.42 118.94 1o8t h ASP 46 Ca 0.39 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1o8t h ASP 46 Cb 0.42 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1o8t h ASP 46 CO -0.16 0.98 -0.12 -0.08 -1.72 0.00 0.00 179.24 178.14 1o8t h GLU 47 N 0.54 0.85 -0.09 3.56 4.57 -1.42 -2.86 114.58 119.73 1o8t h GLU 47 Ca 0.05 -0.33 0.03 0.00 -1.18 0.00 0.00 59.36 57.93 1o8t h GLU 47 Cb 0.88 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1o8t h GLU 47 CO 0.08 0.97 0.10 0.87 -1.18 0.00 0.00 179.01 179.84 1o8t h LYS 48 N 0.68 0.00 0.45 1.92 1.57 -1.22 0.22 116.57 120.19 1o8t h LYS 48 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1o8t h LYS 48 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1o8t h LYS 48 CO 0.05 0.00 -0.22 -0.07 -0.57 0.00 0.00 179.45 178.64 1o8t h LEU 49 N 0.00 -0.52 -1.53 2.94 3.38 -1.44 -1.06 115.31 117.07 1o8t h LEU 49 Ca 0.04 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1o8t h LEU 49 Cb 0.24 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1o8t h LEU 49 CO -0.00 -0.33 -0.07 0.03 0.09 0.00 0.00 178.44 178.16 1o8t h ARG 50 N -0.70 0.21 0.53 1.13 -0.00 -1.59 -1.99 114.38 111.97 1o8t h ARG 50 Ca -0.06 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.36 1o8t h ARG 50 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.39 1o8t h ARG 50 CO 0.10 0.30 -0.45 0.22 0.00 0.00 0.00 179.97 180.14 1o8t h ASP 51 N 0.21 -1.22 0.41 7.04 1.82 -0.48 -0.28 116.42 123.92 1o8t h ASP 51 Ca 0.05 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1o8t h ASP 51 Cb 0.26 0.39 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 1o8t h ASP 51 CO 0.01 -0.64 -0.14 -0.07 -1.61 0.00 0.00 179.24 176.80 1o8t h LEU 52 N -0.97 0.00 -0.17 2.28 4.07 -1.06 -2.88 115.31 116.58 1o8t h LEU 52 Ca -0.06 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 1o8t h LEU 52 Cb 0.83 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 1o8t h LEU 52 CO -0.02 0.14 -0.04 0.22 -1.08 0.00 0.00 178.44 177.66 1o8t h TYR 53 N 0.00 0.36 0.02 1.13 5.03 -0.65 -0.74 116.97 122.11 1o8t h TYR 53 Ca -0.00 -0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.23 1o8t h TYR 53 Cb 0.38 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1o8t h TYR 53 CO 0.00 0.59 -0.01 0.66 -1.32 0.00 0.00 178.16 178.08 1o8t h SER 54 N 0.02 -0.02 -0.36 -2.11 4.64 -0.87 -2.62 113.55 112.23 1o8t h SER 54 Ca 0.04 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1o8t h SER 54 Cb 0.48 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1o8t h SER 54 CO 0.02 0.04 0.17 0.11 -0.87 0.00 0.00 176.83 176.29 1o8t h LYS 55 N -0.08 0.57 0.00 4.77 6.56 -1.56 -2.34 116.57 124.50 1o8t h LYS 55 Ca -0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1o8t h LYS 55 Cb 0.07 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1o8t h LYS 55 CO 0.00 0.47 0.00 0.77 -2.06 0.00 0.00 179.45 178.64 1o8t h SER 56 N 0.57 0.00 0.68 0.86 0.02 -0.74 -1.88 113.55 113.07 1o8t h SER 56 Ca 0.14 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1o8t h SER 56 Cb 0.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1o8t h SER 56 CO -0.02 0.00 -0.42 0.71 -1.14 0.00 0.00 176.83 175.96 1o8t h THR 57 N 0.00 0.14 0.11 -2.27 1.35 -1.34 -1.50 112.91 109.41 1o8t h THR 57 Ca 0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.55 1o8t h THR 57 Cb 0.12 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.67 1o8t h THR 57 CO 0.00 0.00 -1.66 0.00 -0.25 0.00 0.00 175.52 173.61 1o8t h ALA 58 N -0.83 0.29 0.86 6.62 0.00 -1.76 -3.26 119.26 121.18 1o8t h ALA 58 Ca -0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 54.91 53.55 1o8t h ALA 58 Cb 0.84 0.61 0.01 0.00 0.00 0.00 0.00 17.79 19.25 1o8t h ALA 58 CO 0.09 1.02 -0.42 0.00 0.00 0.00 0.00 179.25 179.94 1o8t h ALA 59 N -0.05 -1.16 -0.38 0.00 0.00 -1.46 -3.06 119.26 113.15 1o8t h ALA 59 Ca -0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1o8t h ALA 59 Cb 1.83 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 20.05 1o8t h ALA 59 CO 0.04 -1.09 0.15 1.98 0.00 0.00 0.00 179.25 180.34 1o8t h MET 60 N -1.29 0.53 0.00 0.00 4.05 -1.43 -1.76 114.93 115.04 1o8t h MET 60 Ca -0.12 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1o8t h MET 60 Cb 0.89 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 1o8t h MET 60 CO 0.20 0.44 0.00 -1.13 0.23 0.00 0.00 176.91 176.65 1o8t n SER 61 N -4.39 0.39 -0.12 1.39 3.41 -1.17 -0.77 113.62 112.36 1o8t n SER 61 Ca 0.02 0.62 -0.23 0.00 -0.26 0.00 0.00 58.87 59.02 1o8t n SER 61 Cb 0.14 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.31 1o8t n SER 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1o8t n THR 62 N -1.96 1.52 0.26 6.66 -1.04 -0.71 -4.08 114.28 114.94 1o8t n THR 62 Ca 0.02 -0.21 0.13 0.00 -2.04 0.00 0.00 64.05 61.95 1o8t n THR 62 Cb 0.15 -2.03 0.73 0.00 -1.82 0.00 0.00 70.33 67.37 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 -1.00 0.00 0.40 -1.42 0.05 -1.42 0.14 116.97 113.72 1o8t h TYR 63 Ca -0.48 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.28 1o8t h TYR 63 Cb 1.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.15 1o8t h TYR 63 CO -0.17 0.11 -0.19 1.15 -1.05 0.00 0.00 178.16 178.01 1o8t h THR 64 N 0.00 0.34 -0.83 -2.88 2.02 -1.17 0.59 112.91 110.99 1o8t h THR 64 Ca -0.00 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1o8t h THR 64 Cb 0.35 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1o8t h THR 64 CO 0.01 0.07 0.40 1.23 0.37 0.00 0.00 175.52 177.61 1o8t h GLY 65 N -1.02 1.28 0.83 2.16 0.00 -1.68 -0.76 103.07 103.89 1o8t h GLY 65 Ca -0.06 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1o8t h GLY 65 CO 0.09 0.60 -0.33 -2.22 0.00 0.00 0.00 176.54 174.68 1o8t h ILE 66 N 1.18 0.20 -0.23 2.60 2.04 -1.00 0.11 117.51 122.41 1o8t h ILE 66 Ca 0.29 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.98 1o8t h ILE 66 Cb 0.12 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 1o8t h ILE 66 CO -0.04 0.02 -0.31 0.15 0.00 0.00 0.00 178.15 177.97 1o8t h PHE 67 N -1.11 -0.86 0.00 1.37 3.57 0.26 0.37 116.94 120.55 1o8t h PHE 67 Ca -0.09 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1o8t h PHE 67 Cb 0.74 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1o8t h PHE 67 CO -0.00 -0.38 -0.11 1.15 -2.23 0.00 0.00 178.31 176.74 1o8t h THR 68 N -0.33 0.53 0.39 4.41 2.02 -1.17 -2.70 112.91 116.06 1o8t h THR 68 Ca 0.13 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1o8t h THR 68 Cb 0.53 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1o8t h THR 68 CO -0.42 0.11 -0.32 -0.78 0.37 0.00 0.00 175.52 174.48 1o8t h ASP 69 N 0.00 -0.83 0.72 4.18 3.58 0.15 0.14 116.42 124.36 1o8t h ASP 69 Ca -0.00 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 1o8t h ASP 69 Cb 0.32 0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1o8t h ASP 69 CO 0.01 -0.46 -0.27 1.56 -2.88 0.00 0.00 179.24 177.20 1o8t h GLN 70 N -0.71 0.00 0.28 0.28 7.50 -1.38 -1.94 115.11 119.14 1o8t h GLN 70 Ca -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 1o8t h GLN 70 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.15 1o8t h GLN 70 CO -0.02 0.27 -0.13 0.28 -1.50 0.00 0.00 178.83 177.73 1o8t h VAL 71 N 0.00 0.73 -0.77 -0.54 2.07 -1.11 -2.23 116.25 114.40 1o8t h VAL 71 Ca -0.00 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1o8t h VAL 71 Cb 0.70 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1o8t h VAL 71 CO 0.03 0.13 0.50 -0.07 0.02 0.00 0.00 177.57 178.19 1o8t h LEU 72 N -0.76 0.68 -1.07 2.57 4.07 -0.69 -0.25 115.31 119.85 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.98 1o8t h LEU 72 Cb 0.50 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.05 1o8t h LEU 72 CO 0.06 0.43 0.63 0.77 -1.08 0.00 0.00 178.44 179.25 1o8t h SER 73 N 0.77 1.01 0.98 -0.43 4.64 -1.17 0.90 113.55 120.26 1o8t h SER 73 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1o8t h SER 73 Cb 0.33 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1o8t h SER 73 CO -0.12 0.66 0.00 0.58 -0.87 0.00 0.00 176.83 177.08 1o8t h VAL 74 N 1.15 0.00 -0.65 0.95 2.07 -0.42 -2.94 116.25 116.41 1o8t h VAL 74 Ca 0.40 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1o8t h VAL 74 Cb 0.11 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1o8t h VAL 74 CO -0.14 0.00 0.14 0.25 0.02 0.00 0.00 177.57 177.84 1o8t h LEU 75 N 0.00 0.97 -0.23 2.57 5.85 -0.48 -0.26 115.31 123.73 1o8t h LEU 75 Ca 0.00 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.37 1o8t h LEU 75 Cb 0.49 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1o8t h LEU 75 CO 0.00 0.95 -0.41 0.11 -0.34 0.00 0.00 178.44 178.75 1o8t h LYS 76 N 0.98 0.68 0.21 1.25 6.56 -1.51 0.97 116.57 125.70 1o8t h LYS 76 Ca 0.20 -0.43 -0.01 0.00 -1.06 0.00 0.00 60.65 59.36 1o8t h LYS 76 Cb 0.37 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1o8t h LYS 76 CO 0.00 1.05 -0.10 0.78 -2.06 0.00 0.00 179.45 179.12 1o8t h GLY 77 N 0.39 -0.29 0.00 3.86 0.00 -1.53 -3.39 103.07 102.11 1o8t h GLY 77 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1o8t h GLY 77 CO 0.09 -0.11 -0.02 0.83 0.00 0.00 0.00 176.54 177.33 1o8t h GLU 78 N -0.60 0.00 0.00 4.80 5.08 -1.15 -3.52 114.58 119.20 1o8t h GLU 78 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1o8t h GLU 78 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1o8t h GLU 78 CO 0.05 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.15