#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 0.48 0.00 -0.78 7.50 -2.08 -3.48 115.11 116.74 1o8t h GLN 2 Ca 0.00 -0.80 0.00 0.00 0.50 0.00 0.00 58.65 58.35 1o8t h GLN 2 Cb 0.00 0.30 0.00 0.00 0.05 0.00 0.00 27.48 27.83 1o8t h GLN 2 CO 0.00 1.38 0.00 0.94 -1.50 0.00 0.00 178.83 179.65 1o8t n GLN 3 N -3.85 0.00 -2.24 1.46 0.00 -1.26 -5.06 117.38 106.43 1o8t n GLN 3 Ca -0.16 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.50 1o8t n GLN 3 Cb 1.01 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 31.21 1o8t n GLN 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1o8t s PRO 4 N -1.79 2.92 0.79 3.69 0.04 -1.26 -4.98 135.00 134.40 1o8t s PRO 4 Ca 0.00 -0.37 -0.11 0.00 0.04 0.00 0.00 61.00 60.56 1o8t s PRO 4 Cb 0.00 -4.95 0.06 0.00 0.04 0.00 0.00 34.50 29.66 1o8t s PRO 4 CO 0.00 -2.82 1.08 -0.65 0.04 0.00 0.00 177.00 174.65 1o8t s GLN 5 N 6.32 2.17 0.93 4.56 1.11 -1.26 -5.03 119.66 128.46 1o8t s GLN 5 Ca 0.59 0.89 -0.16 0.00 0.01 0.00 0.00 55.36 56.70 1o8t s GLN 5 Cb -0.06 -1.91 0.23 0.00 -1.01 0.00 0.00 33.01 30.27 1o8t s GLN 5 CO 0.02 -1.63 0.76 0.00 0.01 0.00 0.00 175.29 174.45 1o8t n GLN 6 N -3.48 -2.90 -2.23 2.91 10.64 -1.26 -4.99 117.38 116.07 1o8t n GLN 6 Ca 0.08 -1.23 -0.34 0.00 -1.83 0.00 0.00 57.00 53.68 1o8t n GLN 6 Cb 0.55 -1.23 0.00 0.00 -0.86 0.00 0.00 30.24 28.70 1o8t n GLN 6 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 1o8t s ASP 7 N -3.47 5.76 0.51 2.61 -4.77 -1.26 -5.01 116.67 111.06 1o8t s ASP 7 Ca 0.51 2.08 -0.20 0.00 -3.30 0.00 0.00 52.55 51.63 1o8t s ASP 7 Cb -0.06 -2.57 -0.07 0.00 -1.09 0.00 0.00 42.92 39.14 1o8t s ASP 7 CO 0.40 -1.19 1.13 -0.70 0.70 0.00 0.00 175.17 175.51 1o8t s GLU 8 N -3.44 3.51 0.09 2.11 -6.30 -1.26 -4.97 118.70 108.43 1o8t s GLU 8 Ca 0.70 1.63 -0.31 0.00 -2.50 0.00 0.00 54.97 54.49 1o8t s GLU 8 Cb -0.21 -2.12 -0.08 0.00 0.00 0.00 0.00 34.13 31.72 1o8t s GLU 8 CO 0.28 -0.72 1.42 1.41 0.02 0.00 0.00 175.26 177.66 1o8t s MET 9 N -3.12 4.30 -0.48 4.30 -2.45 -1.26 -4.91 119.30 115.67 1o8t s MET 9 Ca 0.70 2.08 -0.26 0.00 -1.25 0.00 0.00 55.69 56.96 1o8t s MET 9 Cb -0.24 -3.34 -0.06 0.00 1.25 0.00 0.00 34.83 32.44 1o8t s MET 9 CO 0.28 -0.49 2.26 -1.25 1.05 0.00 0.00 175.02 176.87 1o8t s PRO 10 N 1.48 2.34 0.68 4.11 0.04 -1.26 -4.96 135.00 137.42 1o8t s PRO 10 Ca 0.65 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 1o8t s PRO 10 Cb -0.36 -4.51 0.01 0.00 0.04 0.00 0.00 34.50 29.67 1o8t s PRO 10 CO 0.30 -3.02 1.07 -1.54 0.04 0.00 0.00 177.00 173.85 1o8t s SER 11 N 10.83 5.25 0.31 6.66 1.04 -1.26 -4.98 113.70 131.55 1o8t s SER 11 Ca 0.91 1.77 -0.30 0.00 0.48 0.00 0.00 55.95 58.82 1o8t s SER 11 Cb -0.18 -2.52 -0.11 0.00 0.10 0.00 0.00 66.02 63.31 1o8t s SER 11 CO 0.26 -1.53 1.59 -2.16 0.98 0.00 0.00 173.24 172.37 1o8t s PRO 12 N -4.63 4.11 0.01 4.02 0.04 -1.26 -4.94 135.00 132.35 1o8t s PRO 12 Ca 0.61 2.60 -0.30 0.00 0.04 0.00 0.00 61.00 63.95 1o8t s PRO 12 Cb -0.16 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1o8t s PRO 12 CO 0.49 -0.63 1.33 0.99 0.04 0.00 0.00 177.00 179.22 1o8t s THR 13 N -0.17 3.82 0.35 1.26 2.01 -1.26 -4.92 115.64 116.74 1o8t s THR 13 Ca 0.62 1.22 0.13 0.00 0.31 0.00 0.00 61.69 63.98 1o8t s THR 13 Cb -0.48 -3.79 0.09 0.00 0.01 0.00 0.00 72.50 68.33 1o8t s THR 13 CO 0.51 0.02 1.81 0.15 -0.69 0.00 0.00 174.62 176.42 1o8t h PHE 14 N 7.52 0.00 -0.80 4.92 3.57 -2.01 -2.93 116.94 127.21 1o8t h PHE 14 Ca -0.38 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 1o8t h PHE 14 Cb 1.18 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 1o8t h PHE 14 CO 0.73 0.39 0.37 1.25 -2.23 0.00 0.00 178.31 178.81 1o8t h LEU 15 N 0.00 1.05 -0.47 0.59 5.85 -2.00 -1.64 115.31 118.69 1o8t h LEU 15 Ca -0.00 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1o8t h LEU 15 Cb 0.70 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1o8t h LEU 15 CO 0.05 0.89 0.24 0.74 -0.34 0.00 0.00 178.44 180.03 1o8t h THR 16 N 1.14 0.98 0.78 1.05 2.02 -1.92 -2.96 112.91 113.99 1o8t h THR 16 Ca 0.27 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 1o8t h THR 16 Cb 0.13 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1o8t h THR 16 CO -0.03 0.09 -0.37 -0.61 0.37 0.00 0.00 175.52 174.96 1o8t h GLN 17 N 0.48 -1.01 -0.51 6.66 -0.00 -1.53 -3.18 115.11 116.03 1o8t h GLN 17 Ca 0.20 0.07 0.12 0.00 -0.00 0.00 0.00 58.65 59.04 1o8t h GLN 17 Cb 0.10 0.23 -0.10 0.00 0.00 0.00 0.00 27.48 27.71 1o8t h GLN 17 CO -0.14 -0.65 -0.07 0.28 0.00 0.00 0.00 178.83 178.25 1o8t n VAL 18 N -5.50 -0.21 0.12 2.39 0.31 -0.65 -0.49 118.33 114.30 1o8t n VAL 18 Ca -0.14 1.14 -0.15 0.00 -0.01 0.00 0.00 64.34 65.19 1o8t n VAL 18 Cb 0.42 -1.62 -0.09 0.00 -0.91 0.00 0.00 33.84 31.65 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 -0.67 0.00 5.55 1.57 -1.52 -0.56 116.57 120.94 1o8t h LYS 19 Ca 0.27 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1o8t h LYS 19 Cb 0.48 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1o8t h LYS 19 CO -0.50 -0.44 -0.13 1.05 -0.57 0.00 0.00 179.45 178.85 1o8t h GLU 20 N -0.69 0.00 -0.83 3.15 -0.00 -0.92 -2.33 114.58 112.97 1o8t h GLU 20 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.31 1o8t h GLU 20 Cb 0.68 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.39 1o8t h GLU 20 CO -0.23 0.13 0.36 1.03 -0.00 0.00 0.00 179.01 180.31 1o8t h SER 21 N 0.00 1.11 0.19 3.06 0.87 -0.07 -2.55 113.55 116.16 1o8t h SER 21 Ca -0.00 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.26 1o8t h SER 21 Cb 0.31 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1o8t h SER 21 CO 0.02 0.96 -0.53 -0.07 -0.53 0.00 0.00 176.83 176.67 1o8t h LEU 22 N 1.19 0.41 0.42 2.23 3.38 -0.59 -2.75 115.31 119.61 1o8t h LEU 22 Ca 0.28 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1o8t h LEU 22 Cb 0.17 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1o8t h LEU 22 CO -0.03 0.87 -0.24 0.28 0.09 0.00 0.00 178.44 179.41 1o8t h SER 23 N 0.29 -0.61 0.38 -0.43 0.02 -1.28 -0.77 113.55 111.15 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 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1o8t h SER 23 CO 0.09 -0.39 0.00 -1.28 -1.14 0.00 0.00 176.83 174.11 1o8t h SER 24 N -0.63 0.00 0.08 3.07 0.87 -1.52 -2.29 113.55 113.13 1o8t h SER 24 Ca -0.05 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.24 1o8t h SER 24 Cb 0.51 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1o8t h SER 24 CO 0.06 0.00 -1.12 0.22 -0.53 0.00 0.00 176.83 175.46 1o8t h TYR 25 N 0.00 0.98 -0.61 2.24 3.20 -0.99 -3.29 116.97 118.50 1o8t h TYR 25 Ca 0.00 -0.59 -0.05 0.00 3.14 0.00 0.00 58.73 61.23 1o8t h TYR 25 Cb 0.19 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1o8t h TYR 25 CO 0.00 1.43 0.17 2.35 -1.64 0.00 0.00 178.16 180.47 1o8t h TRP 26 N 0.25 0.97 -0.90 -3.82 7.01 -0.59 0.24 115.95 119.10 1o8t h TRP 26 Ca -0.16 -0.09 0.11 0.00 2.11 0.00 0.00 58.89 60.86 1o8t h TRP 26 Cb 1.80 -0.28 -0.13 0.00 -2.10 0.00 0.00 29.16 28.44 1o8t h TRP 26 CO 0.12 0.79 -0.50 0.93 -2.79 0.00 0.00 178.44 176.99 1o8t h GLU 27 N 0.91 -0.05 0.00 2.65 5.08 -1.58 0.26 114.58 121.84 1o8t h GLU 27 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1o8t h GLU 27 Cb 0.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1o8t h GLU 27 CO -0.00 -0.04 -0.52 0.77 -1.00 0.00 0.00 179.01 178.21 1o8t h SER 28 N -0.06 0.00 -0.40 1.42 0.02 -1.69 -3.34 113.55 109.51 1o8t h SER 28 Ca 0.22 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 28 Cb 0.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1o8t h SER 28 CO -0.90 0.08 0.24 0.00 -1.14 0.00 0.00 176.83 175.11 1o8t h ALA 29 N 2.48 1.63 -0.33 3.77 0.00 0.17 -2.81 119.26 124.15 1o8t h ALA 29 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1o8t h ALA 29 Cb 0.76 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1o8t h ALA 29 CO 0.00 0.32 -0.08 -0.22 0.00 0.00 0.00 179.25 179.27 1o8t h LYS 30 N 0.58 -0.00 -1.03 0.00 3.64 -1.49 0.25 116.57 118.53 1o8t h LYS 30 Ca 0.15 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.79 1o8t h LYS 30 Cb 0.00 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.71 1o8t h LYS 30 CO -0.03 -0.00 0.64 1.15 -2.27 0.00 0.00 179.45 178.94 1o8t h THR 31 N -0.00 0.52 -0.56 1.00 2.02 -1.75 0.45 112.91 114.58 1o8t h THR 31 Ca 0.16 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1o8t h THR 31 Cb 0.24 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1o8t h THR 31 CO -0.34 0.09 0.27 0.00 0.37 0.00 0.00 175.52 175.90 1o8t h ALA 32 N 1.67 0.73 -0.37 6.16 0.00 -1.02 -0.66 119.26 125.77 1o8t h ALA 32 Ca 0.63 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1o8t h ALA 32 Cb 1.41 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 1o8t h ALA 32 CO -0.38 0.30 -0.29 0.00 0.00 0.00 0.00 179.25 178.88 1o8t h ALA 33 N 1.10 -0.11 -0.63 0.00 0.00 0.33 0.65 119.26 120.59 1o8t h ALA 33 Ca 0.19 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1o8t h ALA 33 Cb 0.13 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1o8t h ALA 33 CO -0.02 -0.68 0.13 1.96 0.00 0.00 0.00 179.25 180.64 1o8t h GLN 34 N -0.23 1.01 0.00 0.00 7.50 -1.36 -1.80 115.11 120.23 1o8t h GLN 34 Ca 0.17 -0.24 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 1o8t h GLN 34 Cb 0.51 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.90 1o8t h GLN 34 CO -0.50 0.91 -0.06 -0.97 -1.50 0.00 0.00 178.83 176.71 1o8t h ASN 35 N 0.96 0.00 -0.42 1.46 -1.24 0.69 -1.70 115.58 115.33 1o8t h ASN 35 Ca 0.20 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.26 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 0.00 0.06 0.14 0.25 -1.29 0.00 0.00 177.43 176.60 1o8t h LEU 36 N 0.00 0.14 -0.98 0.34 7.12 0.11 0.22 115.31 122.27 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 0.13 0.00 0.00 57.88 58.01 1o8t h LEU 36 Cb 0.13 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.27 1o8t h LEU 36 CO 0.01 0.12 0.21 1.88 -0.13 0.00 0.00 178.44 180.53 1o8t h TYR 37 N 0.30 0.97 0.64 1.25 -1.99 -1.37 -3.01 116.97 113.76 1o8t h TYR 37 Ca 0.20 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 1o8t h TYR 37 Cb 0.19 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 1o8t h TYR 37 CO -0.16 0.77 -0.44 1.49 -0.00 0.00 0.00 178.16 179.83 1o8t h GLU 38 N 0.93 -0.99 0.00 4.88 4.22 -0.43 -2.33 114.58 120.85 1o8t h GLU 38 Ca 0.21 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.72 1o8t h GLU 38 Cb 0.24 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1o8t h GLU 38 CO -0.01 -0.66 0.11 1.63 -2.18 0.00 0.00 179.01 177.90 1o8t n LYS 39 N -5.56 0.12 0.08 1.92 4.76 0.53 -2.05 118.16 117.96 1o8t n LYS 39 Ca -0.13 0.61 -0.13 0.00 -2.87 0.00 0.00 58.31 55.79 1o8t n LYS 39 Cb 0.45 -1.99 -0.08 0.00 -1.84 0.00 0.00 35.03 31.56 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1o8t h THR 40 N 0.00 0.94 -0.35 -0.18 2.02 -1.29 -3.28 112.91 110.77 1o8t h THR 40 Ca 0.00 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 1o8t h THR 40 Cb 0.21 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1o8t h THR 40 CO 0.00 0.18 0.02 1.88 0.37 0.00 0.00 175.52 177.97 1o8t h TYR 41 N -0.65 0.65 -3.94 3.16 0.05 -1.47 -3.44 116.97 111.33 1o8t h TYR 41 Ca -0.02 -0.11 -0.51 0.00 0.05 0.00 0.00 58.73 58.14 1o8t h TYR 41 Cb 0.47 -0.17 0.05 0.00 1.01 0.00 0.00 36.73 38.09 1o8t h TYR 41 CO 0.05 0.69 0.50 -0.51 -1.05 0.00 0.00 178.16 177.84 1o8t s LEU 42 N -9.48 4.20 -0.26 3.88 1.02 -1.08 -4.95 118.68 112.00 1o8t s LEU 42 Ca -0.13 2.34 0.03 0.00 0.02 0.00 0.00 54.13 56.38 1o8t s LEU 42 Cb 0.09 -4.02 0.41 0.00 0.02 0.00 0.00 46.19 42.69 1o8t s LEU 42 CO 0.77 -0.66 1.53 -0.81 0.02 0.00 0.00 176.35 177.21 1o8t n PRO 43 N 0.10 1.86 0.20 1.29 -0.04 -1.26 -4.47 135.00 132.68 1o8t n PRO 43 Ca 0.04 -1.81 0.14 0.00 -0.04 0.00 0.00 63.50 61.83 1o8t n PRO 43 Cb 0.46 -1.73 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 1.53 1.00 -0.74 0.55 0.00 -1.92 -3.28 119.26 116.39 1o8t h ALA 44 Ca 0.36 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.40 1o8t h ALA 44 Cb 2.08 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.73 1o8t h ALA 44 CO 0.64 0.00 -0.28 -0.39 0.00 0.00 0.00 179.25 179.22 1o8t h VAL 45 N 0.00 0.16 -0.02 0.00 -1.51 -1.88 0.40 116.25 113.40 1o8t h VAL 45 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.35 1o8t h VAL 45 Cb 0.24 0.16 -0.02 0.00 -2.13 0.00 0.00 31.29 29.54 1o8t h VAL 45 CO 0.00 0.00 -0.54 -0.78 -1.23 0.00 0.00 177.57 175.02 1o8t h ASP 46 N -0.07 0.08 -0.07 4.19 3.58 -1.97 -3.09 116.42 119.07 1o8t h ASP 46 Ca 0.31 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 1o8t h ASP 46 Cb 0.57 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 1o8t h ASP 46 CO -0.79 0.61 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.08 1o8t h GLU 47 N 0.05 0.13 -0.30 0.28 4.22 -0.84 -2.96 114.58 115.17 1o8t h GLU 47 Ca -0.00 -0.05 0.09 0.00 0.08 0.00 0.00 59.36 59.47 1o8t h GLU 47 Cb 0.98 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1o8t h GLU 47 CO 0.07 0.47 0.23 0.87 -2.18 0.00 0.00 179.01 178.47 1o8t h LYS 48 N -0.22 0.00 0.23 1.92 6.56 -0.38 0.46 116.57 125.15 1o8t h LYS 48 Ca 0.02 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1o8t h LYS 48 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1o8t h LYS 48 CO 0.01 0.00 -0.11 -0.07 -2.06 0.00 0.00 179.45 177.22 1o8t h LEU 49 N 0.00 -0.26 -1.58 2.94 3.38 -1.44 -1.27 115.31 117.08 1o8t h LEU 49 Ca 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1o8t h LEU 49 Cb 0.59 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1o8t h LEU 49 CO -0.00 -0.16 -0.08 0.03 0.09 0.00 0.00 178.44 178.31 1o8t h ARG 50 N -0.36 0.17 0.55 1.13 -0.00 -1.47 -2.20 114.38 112.20 1o8t h ARG 50 Ca -0.03 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.40 1o8t h ARG 50 Cb 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.16 1o8t h ARG 50 CO 0.05 0.26 -0.47 0.22 0.00 0.00 0.00 179.97 180.04 1o8t h ASP 51 N 0.17 -1.25 0.24 7.04 3.58 -0.05 0.05 116.42 126.19 1o8t h ASP 51 Ca 0.04 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1o8t h ASP 51 Cb 0.25 0.40 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 1o8t h ASP 51 CO 0.01 -0.66 -0.12 -0.07 -2.88 0.00 0.00 179.24 175.53 1o8t h LEU 52 N -1.01 0.00 0.00 2.28 3.38 -1.10 -2.56 115.31 116.32 1o8t h LEU 52 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1o8t h LEU 52 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1o8t h LEU 52 CO -0.02 0.12 -0.00 1.88 0.09 0.00 0.00 178.44 180.51 1o8t h TYR 53 N 0.00 -0.00 -0.35 1.13 -1.99 -0.74 -0.39 116.97 114.62 1o8t h TYR 53 Ca -0.00 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1o8t h TYR 53 Cb 0.27 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 1o8t h TYR 53 CO 0.00 0.37 0.21 0.66 -0.00 0.00 0.00 178.16 179.40 1o8t h SER 54 N -0.38 0.43 -0.09 3.88 4.64 -0.77 -2.12 113.55 119.14 1o8t h SER 54 Ca -0.00 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1o8t h SER 54 Cb 0.37 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1o8t h SER 54 CO 0.00 0.37 0.05 0.11 -0.87 0.00 0.00 176.83 176.49 1o8t h LYS 55 N 0.46 0.13 0.00 4.77 6.56 -1.49 -2.56 116.57 124.44 1o8t h LYS 55 Ca 0.13 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1o8t h LYS 55 Cb 0.02 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 1o8t h LYS 55 CO -0.02 0.18 0.00 0.66 -2.06 0.00 0.00 179.45 178.21 1o8t h SER 56 N 0.05 0.00 0.27 0.86 4.64 -0.92 -2.08 113.55 116.36 1o8t h SER 56 Ca 0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1o8t h SER 56 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1o8t h SER 56 CO -0.00 0.00 -0.21 0.74 -0.87 0.00 0.00 176.83 176.49 1o8t h THR 57 N 0.00 0.56 0.11 2.95 2.02 -0.94 -0.49 112.91 117.12 1o8t h THR 57 Ca 0.00 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 1o8t h THR 57 Cb 0.12 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1o8t h THR 57 CO 0.00 0.00 -1.62 0.00 0.37 0.00 0.00 175.52 174.27 1o8t h ALA 58 N 0.21 0.28 0.79 6.16 0.00 -1.68 -3.28 119.26 121.73 1o8t h ALA 58 Ca -0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 54.91 53.63 1o8t h ALA 58 Cb 0.42 0.60 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1o8t h ALA 58 CO -0.01 0.99 -0.38 0.00 0.00 0.00 0.00 179.25 179.86 1o8t h ALA 59 N -0.07 -1.16 0.00 0.00 0.00 -1.46 -3.00 119.26 113.57 1o8t h ALA 59 Ca -0.36 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1o8t h ALA 59 Cb 1.81 0.41 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1o8t h ALA 59 CO 0.03 -1.08 0.00 1.98 0.00 0.00 0.00 179.25 180.19 1o8t h MET 60 N -1.18 0.00 0.00 0.00 -1.53 -1.27 -2.26 114.93 108.69 1o8t h MET 60 Ca -0.11 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.15 1o8t h MET 60 Cb 0.81 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.86 1o8t h MET 60 CO 0.18 0.00 0.00 1.03 0.14 0.00 0.00 176.91 178.26 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.54 0.12 113.55 114.38 1o8t h SER 61 Ca 0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 1o8t h SER 61 Cb 0.08 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 -2.29 0.35 -0.53 0.00 0.00 176.83 174.36 1o8t n THR 62 N -2.86 1.53 0.29 2.23 -2.24 -0.85 -4.33 114.28 108.04 1o8t n THR 62 Ca -0.00 -0.31 0.13 0.00 -2.27 0.00 0.00 64.05 61.60 1o8t n THR 62 Cb 0.22 -1.93 0.63 0.00 -2.10 0.00 0.00 70.33 67.14 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 0.31 4.78 0.05 -1.57 -1.18 116.97 118.37 1o8t h TYR 63 Ca -0.62 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.15 1o8t h TYR 63 Cb 1.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.28 1o8t h TYR 63 CO -0.09 0.00 -0.15 1.15 -1.05 0.00 0.00 178.16 178.01 1o8t h THR 64 N 0.00 0.57 -0.38 -2.88 2.02 -1.16 0.68 112.91 111.76 1o8t h THR 64 Ca 0.00 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 1o8t h THR 64 Cb 0.21 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1o8t h THR 64 CO 0.00 0.12 -0.15 1.23 0.37 0.00 0.00 175.52 177.09 1o8t h GLY 65 N -0.89 0.75 0.83 2.16 0.00 -1.71 -2.11 103.07 102.10 1o8t h GLY 65 Ca -0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1o8t h GLY 65 CO 0.07 0.53 -0.33 -2.22 0.00 0.00 0.00 176.54 174.60 1o8t h ILE 66 N 0.63 0.21 -0.13 2.60 1.08 -1.21 0.11 117.51 120.79 1o8t h ILE 66 Ca 0.10 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1o8t h ILE 66 Cb 0.61 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 34.56 1o8t h ILE 66 CO 0.04 0.02 -0.39 -0.26 -0.69 0.00 0.00 178.15 176.87 1o8t h PHE 67 N -1.10 -1.11 0.00 1.37 0.04 0.38 0.38 116.94 116.90 1o8t h PHE 67 Ca -0.09 0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 1o8t h PHE 67 Cb 0.74 0.51 -0.00 0.00 2.20 0.00 0.00 35.95 39.39 1o8t h PHE 67 CO -0.00 -0.45 -0.01 1.79 -0.60 0.00 0.00 178.31 179.04 1o8t h THR 68 N -0.46 0.03 0.48 -1.55 1.35 -1.43 -3.03 112.91 108.30 1o8t h THR 68 Ca 0.08 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.68 1o8t h THR 68 Cb 0.61 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1o8t h THR 68 CO -0.39 0.01 -0.37 -0.78 -0.25 0.00 0.00 175.52 173.74 1o8t h ASP 69 N 0.00 -0.98 0.72 5.36 1.82 0.15 0.22 116.42 123.71 1o8t h ASP 69 Ca -0.00 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.66 1o8t h ASP 69 Cb 0.24 0.31 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1o8t h ASP 69 CO 0.00 -0.55 -0.27 1.56 -1.61 0.00 0.00 179.24 178.38 1o8t h GLN 70 N -0.84 0.00 0.30 0.28 4.20 -1.47 -1.85 115.11 115.72 1o8t h GLN 70 Ca -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1o8t h GLN 70 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1o8t h GLN 70 CO 0.00 0.27 -0.14 0.28 -0.67 0.00 0.00 178.83 178.56 1o8t h VAL 71 N 0.00 0.69 -0.70 -0.54 2.07 -1.34 -2.38 116.25 114.05 1o8t h VAL 71 Ca -0.00 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 66.93 1o8t h VAL 71 Cb 0.70 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1o8t h VAL 71 CO 0.03 0.12 0.46 0.25 0.02 0.00 0.00 177.57 178.46 1o8t h LEU 72 N -0.79 0.59 -1.27 2.57 6.46 -0.54 0.01 115.31 122.35 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1o8t h LEU 72 Cb 0.51 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 1o8t h LEU 72 CO 0.07 0.37 0.52 -1.28 -0.62 0.00 0.00 178.44 177.50 1o8t h SER 73 N 0.67 0.79 1.11 1.25 0.87 -1.14 0.14 113.55 117.24 1o8t h SER 73 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1o8t h SER 73 Cb 0.34 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1o8t h SER 73 CO -0.10 0.52 0.00 0.58 -0.53 0.00 0.00 176.83 177.30 1o8t h VAL 74 N 0.90 0.00 -0.46 2.23 2.07 -0.47 -2.86 116.25 117.67 1o8t h VAL 74 Ca 0.33 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1o8t h VAL 74 Cb 0.17 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1o8t h VAL 74 CO -0.11 0.00 0.04 0.25 0.02 0.00 0.00 177.57 177.77 1o8t h LEU 75 N 0.00 0.68 -0.45 2.57 6.46 -0.48 -2.52 115.31 121.57 1o8t h LEU 75 Ca 0.00 -0.14 -0.17 0.00 -0.12 0.00 0.00 57.88 57.45 1o8t h LEU 75 Cb 0.55 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1o8t h LEU 75 CO 0.00 0.72 -0.55 0.50 -0.62 0.00 0.00 178.44 178.50 1o8t h LYS 76 N 0.69 0.66 -4.41 1.25 3.11 -1.48 -1.36 116.57 115.04 1o8t h LYS 76 Ca 0.14 -0.42 -0.73 0.00 -2.81 0.00 0.00 60.65 56.84 1o8t h LYS 76 Cb 0.36 0.05 -0.13 0.00 -1.00 0.00 0.00 32.23 31.51 1o8t h LYS 76 CO 0.01 1.04 1.98 0.41 -2.81 0.00 0.00 179.45 180.07 1o8t n GLY 77 N 0.29 3.86 2.48 5.01 0.00 -0.97 -4.45 105.19 111.41 1o8t n GLY 77 Ca -0.03 -1.89 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 1o8t n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o8t n GLU 78 N 5.56 -2.16 -0.85 1.61 4.71 -1.26 -4.94 120.64 123.31 1o8t n GLU 78 Ca 0.42 0.91 0.00 0.00 -0.01 0.00 0.00 57.16 58.48 1o8t n GLU 78 Cb 0.41 -5.50 0.00 0.00 -1.01 0.00 0.00 31.44 25.34 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31