#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1a n PHE 2 N 0.00 0.00 -0.06 1.61 3.72 -1.26 -1.77 117.46 119.70 2p1a n PHE 2 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2p1a n PHE 2 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 2p1a n PHE 2 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2p1a h VAL 3 N 0.00 1.26 -0.68 -4.37 2.07 -1.99 -2.30 116.25 110.24 2p1a h VAL 3 Ca 0.00 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.66 2p1a h VAL 3 Cb 0.00 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2p1a h VAL 3 CO 0.00 0.26 0.45 1.56 0.02 0.00 0.00 177.57 179.86 2p1a h GLN 4 N 0.06 0.89 -0.22 1.57 7.50 -1.76 -0.64 115.11 122.51 2p1a h GLN 4 Ca 0.05 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 2p1a h GLN 4 Cb 0.39 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.71 2p1a h GLN 4 CO 0.01 0.59 0.09 0.77 -1.50 0.00 0.00 178.83 178.79 2p1a h SER 5 N 0.92 0.30 -0.61 1.46 0.02 -1.80 -0.86 113.55 112.97 2p1a h SER 5 Ca 0.25 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2p1a h SER 5 Cb -0.10 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2p1a h SER 5 CO -0.05 0.37 0.26 0.00 -1.14 0.00 0.00 176.83 176.26 2p1a h ALA 6 N 0.94 0.79 -0.17 3.77 0.00 -1.00 -2.32 119.26 121.27 2p1a h ALA 6 Ca 0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2p1a h ALA 6 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2p1a h ALA 6 CO -0.01 0.40 -0.36 -0.07 0.00 0.00 0.00 179.25 179.21 2p1a h LEU 7 N 0.85 0.37 -0.44 0.00 3.38 -1.07 -2.51 115.31 115.89 2p1a h LEU 7 Ca 0.21 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2p1a h LEU 7 Cb 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2p1a h LEU 7 CO -0.02 0.70 -0.19 -0.74 0.09 0.00 0.00 178.44 178.28 2p1a h HIS 8 N 0.30 1.04 -0.80 1.13 2.76 -0.96 0.10 115.15 118.73 2p1a h HIS 8 Ca 0.03 -0.25 -0.03 0.00 -2.20 0.00 0.00 60.37 57.92 2p1a h HIS 8 Cb 0.78 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.46 2p1a h HIS 8 CO 0.02 1.05 0.37 1.96 -1.30 0.00 0.00 177.93 180.02 2p1a h GLN 9 N 0.74 1.15 -0.07 5.26 1.08 -1.38 0.35 115.11 122.25 2p1a h GLN 9 Ca 0.10 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2p1a h GLN 9 Cb 0.76 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2p1a h GLN 9 CO 0.06 0.90 0.02 1.25 -0.95 0.00 0.00 178.83 180.11 2p1a h LEU 10 N 1.14 0.10 -1.21 1.46 5.85 -1.23 -2.53 115.31 118.88 2p1a h LEU 10 Ca 0.27 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2p1a h LEU 10 Cb 0.14 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2p1a h LEU 10 CO -0.03 0.26 0.54 0.50 -0.34 0.00 0.00 178.44 179.37 2p1a h LYS 11 N -0.07 1.03 -0.69 1.25 1.63 -0.77 -0.14 116.57 118.80 2p1a h LYS 11 Ca 0.02 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2p1a h LYS 11 Cb 0.19 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 2p1a h LYS 11 CO -0.00 0.68 0.45 0.28 -3.45 0.00 0.00 179.45 177.41 2p1a h VAL 12 N 1.06 1.18 -0.60 2.00 2.07 -0.81 0.77 116.25 121.93 2p1a h VAL 12 Ca 0.32 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2p1a h VAL 12 Cb -0.04 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 2p1a h VAL 12 CO -0.08 0.18 0.22 0.00 0.02 0.00 0.00 177.57 177.90 2p1a h ALA 13 N 1.25 0.78 0.53 1.67 0.00 -0.87 -1.61 119.26 121.01 2p1a h ALA 13 Ca 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2p1a h ALA 13 Cb -0.09 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.47 2p1a h ALA 13 CO -0.05 0.42 -0.26 0.28 0.00 0.00 0.00 179.25 179.64 2p1a h VAL 14 N 0.84 0.43 -0.50 0.00 2.07 -0.66 -0.95 116.25 117.49 2p1a h VAL 14 Ca 0.20 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2p1a h VAL 14 Cb 0.24 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2p1a h VAL 14 CO -0.01 0.04 0.25 0.44 0.02 0.00 0.00 177.57 178.30 2p1a h ASP 15 N -0.87 0.36 -0.28 0.57 3.32 -0.88 -1.03 116.42 117.61 2p1a h ASP 15 Ca -0.07 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 2p1a h ASP 15 Cb 0.61 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2p1a h ASP 15 CO 0.12 0.25 -0.16 0.71 -1.72 0.00 0.00 179.24 178.44 2p1a h THR 16 N 0.49 1.26 -0.31 0.35 1.35 -1.31 -1.67 112.91 113.07 2p1a h THR 16 Ca 0.22 -1.23 -0.06 0.00 -0.55 0.00 0.00 66.41 64.79 2p1a h THR 16 Cb 0.13 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 2p1a h THR 16 CO -0.16 0.41 -0.07 0.28 -0.25 0.00 0.00 175.52 175.73 2p1a h SER 17 N 0.65 0.49 -0.37 5.36 0.02 -0.69 -3.00 113.55 116.01 2p1a h SER 17 Ca 0.10 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2p1a h SER 17 Cb 0.64 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2p1a h SER 17 CO 0.04 0.61 -0.38 0.40 -1.14 0.00 0.00 176.83 176.37 2p1a h ILE 18 N 0.48 1.27 0.00 3.27 2.04 -0.88 -1.31 117.51 122.39 2p1a h ILE 18 Ca 0.09 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.41 2p1a h ILE 18 Cb 0.43 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2p1a h ILE 18 CO 0.02 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.69 2p1a n GLN 19 N -4.09 0.48 0.00 2.37 6.02 -0.66 -2.68 117.38 118.83 2p1a n GLN 19 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2p1a n GLN 19 Cb 0.54 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.55 2p1a n GLN 19 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2p1a n LEU 21 N 0.57 0.00 0.28 1.08 7.94 -0.50 -3.56 117.00 122.82 2p1a n LEU 21 Ca 0.00 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.07 2p1a n LEU 21 Cb 0.20 0.00 0.70 0.00 0.53 0.00 0.00 43.42 44.84 2p1a n LEU 21 CO 0.00 0.00 0.99 0.44 -1.11 0.00 0.00 177.39 177.71 2p1a h ASP 22 N 0.00 0.00 0.28 1.96 3.32 -1.79 -3.03 116.42 117.17 2p1a h ASP 22 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2p1a h ASP 22 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2p1a h ASP 22 CO 0.00 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 2p1a n GLN 23 N -3.13 0.56 -4.25 3.56 1.13 -1.23 -4.82 117.38 109.19 2p1a n GLN 23 Ca 0.00 0.03 -0.14 0.00 -1.94 0.00 0.00 57.00 54.95 2p1a n GLN 23 Cb 0.30 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.05 2p1a n GLN 23 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2p1a s TYR 24 N -2.34 1.26 0.36 1.08 2.02 -1.14 -5.05 117.35 113.55 2p1a s TYR 24 Ca 0.31 -0.83 0.08 0.00 -0.37 0.00 0.00 57.07 56.26 2p1a s TYR 24 Cb 0.18 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 2p1a s TYR 24 CO 0.36 0.01 0.20 0.95 -1.57 0.00 0.00 175.55 175.50 2p1a s THR 25 N -3.41 2.91 0.27 -0.71 -4.23 -1.26 -4.98 115.64 104.23 2p1a s THR 25 Ca 0.19 -1.60 -0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2p1a s THR 25 Cb 0.04 -3.01 0.25 0.00 1.34 0.00 0.00 72.50 71.12 2p1a s THR 25 CO 0.02 -0.12 1.79 -0.08 -0.54 0.00 0.00 174.62 175.68 2p1a h GLU 26 N 1.41 0.74 -0.29 3.99 4.81 -2.00 -2.17 114.58 121.07 2p1a h GLU 26 Ca -0.43 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 2p1a h GLU 26 Cb 1.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2p1a h GLU 26 CO 0.63 0.49 0.05 0.82 -0.73 0.00 0.00 179.01 180.26 2p1a h ILE 27 N 0.77 1.23 -0.68 2.32 5.03 -1.99 -2.14 117.51 122.05 2p1a h ILE 27 Ca 0.47 -0.81 0.11 0.00 -0.12 0.00 0.00 64.86 64.51 2p1a h ILE 27 Cb 0.59 1.20 -0.08 0.00 -3.03 0.00 0.00 36.82 35.50 2p1a h ILE 27 CO -0.32 0.26 0.29 0.44 -0.68 0.00 0.00 178.15 178.14 2p1a h ASP 28 N 0.31 0.32 -0.15 1.72 3.32 -1.80 0.22 116.42 120.36 2p1a h ASP 28 Ca 0.09 0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 2p1a h ASP 28 Cb 0.34 0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.94 2p1a h ASP 28 CO 0.01 0.17 -0.60 -0.07 -1.72 0.00 0.00 179.24 177.03 2p1a h LEU 29 N 0.48 0.78 -0.28 1.55 3.38 -1.39 -2.38 115.31 117.45 2p1a h LEU 29 Ca 0.35 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 2p1a h LEU 29 Cb 0.44 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2p1a h LEU 29 CO -0.32 1.27 -0.26 0.11 0.09 0.00 0.00 178.44 179.33 2p1a h LYS 30 N 0.34 0.67 0.00 1.13 1.57 -1.24 -2.99 116.57 116.05 2p1a h LYS 30 Ca -0.03 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.30 2p1a h LYS 30 Cb 1.23 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 2p1a h LYS 30 CO 0.13 0.95 -0.45 0.82 -0.57 0.00 0.00 179.45 180.33 2p1a h ILE 31 N 0.41 0.84 -1.87 1.86 5.03 -1.04 -3.46 117.51 119.28 2p1a h ILE 31 Ca 0.05 -1.99 -0.66 0.00 -0.12 0.00 0.00 64.86 62.14 2p1a h ILE 31 Cb 0.82 2.27 0.07 0.00 -3.03 0.00 0.00 36.82 36.95 2p1a h ILE 31 CO 0.07 0.45 0.41 0.00 -0.68 0.00 0.00 178.15 178.39 2p1a n ALA 32 N -2.24 -0.66 0.17 1.87 0.00 -0.90 -4.93 120.51 113.83 2p1a n ALA 32 Ca 0.01 0.49 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 2p1a n ALA 32 Cb 0.66 -2.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.96 2p1a n ALA 32 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2p1a h PRO 33 N 4.14 -0.42 0.00 0.00 0.13 -1.92 -3.45 132.00 130.48 2p1a h PRO 33 Ca -0.46 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2p1a h PRO 33 Cb 1.33 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2p1a h PRO 33 CO 0.75 -0.28 0.00 -0.89 -0.23 0.00 0.00 178.00 177.35 2p1a n ILE 34 N -5.30 0.00 0.00 -3.56 2.08 -1.26 -4.71 119.36 106.60 2p1a n ILE 34 Ca -0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2p1a n ILE 34 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.11 2p1a n ILE 34 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2p1a n GLN 35 N 0.00 0.00 -0.83 0.38 10.64 -1.26 -5.10 117.38 121.21 2p1a n GLN 35 Ca 0.00 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.86 2p1a n GLN 35 Cb 0.00 0.00 0.15 0.00 -0.86 0.00 0.00 30.24 29.53 2p1a n GLN 35 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2p1a s SER 36 N 0.00 3.16 0.58 2.61 0.01 -1.26 -4.94 113.70 113.86 2p1a s SER 36 Ca 0.00 2.05 0.28 0.00 1.31 0.00 0.00 55.95 59.59 2p1a s SER 36 Cb 0.00 -2.53 1.60 0.00 0.21 0.00 0.00 66.02 65.31 2p1a s SER 36 CO 0.00 -2.93 2.06 0.07 0.41 0.00 0.00 173.24 172.85 2p1a h LYS 37 N -1.75 0.00 -5.69 12.44 5.09 -1.99 -3.43 116.57 121.25 2p1a h LYS 37 Ca -0.45 0.00 -0.47 0.00 0.09 0.00 0.00 60.65 59.82 2p1a h LYS 37 Cb 1.26 0.00 -0.18 0.00 0.10 0.00 0.00 32.23 33.42 2p1a h LYS 37 CO 0.45 0.00 -0.77 -0.98 -2.09 0.00 0.00 179.45 176.06 2p1a s ARG 38 N -4.66 1.18 0.75 0.07 1.70 -1.26 -5.16 118.95 111.56 2p1a s ARG 38 Ca -0.05 -1.36 -0.11 0.00 -0.47 0.00 0.00 55.73 53.74 2p1a s ARG 38 Cb 0.16 -1.13 0.04 0.00 -0.57 0.00 0.00 34.95 33.44 2p1a s ARG 38 CO 0.56 0.22 1.10 -1.54 -1.08 0.00 0.00 175.30 174.56 2p1a s SER 39 N -2.65 5.00 0.53 -2.89 1.04 -1.26 -4.94 113.70 108.53 2p1a s SER 39 Ca 0.14 1.18 0.19 0.00 0.48 0.00 0.00 55.95 57.94 2p1a s SER 39 Cb -0.05 -1.93 1.36 0.00 0.10 0.00 0.00 66.02 65.50 2p1a s SER 39 CO 0.05 -1.63 2.14 -0.07 0.98 0.00 0.00 173.24 174.71 2p1a h LEU 40 N -0.86 0.00 0.24 2.42 3.38 -1.84 -2.23 115.31 116.43 2p1a h LEU 40 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2p1a h LEU 40 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2p1a h LEU 40 CO 0.62 0.00 -0.11 0.15 0.09 0.00 0.00 178.44 179.19 2p1a h PHE 41 N 0.00 -0.29 0.00 1.13 3.57 -1.89 -2.09 116.94 117.36 2p1a h PHE 41 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2p1a h PHE 41 Cb 0.14 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2p1a h PHE 41 CO 0.00 -0.02 0.00 0.39 -2.23 0.00 0.00 178.31 176.45 2p1a n GLU 42 N -5.13 0.00 0.00 1.11 1.02 -0.84 -0.86 120.64 115.94 2p1a n GLU 42 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2p1a n GLU 42 Cb 0.22 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2p1a n GLU 42 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2p1a n TYR 44 N 0.75 0.00 -0.20 -0.32 4.19 -0.79 -1.55 117.16 119.25 2p1a n TYR 44 Ca 0.00 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.15 2p1a n TYR 44 Cb 0.00 0.00 0.03 0.00 0.49 0.00 0.00 39.34 39.86 2p1a n TYR 44 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2p1a h ALA 45 N 0.00 0.73 -0.53 2.98 0.00 -1.27 -1.39 119.26 119.78 2p1a h ALA 45 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2p1a h ALA 45 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2p1a h ALA 45 CO 0.00 0.16 -0.04 0.45 0.00 0.00 0.00 179.25 179.82 2p1a h HIS 46 N 0.77 1.01 -0.94 0.00 3.86 -1.55 -2.75 115.15 115.55 2p1a h HIS 46 Ca 0.21 -0.17 0.06 0.00 -1.16 0.00 0.00 60.37 59.31 2p1a h HIS 46 Cb -0.08 -0.26 -0.06 0.00 1.06 0.00 0.00 27.41 28.06 2p1a h HIS 46 CO -0.04 0.92 0.60 1.25 0.86 0.00 0.00 177.93 181.53 2p1a h LEU 47 N 0.85 0.97 -1.84 2.43 5.85 -1.76 -1.83 115.31 119.98 2p1a h LEU 47 Ca 0.15 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2p1a h LEU 47 Cb 0.55 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2p1a h LEU 47 CO 0.03 0.63 -0.08 0.77 -0.34 0.00 0.00 178.44 179.46 2p1a h SER 48 N 1.12 0.00 0.30 1.25 4.64 -0.97 -2.77 113.55 117.13 2p1a h SER 48 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2p1a h SER 48 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2p1a h SER 48 CO -0.16 0.08 -0.35 0.18 -0.87 0.00 0.00 176.83 175.71 2p1a n LEU 49 N -3.32 0.89 0.03 5.97 4.77 -0.70 -4.53 117.00 120.11 2p1a n LEU 49 Ca -0.01 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 2p1a n LEU 49 Cb 0.26 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2p1a n LEU 49 CO 0.28 0.18 0.80 0.40 -1.33 0.00 0.00 177.39 177.72 2p1a h ILE 50 N 0.85 0.75 -0.49 -0.08 2.04 -1.37 0.14 117.51 119.35 2p1a h ILE 50 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2p1a h ILE 50 Cb 0.51 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2p1a h ILE 50 CO 0.00 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.42 2p1a h HIS 52 N 0.53 -0.19 0.46 0.00 3.86 -1.74 -2.65 115.15 115.43 2p1a h HIS 52 Ca 0.21 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 2p1a h HIS 52 Cb 0.07 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2p1a h HIS 52 CO -0.08 0.09 -0.29 0.00 0.86 0.00 0.00 177.93 178.52 2p1a h ALA 53 N 0.33 -0.72 0.00 2.45 0.00 -0.86 -1.19 119.26 119.26 2p1a h ALA 53 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2p1a h ALA 53 Cb 0.37 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2p1a h ALA 53 CO 0.03 -0.92 -0.06 -0.44 0.00 0.00 0.00 179.25 177.87 2p1a h ASP 54 N -0.71 0.00 -0.39 0.00 3.32 -1.35 0.71 116.42 117.99 2p1a h ASP 54 Ca -0.05 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.86 2p1a h ASP 54 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2p1a h ASP 54 CO 0.05 0.06 -0.30 0.25 -1.72 0.00 0.00 179.24 177.58 2p1a h LEU 55 N 0.00 0.94 -0.54 1.55 5.85 -1.13 -1.87 115.31 120.12 2p1a h LEU 55 Ca -0.00 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2p1a h LEU 55 Cb 0.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2p1a h LEU 55 CO 0.01 1.19 0.27 -0.07 -0.34 0.00 0.00 178.44 179.49 2p1a h LEU 56 N 0.71 0.69 -0.27 2.25 -0.00 -0.10 -1.74 115.31 116.86 2p1a h LEU 56 Ca 0.07 -0.12 0.04 0.00 -0.00 0.00 0.00 57.88 57.88 2p1a h LEU 56 Cb 0.88 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.33 2p1a h LEU 56 CO 0.08 0.62 0.02 0.40 -0.00 0.00 0.00 178.44 179.55 2p1a h ILE 57 N 0.72 0.82 -0.90 1.22 2.04 -0.82 -1.43 117.51 119.17 2p1a h ILE 57 Ca 0.19 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.09 2p1a h ILE 57 Cb 0.10 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 2p1a h ILE 57 CO -0.03 0.02 0.58 0.25 0.00 0.00 0.00 178.15 178.97 2p1a h LEU 58 N 0.10 0.84 -2.78 1.44 5.85 -1.22 -2.62 115.31 116.92 2p1a h LEU 58 Ca 0.13 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.67 2p1a h LEU 58 Cb 0.16 -0.16 -0.12 0.00 0.37 0.00 0.00 40.66 40.91 2p1a h LEU 58 CO -0.20 0.52 0.25 0.59 -0.34 0.00 0.00 178.44 179.25 2p1a n ASN 59 N -4.51 3.31 -0.18 1.25 3.02 -0.66 -4.89 115.26 112.60 2p1a n ASN 59 Ca 0.15 -2.68 -0.02 0.00 -0.03 0.00 0.00 54.58 52.00 2p1a n ASN 59 Cb 0.26 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.78 2p1a n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p1a n GLY 60 N -0.16 0.57 3.77 7.41 0.00 -0.99 -5.00 105.19 110.80 2p1a n GLY 60 Ca 0.25 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2p1a n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2p1a s SER 61 N -2.65 6.48 0.74 1.61 0.01 -0.61 -4.97 113.70 114.30 2p1a s SER 61 Ca 0.00 2.66 -0.11 0.00 1.31 0.00 0.00 55.95 59.81 2p1a s SER 61 Cb 0.00 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.62 2p1a s SER 61 CO 0.00 -0.74 1.09 0.42 0.41 0.00 0.00 173.24 174.43 2p1a s THR 62 N -1.22 3.42 0.11 1.44 -4.23 -1.26 -4.44 115.64 109.46 2p1a s THR 62 Ca 0.54 0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 61.26 2p1a s THR 62 Cb -0.38 -3.34 -0.07 0.00 1.34 0.00 0.00 72.50 70.05 2p1a s THR 62 CO 0.50 -0.60 1.66 -0.08 -0.54 0.00 0.00 174.62 175.56 2p1a h GLU 63 N -0.82 -0.34 -0.73 3.99 4.81 -1.94 -2.21 114.58 117.34 2p1a h GLU 63 Ca -0.46 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 58.96 2p1a h GLU 63 Cb 1.25 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.59 2p1a h GLU 63 CO 0.61 -0.22 0.03 -0.22 -0.73 0.00 0.00 179.01 178.48 2p1a h LYS 64 N -0.35 0.12 -0.59 1.92 3.64 -1.99 0.13 116.57 119.46 2p1a h LYS 64 Ca 0.04 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2p1a h LYS 64 Cb 0.40 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 2p1a h LYS 64 CO -0.15 0.08 0.26 1.49 -2.27 0.00 0.00 179.45 178.86 2p1a h GLU 65 N 0.13 0.86 -0.53 1.90 4.81 -1.88 -0.19 114.58 119.68 2p1a h GLU 65 Ca 0.40 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 2p1a h GLU 65 Cb 0.69 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2p1a h GLU 65 CO -0.62 0.72 0.19 -0.07 -0.73 0.00 0.00 179.01 178.50 2p1a h LEU 66 N 0.80 0.75 -0.53 1.64 -0.00 -0.50 0.26 115.31 117.74 2p1a h LEU 66 Ca 0.20 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2p1a h LEU 66 Cb 0.16 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 2p1a h LEU 66 CO -0.02 0.73 0.33 0.45 -0.00 0.00 0.00 178.44 179.93 2p1a h HIS 67 N 0.73 0.68 -0.64 1.13 3.86 -0.62 0.71 115.15 121.00 2p1a h HIS 67 Ca 0.18 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.33 2p1a h HIS 67 Cb 0.23 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 2p1a h HIS 67 CO 0.01 0.46 0.18 1.15 0.86 0.00 0.00 177.93 180.59 2p1a h THR 68 N 0.71 1.25 0.19 2.45 2.02 -0.92 -0.66 112.91 117.96 2p1a h THR 68 Ca 0.19 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 2p1a h THR 68 Cb -0.04 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2p1a h THR 68 CO -0.04 0.34 -0.14 0.15 0.37 0.00 0.00 175.52 176.20 2p1a h PHE 69 N 0.93 -0.36 -0.72 3.16 3.57 0.12 0.79 116.94 124.42 2p1a h PHE 69 Ca 0.20 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 2p1a h PHE 69 Cb 0.32 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2p1a h PHE 69 CO 0.02 -0.22 0.31 1.88 -2.23 0.00 0.00 178.31 178.07 2p1a h TYR 70 N -0.34 1.08 0.03 0.41 0.05 -0.88 0.72 116.97 118.04 2p1a h TYR 70 Ca -0.01 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.71 2p1a h TYR 70 Cb 0.30 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 2p1a h TYR 70 CO -0.10 0.82 -0.10 0.87 -1.05 0.00 0.00 178.16 178.59 2p1a h LYS 71 N 1.02 -0.19 0.00 4.88 1.79 -0.79 -3.19 116.57 120.10 2p1a h LYS 71 Ca 0.24 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2p1a h LYS 71 Cb 0.18 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2p1a h LYS 71 CO -0.02 -0.12 -0.88 -0.85 -1.08 0.00 0.00 179.45 176.50 2p1a n GLU 72 N -5.23 0.13 0.00 3.15 0.28 0.24 -4.57 120.64 114.64 2p1a n GLU 72 Ca -0.06 -0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.94 2p1a n GLU 72 Cb 0.15 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.49 2p1a n GLU 72 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2p1a n GLN 73 N -1.70 0.77 -1.78 3.44 6.02 0.24 -5.02 117.38 119.35 2p1a n GLN 73 Ca 0.03 -0.50 -0.42 0.00 -0.01 0.00 0.00 57.00 56.11 2p1a n GLN 73 Cb 0.38 -0.95 -0.03 0.00 1.02 0.00 0.00 30.24 30.66 2p1a n GLN 73 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2p1a s THR 74 N -0.39 3.14 0.35 5.09 2.01 -1.20 -4.92 115.64 119.71 2p1a s THR 74 Ca 0.02 0.24 -0.26 0.00 0.31 0.00 0.00 61.69 62.00 2p1a s THR 74 Cb 0.02 -3.15 -0.13 0.00 0.01 0.00 0.00 72.50 69.24 2p1a s THR 74 CO 0.04 -0.02 0.87 -2.65 -0.69 0.00 0.00 174.62 172.17 2p1a n PRO 75 N 7.17 1.09 -0.05 4.92 -0.02 -1.26 -4.95 135.00 141.90 2p1a n PRO 75 Ca 0.19 0.39 0.05 0.00 -2.02 0.00 0.00 63.50 62.11 2p1a n PRO 75 Cb 0.41 -1.77 0.07 0.00 -0.02 0.00 0.00 33.50 32.20 2p1a n PRO 75 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2p1a n GLU 76 N 0.55 1.12 -3.85 -0.52 1.02 -1.26 -4.87 120.64 112.83 2p1a n GLU 76 Ca 0.10 -1.37 -0.10 0.00 -0.02 0.00 0.00 57.16 55.77 2p1a n GLU 76 Cb 0.35 -1.22 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 2p1a n GLU 76 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2p1a s THR 77 N -0.92 0.13 0.41 2.62 -1.32 -1.26 -5.05 115.64 110.24 2p1a s THR 77 Ca 0.15 -1.03 0.16 0.00 -1.21 0.00 0.00 61.69 59.76 2p1a s THR 77 Cb 0.10 -1.13 0.16 0.00 -1.51 0.00 0.00 72.50 70.12 2p1a s THR 77 CO 0.14 -0.57 1.94 0.40 -2.21 0.00 0.00 174.62 174.31 2p1a h ILE 78 N 3.09 1.09 -0.00 5.08 2.04 -2.00 -3.01 117.51 123.79 2p1a h ILE 78 Ca -0.33 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 2p1a h ILE 78 Cb 1.20 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2p1a h ILE 78 CO 0.52 0.24 -0.00 0.00 0.00 0.00 0.00 178.15 178.92 2p1a h ALA 79 N 1.75 0.00 0.00 1.87 0.00 -2.01 -2.27 119.26 118.60 2p1a h ALA 79 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2p1a h ALA 79 Cb 0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2p1a h ALA 79 CO 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 179.25 178.96 2p1a n GLN 80 N -4.92 0.69 0.00 0.00 10.64 -1.14 -1.07 117.38 121.57 2p1a n GLN 80 Ca -0.08 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.03 2p1a n GLN 80 Cb 0.19 -1.25 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 2p1a n GLN 80 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2p1a n GLN 82 N 1.79 0.00 -0.10 2.61 6.02 -0.86 -1.26 117.38 125.59 2p1a n GLN 82 Ca 0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.92 2p1a n GLN 82 Cb 0.34 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.58 2p1a n GLN 82 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2p1a h LYS 83 N 0.00 0.46 -0.62 -1.09 1.57 -1.38 -2.43 116.57 113.08 2p1a h LYS 83 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2p1a h LYS 83 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2p1a h LYS 83 CO 0.00 0.45 0.00 2.41 -0.57 0.00 0.00 179.45 181.74 2p1a n THR 84 N -4.75 0.05 0.00 -0.16 -1.04 -0.39 -1.73 114.28 106.27 2p1a n THR 84 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2p1a n THR 84 Cb 0.12 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 2p1a n THR 84 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2p1a n ILE 86 N 0.55 0.00 -0.23 12.58 2.08 -0.92 -0.73 119.36 132.70 2p1a n ILE 86 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 2p1a n ILE 86 Cb 0.05 0.00 0.14 0.00 -0.75 0.00 0.00 39.64 39.09 2p1a n ILE 86 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2p1a h GLN 87 N 0.00 1.05 -0.46 0.38 4.20 -1.60 -0.92 115.11 117.75 2p1a h GLN 87 Ca 0.00 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 2p1a h GLN 87 Cb 0.00 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 2p1a h GLN 87 CO 0.00 0.83 0.00 0.78 -0.67 0.00 0.00 178.83 179.77 2p1a h GLY 88 N 1.09 0.88 0.96 3.46 0.00 -1.19 -1.65 103.07 106.62 2p1a h GLY 88 Ca 0.24 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2p1a h GLY 88 CO -0.03 0.59 0.10 -1.82 0.00 0.00 0.00 176.54 175.39 2p1a h TYR 89 N 0.67 0.22 -0.62 5.60 3.20 -1.76 -0.62 116.97 123.67 2p1a h TYR 89 Ca 0.13 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.05 2p1a h TYR 89 Cb 0.50 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 2p1a h TYR 89 CO 0.04 0.20 0.34 -0.44 -1.64 0.00 0.00 178.16 176.66 2p1a h ASP 90 N 0.19 0.51 -0.48 -2.11 5.19 -1.09 0.16 116.42 118.80 2p1a h ASP 90 Ca 0.06 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 2p1a h ASP 90 Cb 0.04 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 2p1a h ASP 90 CO -0.01 0.34 -0.08 0.25 -3.12 0.00 0.00 179.24 176.62 2p1a h LEU 91 N 0.65 0.89 -0.30 1.55 5.85 -1.14 -1.04 115.31 121.77 2p1a h LEU 91 Ca 0.27 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2p1a h LEU 91 Cb 0.15 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2p1a h LEU 91 CO -0.16 1.03 0.03 0.25 -0.34 0.00 0.00 178.44 179.24 2p1a h LEU 92 N 0.74 0.50 -0.06 2.25 5.85 -0.78 -1.99 115.31 121.83 2p1a h LEU 92 Ca 0.13 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2p1a h LEU 92 Cb 0.62 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2p1a h LEU 92 CO 0.04 0.66 -0.02 0.77 -0.34 0.00 0.00 178.44 179.55 2p1a h SER 93 N 0.33 0.11 -0.99 1.25 4.64 -0.63 -0.95 113.55 117.31 2p1a h SER 93 Ca 0.09 -0.38 0.11 0.00 -0.47 0.00 0.00 61.79 61.14 2p1a h SER 93 Cb 0.38 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.36 2p1a h SER 93 CO 0.01 0.47 0.63 0.11 -0.87 0.00 0.00 176.83 177.18 2p1a h LYS 94 N -0.25 0.96 0.38 4.77 1.79 -1.23 0.15 116.57 123.15 2p1a h LYS 94 Ca 0.01 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2p1a h LYS 94 Cb 0.42 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2p1a h LYS 94 CO 0.01 0.63 -0.18 1.15 -1.08 0.00 0.00 179.45 179.98 2p1a h THR 95 N 0.99 0.59 -0.18 -0.16 2.02 -1.27 -2.61 112.91 112.30 2p1a h THR 95 Ca 0.48 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2p1a h THR 95 Cb 0.47 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2p1a h THR 95 CO -0.24 0.08 -0.02 -0.26 0.37 0.00 0.00 175.52 175.44 2p1a h PHE 96 N -0.77 0.26 0.00 3.16 -1.00 -0.43 -1.49 116.94 116.66 2p1a h PHE 96 Ca -0.05 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.71 2p1a h PHE 96 Cb 0.52 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.00 2p1a h PHE 96 CO 0.01 0.29 0.00 -0.07 -1.61 0.00 0.00 178.31 176.93 2p1a h LEU 97 N 0.25 0.00 0.00 1.54 3.38 -0.76 -2.92 115.31 116.80 2p1a h LEU 97 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2p1a h LEU 97 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2p1a h LEU 97 CO 0.01 0.00 -0.19 0.77 0.09 0.00 0.00 178.44 179.11 2p1a h SER 98 N 0.00 0.00 -3.63 -0.43 4.64 -0.86 -3.47 113.55 109.80 2p1a h SER 98 Ca 0.00 -0.02 -0.51 0.00 -0.47 0.00 0.00 61.79 60.79 2p1a h SER 98 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2p1a h SER 98 CO 0.00 0.01 0.35 -0.31 -0.87 0.00 0.00 176.83 176.01 2p1a s TYR 99 N -3.19 3.87 0.87 4.77 2.02 -1.11 -5.07 117.35 119.51 2p1a s TYR 99 Ca 0.07 1.83 -0.12 0.00 -0.37 0.00 0.00 57.07 58.48 2p1a s TYR 99 Cb 0.09 -3.02 0.11 0.00 -0.40 0.00 0.00 41.96 38.74 2p1a s TYR 99 CO 0.67 0.30 1.14 -1.54 -1.57 0.00 0.00 175.55 174.55 2p1a s SER 100 N -0.42 3.93 0.39 2.29 1.04 -1.26 -4.80 113.70 114.87 2p1a s SER 100 Ca 0.45 0.97 0.08 0.00 0.48 0.00 0.00 55.95 57.93 2p1a s SER 100 Cb -0.24 -1.55 0.85 0.00 0.10 0.00 0.00 66.02 65.18 2p1a s SER 100 CO 0.30 -2.28 1.98 0.78 0.98 0.00 0.00 173.24 175.00 2p1a h ASN 101 N -1.31 0.54 -0.42 7.02 -0.26 -1.98 0.15 115.58 119.31 2p1a h ASN 101 Ca -0.49 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.17 2p1a h ASN 101 Cb 1.32 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.45 2p1a h ASN 101 CO 0.63 0.35 -0.06 -0.33 -1.06 0.00 0.00 177.43 176.95 2p1a h GLU 102 N 0.61 0.78 -0.56 0.81 3.07 -1.98 -1.24 114.58 116.08 2p1a h GLU 102 Ca 0.27 -0.28 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 2p1a h GLU 102 Cb 0.28 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 2p1a h GLU 102 CO -0.08 0.89 -0.03 1.96 -1.40 0.00 0.00 179.01 180.35 2p1a h GLN 103 N 0.61 1.00 0.00 2.33 4.20 -1.71 -1.99 115.11 119.54 2p1a h GLN 103 Ca 0.11 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 2p1a h GLN 103 Cb 0.58 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2p1a h GLN 103 CO 0.03 0.99 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.99 2p1a h LEU 104 N 0.91 0.00 0.00 1.46 3.38 -0.44 -2.59 115.31 118.03 2p1a h LEU 104 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2p1a h LEU 104 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2p1a h LEU 104 CO 0.03 0.13 -0.48 0.00 0.09 0.00 0.00 178.44 178.21 2p1a h ALA 105 N 1.87 0.69 -3.00 1.53 0.00 -0.90 -1.44 119.26 118.01 2p1a h ALA 105 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2p1a h ALA 105 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2p1a h ALA 105 CO 0.02 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.36 2p1a n GLU 106 N -2.24 1.47 0.00 0.00 4.07 -0.78 -4.62 120.64 118.55 2p1a n GLU 106 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 2p1a n GLU 106 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 2p1a n GLU 106 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2p1a n LYS 108 N 0.00 0.00 -3.73 5.31 4.76 -0.27 -1.46 118.16 122.77 2p1a n LYS 108 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 2p1a n LYS 108 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 2p1a n LYS 108 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2p1a s THR 109 N -1.09 5.07 0.69 -0.18 2.01 -1.26 -1.96 115.64 118.90 2p1a s THR 109 Ca 0.00 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.94 2p1a s THR 109 Cb 0.00 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.17 2p1a s THR 109 CO 0.00 0.35 1.11 0.00 -0.69 0.00 0.00 174.62 175.39 2p1a s ALA 110 N 1.14 2.42 0.46 7.40 0.00 -0.49 -4.79 121.76 127.88 2p1a s ALA 110 Ca 0.06 0.49 0.23 0.00 0.00 0.00 0.00 51.96 52.74 2p1a s ALA 110 Cb -0.14 -3.31 1.23 0.00 0.00 0.00 0.00 23.12 20.90 2p1a s ALA 110 CO 0.05 -1.40 1.85 0.10 0.00 0.00 0.00 175.76 176.36 2p1a h TYR 111 N -0.23 0.37 0.00 0.00 -0.00 -1.83 0.13 116.97 115.41 2p1a h TYR 111 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.28 2p1a h TYR 111 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 36.73 37.86 2p1a h TYR 111 CO 0.55 0.08 0.00 -2.67 -0.00 0.00 0.00 178.16 176.12 2p1a n TRP 112 N -4.44 0.00 -0.73 0.10 2.14 -1.26 -4.92 117.44 108.32 2p1a n TRP 112 Ca 0.20 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.77 2p1a n TRP 112 Cb 0.83 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 31.31 2p1a n TRP 112 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2p1a n GLY 113 N 0.36 1.28 3.81 -1.67 0.00 0.47 -5.03 105.19 104.41 2p1a n GLY 113 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2p1a n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p1a s ILE 114 N -3.63 4.74 0.07 -0.61 -1.09 -1.26 -4.87 121.20 114.55 2p1a s ILE 114 Ca 0.00 1.19 0.07 0.00 -2.23 0.00 0.00 60.65 59.67 2p1a s ILE 114 Cb 0.00 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2p1a s ILE 114 CO 0.00 0.52 -0.13 -0.44 -1.23 0.00 0.00 174.94 173.66 2p1a s SER 115 N -1.18 4.17 0.06 3.58 0.01 -1.26 -1.40 113.70 117.68 2p1a s SER 115 Ca 0.30 -0.39 -0.05 0.00 1.31 0.00 0.00 55.95 57.12 2p1a s SER 115 Cb -0.19 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.26 2p1a s SER 115 CO 0.19 0.22 0.09 -0.31 0.41 0.00 0.00 173.24 173.84 2p1a s TYR 116 N -1.08 0.28 0.74 2.43 1.51 -0.83 -4.99 117.35 115.41 2p1a s TYR 116 Ca 0.18 -0.69 -0.11 0.00 -1.01 0.00 0.00 57.07 55.44 2p1a s TYR 116 Cb -0.11 -0.19 0.04 0.00 -0.11 0.00 0.00 41.96 41.59 2p1a s TYR 116 CO 0.09 -0.43 1.08 -1.54 -1.11 0.00 0.00 175.55 173.65 2p1a s SER 117 N -2.59 5.00 0.25 2.29 1.04 -1.26 -1.11 113.70 117.32 2p1a s SER 117 Ca 0.02 1.44 -0.06 0.00 0.48 0.00 0.00 55.95 57.83 2p1a s SER 117 Cb 0.03 -2.25 0.26 0.00 0.10 0.00 0.00 66.02 64.17 2p1a s SER 117 CO -0.08 -1.66 1.88 0.03 0.98 0.00 0.00 173.24 174.38 2p1a h ARG 118 N -0.87 1.22 -0.27 4.02 3.08 -0.96 -0.65 114.38 119.94 2p1a h ARG 118 Ca -0.45 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.44 2p1a h ARG 118 Cb 1.24 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2p1a h ARG 118 CO 0.59 0.88 0.07 0.35 -1.07 0.00 0.00 179.97 180.78 2p1a h PHE 119 N 1.23 0.45 -0.75 3.04 3.57 -1.58 -1.74 116.94 121.16 2p1a h PHE 119 Ca 0.31 -0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.85 2p1a h PHE 119 Cb 0.00 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.54 2p1a h PHE 119 CO 0.01 0.51 0.39 0.93 -2.23 0.00 0.00 178.31 177.92 2p1a h GLU 120 N 0.26 0.64 -0.38 1.11 5.08 -1.76 -1.95 114.58 117.58 2p1a h GLU 120 Ca 0.08 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2p1a h GLU 120 Cb 0.28 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2p1a h GLU 120 CO 0.00 0.42 -0.07 2.35 -1.00 0.00 0.00 179.01 180.72 2p1a h TRP 121 N 0.66 0.68 -0.87 4.33 2.91 -0.88 -1.68 115.95 121.10 2p1a h TRP 121 Ca 0.37 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 60.29 2p1a h TRP 121 Cb 0.38 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.80 2p1a h TRP 121 CO -0.09 0.69 0.54 1.25 -1.03 0.00 0.00 178.44 179.79 2p1a h LEU 122 N 0.59 1.03 -1.15 0.65 5.85 -0.58 -0.86 115.31 120.85 2p1a h LEU 122 Ca 0.11 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2p1a h LEU 122 Cb 0.48 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2p1a h LEU 122 CO 0.03 0.78 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.56 2p1a h LEU 123 N 1.19 0.24 -1.06 2.25 3.38 -0.96 -2.00 115.31 118.36 2p1a h LEU 123 Ca 0.31 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 2p1a h LEU 123 Cb -0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2p1a h LEU 123 CO -0.06 0.53 -0.29 -0.33 0.09 0.00 0.00 178.44 178.38 2p1a h GLU 124 N 0.22 0.31 -0.16 1.13 4.39 -0.49 -1.20 114.58 118.79 2p1a h GLU 124 Ca 0.03 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2p1a h GLU 124 Cb 0.61 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2p1a h GLU 124 CO 0.04 0.58 -0.01 0.82 -1.16 0.00 0.00 179.01 179.28 2p1a h ILE 125 N 0.28 1.26 -0.17 3.13 1.08 -0.58 -0.44 117.51 122.06 2p1a h ILE 125 Ca 0.04 -0.89 0.04 0.00 -0.39 0.00 0.00 64.86 63.66 2p1a h ILE 125 Cb 0.65 1.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 2p1a h ILE 125 CO 0.05 0.26 -0.05 0.58 -0.69 0.00 0.00 178.15 178.30 2p1a h VAL 126 N 0.02 0.80 -0.44 1.67 2.07 -1.29 -0.20 116.25 118.88 2p1a h VAL 126 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2p1a h VAL 126 Cb 0.40 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2p1a h VAL 126 CO 0.01 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.88 2p1a h ALA 127 N 1.16 0.55 -0.20 1.67 0.00 -1.14 -1.76 119.26 119.54 2p1a h ALA 127 Ca 0.09 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2p1a h ALA 127 Cb 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2p1a h ALA 127 CO -0.19 0.02 -0.06 1.25 0.00 0.00 0.00 179.25 180.28 2p1a h HIS 128 N 0.59 -0.13 -0.15 0.00 6.17 -0.86 0.17 115.15 120.94 2p1a h HIS 128 Ca 0.16 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.24 2p1a h HIS 128 Cb -0.04 0.09 -0.01 0.00 2.52 0.00 0.00 27.41 29.97 2p1a h HIS 128 CO -0.04 -0.10 0.01 0.35 0.71 0.00 0.00 177.93 178.86 2p1a h PHE 129 N -0.01 0.28 -0.40 5.26 3.04 -0.90 -1.32 116.94 122.89 2p1a h PHE 129 Ca 0.10 -0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.92 2p1a h PHE 129 Cb 0.17 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 2p1a h PHE 129 CO -0.23 0.47 -0.11 1.88 -2.02 0.00 0.00 178.31 178.30 2p1a h TYR 130 N 0.01 0.76 0.79 0.41 0.05 -1.23 0.58 116.97 118.34 2p1a h TYR 130 Ca 0.04 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 2p1a h TYR 130 Cb 0.35 -0.20 0.01 0.00 1.01 0.00 0.00 36.73 37.90 2p1a h TYR 130 CO 0.03 0.78 -0.38 1.25 -1.05 0.00 0.00 178.16 178.79 2p1a h HIS 131 N 0.64 -0.99 -0.64 4.88 2.76 -0.51 -0.11 115.15 121.19 2p1a h HIS 131 Ca 0.11 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2p1a h HIS 131 Cb 0.55 0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 2p1a h HIS 131 CO 0.03 -0.61 0.31 0.45 -1.30 0.00 0.00 177.93 176.80 2p1a h HIS 132 N -1.09 0.88 -0.28 5.26 3.86 -1.21 -1.18 115.15 121.39 2p1a h HIS 132 Ca -0.11 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 2p1a h HIS 132 Cb 0.82 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 2p1a h HIS 132 CO -0.02 0.64 -0.10 -0.09 0.86 0.00 0.00 177.93 179.23 2p1a h ARG 133 N 0.89 0.47 -0.37 2.45 2.43 -0.78 -2.60 114.38 116.87 2p1a h ARG 133 Ca 0.22 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 2p1a h ARG 133 Cb 0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2p1a h ARG 133 CO -0.03 0.57 -0.35 0.78 -1.51 0.00 0.00 179.97 179.43 2p1a h GLY 134 N 0.89 0.92 0.94 2.80 0.00 0.16 -0.60 103.07 108.18 2p1a h GLY 134 Ca 0.08 -0.90 0.01 0.00 0.00 0.00 0.00 47.33 46.52 2p1a h GLY 134 CO 0.02 0.82 0.09 1.46 0.00 0.00 0.00 176.54 178.93 2p1a h GLN 135 N 0.70 0.19 0.01 4.80 4.20 -1.15 -2.61 115.11 121.26 2p1a h GLN 135 Ca 0.07 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2p1a h GLN 135 Cb 0.91 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2p1a h GLN 135 CO 0.08 0.12 -0.01 0.82 -0.67 0.00 0.00 178.83 179.18 2p1a h ILE 136 N 0.19 1.06 -0.66 2.54 2.04 -1.46 -2.82 117.51 118.40 2p1a h ILE 136 Ca 0.07 -0.22 0.12 0.00 1.00 0.00 0.00 64.86 65.83 2p1a h ILE 136 Cb 0.01 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 2p1a h ILE 136 CO -0.04 0.06 0.22 -0.74 0.00 0.00 0.00 178.15 177.65 2p1a h HIS 137 N -0.11 0.38 -0.08 1.37 2.76 -0.99 -0.84 115.15 117.63 2p1a h HIS 137 Ca -0.00 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.02 2p1a h HIS 137 Cb 0.10 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 2p1a h HIS 137 CO -0.05 0.05 -0.71 0.97 -1.30 0.00 0.00 177.93 176.89 2p1a h ILE 138 N 0.38 1.38 -0.32 6.26 6.09 -1.49 -2.29 117.51 127.52 2p1a h ILE 138 Ca 0.35 -2.12 -0.06 0.00 -1.37 0.00 0.00 64.86 61.65 2p1a h ILE 138 Cb 0.49 2.10 -0.02 0.00 0.47 0.00 0.00 36.82 39.86 2p1a h ILE 138 CO -0.37 0.64 -0.07 -0.07 -3.07 0.00 0.00 178.15 175.21 2p1a h LEU 139 N 0.27 0.49 -0.04 2.19 4.07 -1.15 -1.31 115.31 119.83 2p1a h LEU 139 Ca -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 2p1a h LEU 139 Cb 1.28 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 2p1a h LEU 139 CO 0.12 0.61 -0.00 -0.07 -1.08 0.00 0.00 178.44 178.02 2p1a h LEU 140 N 0.49 0.07 -1.74 1.67 3.38 -1.02 -1.78 115.31 116.38 2p1a h LEU 140 Ca 0.10 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2p1a h LEU 140 Cb 0.42 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2p1a h LEU 140 CO 0.02 0.38 -0.02 0.00 0.09 0.00 0.00 178.44 178.91 2p1a h GLU 142 N 0.13 0.49 -0.07 0.00 4.39 -1.17 -3.44 114.58 114.91 2p1a h GLU 142 Ca 0.03 -0.84 0.00 0.00 0.34 0.00 0.00 59.36 58.90 2p1a h GLU 142 Cb 0.14 0.31 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2p1a h GLU 142 CO 0.00 1.40 0.00 0.72 -1.16 0.00 0.00 179.01 179.97 2p1a n HIS 143 N -3.80 0.15 -2.47 4.33 8.25 -0.68 -5.09 115.22 115.91 2p1a n HIS 143 Ca -0.17 -0.71 -0.34 0.00 -0.26 0.00 0.00 57.72 56.24 2p1a n HIS 143 Cb 1.05 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 32.02 2p1a n HIS 143 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2p1a s LYS 145 N -1.82 3.71 -0.05 -0.41 0.00 -1.25 -4.78 119.74 115.14 2p1a s LYS 145 Ca 0.18 1.43 -0.30 0.00 0.00 0.00 0.00 55.97 57.28 2p1a s LYS 145 Cb 0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 37.83 35.84 2p1a s LYS 145 CO 0.04 -0.52 1.21 0.34 0.00 0.00 0.00 175.35 176.42 2p1a s ASP 146 N -1.90 7.04 0.55 0.03 -1.08 -1.26 -4.34 116.67 115.72 2p1a s ASP 146 Ca 0.68 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 54.55 2p1a s ASP 146 Cb -0.19 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 2p1a s ASP 146 CO 0.22 -0.58 0.00 -0.81 0.52 0.00 0.00 175.17 174.52 2p1a n PRO 147 N 5.14 0.55 -3.76 4.34 -0.04 -1.26 -5.05 135.00 134.93 2p1a n PRO 147 Ca 0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 2p1a n PRO 147 Cb 0.46 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.75 2p1a n PRO 147 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2p1a s ASN 148 N -1.00 0.94 0.00 3.54 0.01 -1.26 -5.12 114.94 112.05 2p1a s ASN 148 Ca 0.00 0.02 0.27 0.00 -0.71 0.00 0.00 52.86 52.44 2p1a s ASN 148 Cb 0.00 -0.21 0.84 0.00 0.41 0.00 0.00 41.25 42.29 2p1a s ASN 148 CO 0.00 -0.19 1.62 -0.38 -1.51 0.00 0.00 177.10 176.64