#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3y h ARG 4 N 0.00 0.19 -0.51 3.52 2.43 -2.06 -2.96 114.38 114.99 2x3y h ARG 4 Ca 0.00 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2x3y h ARG 4 Cb 0.00 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.44 2x3y h ARG 4 CO 0.00 0.12 0.12 0.93 -1.51 0.00 0.00 179.97 179.64 2x3y h GLU 5 N 0.19 0.26 -0.93 0.20 5.08 -2.05 0.44 114.58 117.78 2x3y h GLU 5 Ca 0.76 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 59.10 2x3y h GLU 5 Cb 2.12 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 31.27 2x3y h GLU 5 CO -0.48 0.17 0.54 1.25 -1.00 0.00 0.00 179.01 179.49 2x3y h LEU 6 N 0.27 1.13 -0.50 1.33 5.85 -1.96 -1.58 115.31 119.84 2x3y h LEU 6 Ca 0.26 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2x3y h LEU 6 Cb 0.33 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2x3y h LEU 6 CO -0.31 0.87 0.32 0.74 -0.34 0.00 0.00 178.44 179.72 2x3y h THR 7 N 1.28 1.10 -0.55 1.05 2.02 -0.38 0.08 112.91 117.51 2x3y h THR 7 Ca 0.33 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2x3y h THR 7 Cb -0.03 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 2x3y h THR 7 CO -0.06 0.12 0.31 0.22 0.37 0.00 0.00 175.52 176.47 2x3y h TYR 8 N 0.65 0.76 0.29 3.16 3.20 -0.58 -0.17 116.97 124.27 2x3y h TYR 8 Ca 0.19 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2x3y h TYR 8 Cb -0.04 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 37.99 2x3y h TYR 8 CO -0.05 0.55 -0.14 0.82 -1.64 0.00 0.00 178.16 177.71 2x3y h ILE 9 N 0.74 0.73 -0.36 1.81 2.04 -0.89 -1.94 117.51 119.64 2x3y h ILE 9 Ca 0.20 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 2x3y h ILE 9 Cb 0.04 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2x3y h ILE 9 CO -0.03 0.01 0.05 0.71 0.00 0.00 0.00 178.15 178.89 2x3y h THR 10 N -0.41 1.24 -0.95 -0.27 1.35 -0.88 -2.62 112.91 110.38 2x3y h THR 10 Ca -0.04 -0.87 0.12 0.00 -0.55 0.00 0.00 66.41 65.07 2x3y h THR 10 Cb 0.31 1.11 -0.08 0.00 -1.73 0.00 0.00 68.15 67.76 2x3y h THR 10 CO 0.06 0.29 0.57 0.78 -0.25 0.00 0.00 175.52 176.98 2x3y h ASN 11 N 0.44 0.83 -0.57 5.36 2.35 -1.03 0.83 115.58 123.79 2x3y h ASN 11 Ca 0.11 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2x3y h ASN 11 Cb 0.38 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2x3y h ASN 11 CO 0.01 0.43 0.04 0.28 -1.65 0.00 0.00 177.43 176.54 2x3y h SER 12 N 0.90 0.95 -0.31 5.81 0.02 -1.01 -0.34 113.55 119.57 2x3y h SER 12 Ca 0.47 -0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 61.01 2x3y h SER 12 Cb 0.49 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2x3y h SER 12 CO -0.27 1.00 -0.30 0.40 -1.14 0.00 0.00 176.83 176.51 2x3y h ILE 13 N 0.86 1.30 -0.55 3.27 2.04 -1.15 -2.64 117.51 120.64 2x3y h ILE 13 Ca 0.17 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.57 2x3y h ILE 13 Cb 0.49 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2x3y h ILE 13 CO 0.02 0.48 0.34 0.00 0.00 0.00 0.00 178.15 178.99 2x3y h ALA 14 N 0.72 0.70 -0.78 1.87 0.00 -0.67 -1.07 119.26 120.03 2x3y h ALA 14 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2x3y h ALA 14 Cb 0.88 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2x3y h ALA 14 CO 0.08 0.07 0.51 1.49 0.00 0.00 0.00 179.25 181.40 2x3y h GLU 15 N 0.68 1.01 -0.66 0.00 4.57 -1.06 -0.96 114.58 118.16 2x3y h GLU 15 Ca 0.21 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.25 2x3y h GLU 15 Cb -0.01 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.33 2x3y h GLU 15 CO -0.08 0.67 0.09 0.00 -1.18 0.00 0.00 179.01 178.51 2x3y h ALA 16 N 1.30 0.91 -0.49 2.92 0.00 -1.03 -1.89 119.26 120.97 2x3y h ALA 16 Ca 0.29 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2x3y h ALA 16 Cb -0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 2x3y h ALA 16 CO -0.07 0.67 0.22 0.37 0.00 0.00 0.00 179.25 180.43 2x3y h GLN 17 N 1.02 0.42 -0.14 0.00 4.15 -0.77 -2.49 115.11 117.30 2x3y h GLN 17 Ca 0.20 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.62 2x3y h GLN 17 Cb 0.46 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 2x3y h GLN 17 CO 0.02 0.28 -0.04 -0.09 -1.93 0.00 0.00 178.83 177.06 2x3y h ARG 18 N 0.43 -0.01 -0.40 1.69 2.43 -0.69 -1.47 114.38 116.36 2x3y h ARG 18 Ca 0.23 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 2x3y h ARG 18 Cb 0.18 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.65 2x3y h ARG 18 CO -0.19 -0.01 -0.21 0.28 -1.51 0.00 0.00 179.97 178.33 2x3y h VAL 19 N -0.01 0.39 -0.49 0.20 2.07 -1.10 0.17 116.25 117.47 2x3y h VAL 19 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2x3y h VAL 19 Cb 0.11 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 2x3y h VAL 19 CO -0.15 0.00 0.21 0.24 0.02 0.00 0.00 177.57 177.89 2x3y h MET 20 N -0.14 0.39 0.00 1.57 2.86 -1.08 -0.28 114.93 118.26 2x3y h MET 20 Ca 0.19 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2x3y h MET 20 Cb 0.44 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2x3y h MET 20 CO -0.49 0.26 -0.09 0.00 1.06 0.00 0.00 176.91 177.65 2x3y h ALA 21 N 1.30 -0.11 -0.90 6.32 0.00 -0.23 -0.08 119.26 125.56 2x3y h ALA 21 Ca 0.23 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2x3y h ALA 21 Cb 0.20 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2x3y h ALA 21 CO -0.20 -0.59 0.57 0.00 0.00 0.00 0.00 179.25 179.03 2x3y h ALA 22 N 0.81 1.22 -0.47 0.00 0.00 -0.13 -1.84 119.26 118.85 2x3y h ALA 22 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2x3y h ALA 22 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2x3y h ALA 22 CO -0.09 0.36 0.15 0.52 0.00 0.00 0.00 179.25 180.19 2x3y h MET 23 N 1.06 0.72 -0.09 0.00 2.86 -0.75 -2.61 114.93 116.13 2x3y h MET 23 Ca 0.38 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 2x3y h MET 23 Cb 0.11 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2x3y h MET 23 CO -0.15 0.68 0.08 1.25 1.06 0.00 0.00 176.91 179.83 2x3y h LEU 24 N 0.62 0.00 -2.19 1.22 5.85 -0.23 -1.72 115.31 118.86 2x3y h LEU 24 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2x3y h LEU 24 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2x3y h LEU 24 CO -0.01 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.09 2x3y n ALA 25 N -2.43 2.43 -3.37 1.25 0.00 -0.82 -4.78 120.51 112.79 2x3y n ALA 25 Ca -0.01 -0.91 -0.45 0.00 0.00 0.00 0.00 53.44 52.07 2x3y n ALA 25 Cb 0.19 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 2x3y n ALA 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x3y s ASP 26 N -1.61 6.34 0.57 0.00 -1.08 -0.65 -4.92 116.67 115.33 2x3y s ASP 26 Ca 0.36 -2.27 0.32 0.00 -0.52 0.00 0.00 52.55 50.44 2x3y s ASP 26 Cb 0.22 -2.17 1.74 0.00 -1.46 0.00 0.00 42.92 41.25 2x3y s ASP 26 CO 0.31 -0.69 2.18 -0.33 0.52 0.00 0.00 175.17 177.16 2x3y h GLU 27 N 8.24 0.00 0.12 4.34 5.08 -1.86 -2.13 114.58 128.37 2x3y h GLU 27 Ca -0.09 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.98 2x3y h GLU 27 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2x3y h GLU 27 CO 0.87 0.05 -1.33 -0.09 -1.00 0.00 0.00 179.01 177.52 2x3y h ARG 28 N 0.00 0.26 0.09 2.33 2.43 -1.95 -2.92 114.38 114.62 2x3y h ARG 28 Ca -0.00 -0.45 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2x3y h ARG 28 Cb 0.19 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2x3y h ARG 28 CO 0.01 1.18 -0.04 1.25 -1.51 0.00 0.00 179.97 180.86 2x3y h LEU 29 N 0.07 -0.11 -0.54 3.80 6.46 -1.75 -2.09 115.31 121.15 2x3y h LEU 29 Ca -0.17 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.53 2x3y h LEU 29 Cb 1.99 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.90 2x3y h LEU 29 CO 0.19 0.04 0.30 -0.07 -0.62 0.00 0.00 178.44 178.27 2x3y h LEU 30 N -0.24 0.45 -1.89 2.25 3.38 -1.49 0.09 115.31 117.86 2x3y h LEU 30 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2x3y h LEU 30 Cb 0.20 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2x3y h LEU 30 CO 0.02 0.31 0.05 0.00 0.09 0.00 0.00 178.44 178.91 2x3y h ALA 31 N 1.27 1.92 0.06 1.53 0.00 -1.45 -2.45 119.26 120.14 2x3y h ALA 31 Ca 0.23 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.85 2x3y h ALA 31 Cb 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2x3y h ALA 31 CO -0.14 0.07 -1.13 1.15 0.00 0.00 0.00 179.25 179.20 2x3y h THR 32 N 0.12 1.31 -0.46 0.00 2.02 -0.33 -2.10 112.91 113.46 2x3y h THR 32 Ca 0.03 -2.41 0.09 0.00 0.77 0.00 0.00 66.41 64.89 2x3y h THR 32 Cb 0.01 2.55 -0.08 0.00 -1.74 0.00 0.00 68.15 68.89 2x3y h THR 32 CO -0.01 0.73 -0.02 0.58 0.37 0.00 0.00 175.52 177.18 2x3y h VAL 33 N 0.31 0.63 -0.17 3.16 2.07 -0.63 -0.23 116.25 121.38 2x3y h VAL 33 Ca -0.15 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 2x3y h VAL 33 Cb 1.79 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2x3y h VAL 33 CO 0.21 0.02 -0.39 0.08 0.02 0.00 0.00 177.57 177.51 2x3y h ARG 34 N 0.10 0.39 -0.41 1.57 -0.00 -1.39 -2.37 114.38 112.27 2x3y h ARG 34 Ca 0.23 -0.18 -0.07 0.00 -0.00 0.00 0.00 59.98 59.95 2x3y h ARG 34 Cb 0.34 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.29 2x3y h ARG 34 CO -0.40 0.72 -0.04 0.87 -0.00 0.00 0.00 179.97 181.13 2x3y h LYS 35 N 0.32 0.69 -0.01 0.08 1.57 -0.72 -1.43 116.57 117.07 2x3y h LYS 35 Ca 0.03 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2x3y h LYS 35 Cb 0.84 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 2x3y h LYS 35 CO 0.07 0.73 0.01 0.28 -0.57 0.00 0.00 179.45 179.97 2x3y h VAL 36 N 0.64 1.08 -0.60 0.50 2.07 -0.79 0.64 116.25 119.79 2x3y h VAL 36 Ca 0.12 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2x3y h VAL 36 Cb 0.46 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 2x3y h VAL 36 CO 0.02 0.06 0.20 0.00 0.02 0.00 0.00 177.57 177.87 2x3y h ALA 37 N 0.91 0.76 -0.55 1.67 0.00 -1.33 -1.84 119.26 118.89 2x3y h ALA 37 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2x3y h ALA 37 Cb 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2x3y h ALA 37 CO -0.00 -0.23 0.17 -0.44 0.00 0.00 0.00 179.25 178.75 2x3y h ASP 38 N 0.36 0.76 -0.20 0.00 3.32 -0.82 -0.91 116.42 118.92 2x3y h ASP 38 Ca 0.31 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2x3y h ASP 38 Cb 0.40 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2x3y h ASP 38 CO -0.33 0.72 0.13 0.00 -1.72 0.00 0.00 179.24 178.04 2x3y h ALA 39 N 1.39 0.26 -0.49 3.45 0.00 -0.10 -1.21 119.26 122.56 2x3y h ALA 39 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2x3y h ALA 39 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2x3y h ALA 39 CO -0.01 -0.25 0.18 0.00 0.00 0.00 0.00 179.25 179.17 2x3y h ILE 41 N 0.65 1.08 -0.44 0.00 2.04 -1.04 -0.93 117.51 118.86 2x3y h ILE 41 Ca 0.16 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 2x3y h ILE 41 Cb 0.22 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2x3y h ILE 41 CO -0.01 0.09 -0.17 0.00 0.00 0.00 0.00 178.15 178.06 2x3y h ALA 42 N 1.14 0.87 0.09 1.87 0.00 -1.08 -0.46 119.26 121.69 2x3y h ALA 42 Ca 0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2x3y h ALA 42 Cb -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2x3y h ALA 42 CO -0.04 0.64 -0.04 1.03 0.00 0.00 0.00 179.25 180.83 2x3y h SER 43 N 0.74 -0.10 -0.93 0.00 0.87 -1.01 -2.62 113.55 110.50 2x3y h SER 43 Ca 0.11 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2x3y h SER 43 Cb 0.69 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 2x3y h SER 43 CO 0.05 0.08 0.57 0.40 -0.53 0.00 0.00 176.83 177.41 2x3y h ILE 44 N -0.29 1.25 0.00 2.23 2.04 -1.13 0.24 117.51 121.85 2x3y h ILE 44 Ca -0.01 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2x3y h ILE 44 Cb 0.24 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2x3y h ILE 44 CO 0.02 0.26 -0.06 0.00 0.00 0.00 0.00 178.15 178.37 2x3y h ALA 45 N 1.31 1.25 -0.40 1.87 0.00 -0.94 -1.27 119.26 121.09 2x3y h ALA 45 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2x3y h ALA 45 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2x3y h ALA 45 CO -0.07 0.07 0.00 0.94 0.00 0.00 0.00 179.25 180.19 2x3y n GLN 46 N -3.52 2.45 0.00 0.00 0.00 -0.85 -4.93 117.38 110.53 2x3y n GLN 46 Ca -0.02 -2.25 0.00 0.00 -0.00 0.00 0.00 57.00 54.72 2x3y n GLN 46 Cb 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.93 2x3y n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2x3y n GLY 47 N 1.40 1.01 1.04 1.69 0.00 -0.48 -5.08 105.19 104.76 2x3y n GLY 47 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 2x3y n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3y n GLY 48 N -1.92 0.17 3.27 -0.02 0.00 0.78 -4.95 105.19 102.52 2x3y n GLY 48 Ca 0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 2x3y n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x3y s LYS 49 N -3.30 1.25 -0.17 1.61 -2.85 -1.26 -4.32 119.74 110.71 2x3y s LYS 49 Ca 0.18 -1.56 -0.01 0.00 -1.00 0.00 0.00 55.97 53.58 2x3y s LYS 49 Cb -0.01 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 36.06 2x3y s LYS 49 CO 0.12 -0.43 -0.10 0.08 0.10 0.00 0.00 175.35 175.12 2x3y s VAL 50 N -4.13 3.11 -0.09 1.79 1.01 -0.64 -1.50 120.40 119.94 2x3y s VAL 50 Ca 0.36 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2x3y s VAL 50 Cb 0.06 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2x3y s VAL 50 CO 0.11 0.49 0.02 -0.76 0.00 0.00 0.00 175.10 174.96 2x3y s LEU 51 N 0.81 3.68 0.03 3.92 1.43 0.52 -0.82 118.68 128.25 2x3y s LEU 51 Ca -0.04 0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 2x3y s LEU 51 Cb -0.15 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2x3y s LEU 51 CO 0.01 0.37 -0.24 -0.76 0.23 0.00 0.00 176.35 175.96 2x3y s LEU 52 N -0.83 2.14 -0.03 1.79 1.02 -0.57 0.02 118.68 122.22 2x3y s LEU 52 Ca 0.13 -0.53 -0.02 0.00 0.02 0.00 0.00 54.13 53.73 2x3y s LEU 52 Cb -0.11 -1.17 0.01 0.00 0.02 0.00 0.00 46.19 44.94 2x3y s LEU 52 CO 0.02 0.23 0.07 0.00 0.02 0.00 0.00 176.35 176.70 2x3y s ALA 53 N -0.74 -0.17 0.05 4.21 0.00 -0.47 -0.24 121.76 124.40 2x3y s ALA 53 Ca 0.10 0.22 -0.27 0.00 0.00 0.00 0.00 51.96 52.01 2x3y s ALA 53 Cb -0.09 -0.13 0.09 0.00 0.00 0.00 0.00 23.12 22.98 2x3y s ALA 53 CO 0.01 -0.04 0.90 0.20 0.00 0.00 0.00 175.76 176.84 2x3y s GLY 54 N 0.10 -0.40 0.13 0.00 0.00 -1.26 -0.87 107.32 105.02 2x3y s GLY 54 Ca -0.01 0.71 0.06 0.00 0.00 0.00 0.00 44.72 45.48 2x3y s GLY 54 CO -0.00 0.22 0.01 -1.31 0.00 0.00 0.00 173.10 172.02 2x3y s ASN 55 N -2.64 4.99 1.50 1.64 0.01 -1.26 -3.78 114.94 115.39 2x3y s ASN 55 Ca 0.07 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 2x3y s ASN 55 Cb -0.01 -1.16 0.00 0.00 0.41 0.00 0.00 41.25 40.49 2x3y s ASN 55 CO -0.06 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.28 2x3y n GLY 56 N 0.23 3.73 0.37 0.66 0.00 -1.26 -0.89 105.19 108.03 2x3y n GLY 56 Ca -0.10 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.12 2x3y n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2x3y h GLY 57 N 0.00 1.56 2.00 -0.02 0.00 -2.01 -0.37 103.07 104.23 2x3y h GLY 57 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2x3y h GLY 57 CO 0.00 0.22 0.00 1.44 0.00 0.00 0.00 176.54 178.20 2x3y n SER 58 N -4.57 0.61 -0.07 0.19 7.64 -0.07 -2.18 113.62 115.17 2x3y n SER 58 Ca 0.17 0.60 -0.14 0.00 1.01 0.00 0.00 58.87 60.52 2x3y n SER 58 Cb 0.30 -0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 2x3y n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x3y h ALA 59 N 2.45 0.35 -0.40 -0.43 0.00 -0.87 -1.75 119.26 118.61 2x3y h ALA 59 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.56 2x3y h ALA 59 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2x3y h ALA 59 CO 0.00 0.39 0.08 0.00 0.00 0.00 0.00 179.25 179.71 2x3y h ALA 60 N 0.64 0.43 -0.35 0.00 0.00 -1.23 -2.95 119.26 115.80 2x3y h ALA 60 Ca 0.02 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2x3y h ALA 60 Cb 0.91 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2x3y h ALA 60 CO 0.08 -0.32 -0.16 -0.44 0.00 0.00 0.00 179.25 178.40 2x3y h ASP 61 N 0.20 0.62 -0.64 0.00 3.32 -1.42 -0.88 116.42 117.62 2x3y h ASP 61 Ca 0.19 -0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2x3y h ASP 61 Cb 0.24 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.55 2x3y h ASP 61 CO -0.26 0.80 0.28 0.00 -1.72 0.00 0.00 179.24 178.34 2x3y h ALA 62 N 1.26 0.84 0.00 3.45 0.00 -1.16 -2.09 119.26 121.57 2x3y h ALA 62 Ca 0.09 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 2x3y h ALA 62 Cb 0.60 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2x3y h ALA 62 CO 0.04 -0.11 -0.92 -0.56 0.00 0.00 0.00 179.25 177.70 2x3y h GLN 63 N 0.50 0.00 -0.17 0.00 3.07 -1.29 -2.63 115.11 114.60 2x3y h GLN 63 Ca 0.31 0.00 0.05 0.00 0.09 0.00 0.00 58.65 59.10 2x3y h GLN 63 Cb 0.33 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.84 2x3y h GLN 63 CO -0.27 0.69 -0.21 1.25 0.09 0.00 0.00 178.83 180.38 2x3y h HIS 64 N 0.00 -0.56 -0.33 0.06 2.76 -0.89 0.18 115.15 116.37 2x3y h HIS 64 Ca -0.05 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 2x3y h HIS 64 Cb 1.63 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 30.85 2x3y h HIS 64 CO 0.00 -0.29 0.01 0.82 -1.30 0.00 0.00 177.93 177.17 2x3y h ILE 65 N -0.25 1.25 -0.70 6.26 1.08 -1.40 -2.84 117.51 120.91 2x3y h ILE 65 Ca 0.11 -0.94 0.11 0.00 -0.39 0.00 0.00 64.86 63.76 2x3y h ILE 65 Cb 0.42 1.21 -0.08 0.00 -3.07 0.00 0.00 36.82 35.30 2x3y h ILE 65 CO -0.31 0.31 0.30 0.00 -0.69 0.00 0.00 178.15 177.76 2x3y h ALA 66 N 0.86 0.97 -0.86 1.87 0.00 -1.23 -1.07 119.26 119.81 2x3y h ALA 66 Ca 0.10 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2x3y h ALA 66 Cb 0.43 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2x3y h ALA 66 CO 0.02 -0.14 0.56 0.78 0.00 0.00 0.00 179.25 180.47 2x3y h GLY 67 N 0.50 1.21 2.00 0.00 0.00 -0.76 -0.39 103.07 105.63 2x3y h GLY 67 Ca 0.37 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2x3y h GLY 67 CO -0.33 0.40 -0.19 0.83 0.00 0.00 0.00 176.54 177.26 2x3y h GLU 68 N 1.12 0.00 -0.06 4.80 5.08 -1.03 0.82 114.58 125.30 2x3y h GLU 68 Ca 0.33 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.48 2x3y h GLU 68 Cb -0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.20 2x3y h GLU 68 CO -0.08 0.19 -0.76 0.74 -1.00 0.00 0.00 179.01 178.09 2x3y h PHE 69 N 0.00 0.88 0.16 4.33 0.04 -0.55 -3.24 116.94 118.57 2x3y h PHE 69 Ca -0.00 -0.44 -0.35 0.00 2.80 0.00 0.00 57.97 59.98 2x3y h PHE 69 Cb 1.05 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.08 2x3y h PHE 69 CO 0.00 1.26 -1.79 0.28 -0.60 0.00 0.00 178.31 177.46 2x3y h VAL 70 N 0.26 0.88 0.00 -0.55 2.07 -0.98 -0.35 116.25 117.58 2x3y h VAL 70 Ca -0.08 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 64.93 2x3y h VAL 70 Cb 1.42 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 2x3y h VAL 70 CO 0.15 0.86 0.00 -0.24 0.02 0.00 0.00 177.57 178.36 2x3y n SER 71 N -3.54 0.00 -3.59 0.57 2.88 0.27 -4.22 113.62 106.00 2x3y n SER 71 Ca -0.25 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.16 2x3y n SER 71 Cb 1.07 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.48 2x3y n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x3y s ARG 72 N 0.36 1.06 -0.02 -1.46 1.70 -1.24 -4.68 118.95 114.66 2x3y s ARG 72 Ca 0.00 -0.43 -0.03 0.00 -0.47 0.00 0.00 55.73 54.81 2x3y s ARG 72 Cb 0.00 0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 34.85 2x3y s ARG 72 CO 0.00 -0.40 -0.05 0.34 -1.08 0.00 0.00 175.30 174.11 2x3y n PHE 73 N 0.13 0.00 -0.02 5.89 -0.00 -1.22 -4.59 117.46 117.65 2x3y n PHE 73 Ca -0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.28 2x3y n PHE 73 Cb 0.62 -0.07 -0.07 0.00 -0.00 0.00 0.00 39.48 39.95 2x3y n PHE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2x3y n ALA 74 N -2.88 2.09 -3.28 3.13 0.00 -1.26 -5.07 120.51 113.23 2x3y n ALA 74 Ca -0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 2x3y n ALA 74 Cb 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 2x3y n ALA 74 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2x3y s PHE 75 N -2.45 -0.17 0.10 0.00 -0.12 -1.26 -5.14 117.98 108.94 2x3y s PHE 75 Ca -0.04 -0.16 -0.31 0.00 -0.05 0.00 0.00 56.93 56.37 2x3y s PHE 75 Cb 0.04 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.75 2x3y s PHE 75 CO 0.38 -0.89 1.36 -0.51 -0.05 0.00 0.00 175.22 175.51 2x3y s ASP 76 N -2.85 6.86 0.26 1.98 1.11 -1.26 -4.88 116.67 117.89 2x3y s ASP 76 Ca 0.08 2.26 -0.20 0.00 0.18 0.00 0.00 52.55 54.87 2x3y s ASP 76 Cb -0.01 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.47 2x3y s ASP 76 CO -0.05 -0.63 0.95 0.00 1.18 0.00 0.00 175.17 176.62 2x3y s ARG 77 N 1.20 1.65 0.81 8.23 1.04 -1.26 -5.14 118.95 125.46 2x3y s ARG 77 Ca 0.64 -1.06 -0.11 0.00 -1.04 0.00 0.00 55.73 54.16 2x3y s ARG 77 Cb -0.35 0.46 0.08 0.00 -2.04 0.00 0.00 34.95 33.10 2x3y s ARG 77 CO 0.30 -0.77 1.12 -2.14 -0.04 0.00 0.00 175.30 173.77 2x3y s PRO 78 N -2.23 1.88 0.43 3.89 0.02 -1.26 -4.98 135.00 132.75 2x3y s PRO 78 Ca 0.19 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.33 2x3y s PRO 78 Cb -0.04 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.57 2x3y s PRO 78 CO 0.07 -1.96 1.23 0.20 -0.33 0.00 0.00 177.00 176.22 2x3y s GLY 79 N -2.98 2.87 0.15 0.52 0.00 -1.26 -4.98 107.32 101.64 2x3y s GLY 79 Ca 0.64 1.08 0.04 0.00 0.00 0.00 0.00 44.72 46.48 2x3y s GLY 79 CO 0.55 1.61 0.20 1.08 0.00 0.00 0.00 173.10 176.53 2x3y s LEU 80 N -2.67 4.05 -1.01 0.66 1.43 -0.14 -4.99 118.68 116.02 2x3y s LEU 80 Ca 0.60 0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.51 2x3y s LEU 80 Cb -0.34 -2.65 0.08 0.00 0.03 0.00 0.00 46.19 43.31 2x3y s LEU 80 CO 0.42 0.07 1.36 -2.84 0.23 0.00 0.00 176.35 175.59 2x3y s PRO 81 N -3.08 3.63 -0.00 1.29 0.02 -1.26 -3.99 135.00 131.60 2x3y s PRO 81 Ca 0.33 -1.41 0.04 0.00 0.02 0.00 0.00 61.00 59.97 2x3y s PRO 81 Cb -0.11 -5.22 -0.01 0.00 0.02 0.00 0.00 34.50 29.18 2x3y s PRO 81 CO 0.26 -2.06 -0.12 0.00 -0.33 0.00 0.00 177.00 174.75 2x3y s ALA 82 N 4.11 0.99 -0.09 -1.55 0.00 -1.26 -1.63 121.76 122.34 2x3y s ALA 82 Ca 0.42 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 2x3y s ALA 82 Cb -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.90 2x3y s ALA 82 CO -0.09 0.23 -0.03 0.08 0.00 0.00 0.00 175.76 175.96 2x3y s VAL 83 N -0.36 0.63 -0.04 0.00 1.01 0.00 -4.88 120.40 116.77 2x3y s VAL 83 Ca 0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2x3y s VAL 83 Cb -0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2x3y s VAL 83 CO -0.00 0.30 1.01 0.00 0.00 0.00 0.00 175.10 176.41 2x3y s ALA 84 N 1.83 3.28 -0.71 5.51 0.00 -1.26 -1.50 121.76 128.91 2x3y s ALA 84 Ca 0.04 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.54 2x3y s ALA 84 Cb -0.12 -3.39 0.29 0.00 0.00 0.00 0.00 23.12 19.89 2x3y s ALA 84 CO -0.06 -0.41 0.96 1.28 0.00 0.00 0.00 175.76 177.53 2x3y n LEU 85 N 4.40 2.76 -0.11 0.00 4.77 0.67 -4.03 117.00 125.45 2x3y n LEU 85 Ca 0.07 -1.40 0.04 0.00 -0.03 0.00 0.00 56.01 54.70 2x3y n LEU 85 Cb 0.50 -0.57 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2x3y n LEU 85 CO 0.52 0.40 0.54 0.35 -1.33 0.00 0.00 177.39 177.87 2x3y n THR 86 N 0.21 1.36 -0.08 -5.08 -2.24 -1.26 -4.78 114.28 102.40 2x3y n THR 86 Ca 0.10 -1.47 -0.10 0.00 -2.27 0.00 0.00 64.05 60.31 2x3y n THR 86 Cb 0.60 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 2x3y n THR 86 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2x3y n THR 87 N -0.75 1.01 -2.68 4.28 -2.24 -1.26 -4.92 114.28 107.73 2x3y n THR 87 Ca 0.07 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 2x3y n THR 87 Cb 0.42 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 2x3y n THR 87 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2x3y s ASP 88 N -5.32 6.23 0.38 3.42 -1.08 -1.26 -4.89 116.67 114.15 2x3y s ASP 88 Ca -0.17 -0.51 0.28 0.00 -0.52 0.00 0.00 52.55 51.63 2x3y s ASP 88 Cb 0.05 -2.50 1.03 0.00 -1.46 0.00 0.00 42.92 40.04 2x3y s ASP 88 CO 0.49 -1.59 1.81 0.71 0.52 0.00 0.00 175.17 177.10 2x3y h THR 89 N 6.03 0.00 -0.14 1.71 1.35 -1.99 -0.49 112.91 119.39 2x3y h THR 89 Ca -0.28 -0.46 -0.20 0.00 -0.55 0.00 0.00 66.41 64.93 2x3y h THR 89 Cb 1.06 1.36 0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2x3y h THR 89 CO 1.21 0.00 -0.68 0.28 -0.25 0.00 0.00 175.52 176.09 2x3y h SER 90 N 0.00 0.83 0.08 5.36 0.02 -1.98 -2.28 113.55 115.57 2x3y h SER 90 Ca 0.00 -0.63 -0.00 0.00 -0.84 0.00 0.00 61.79 60.31 2x3y h SER 90 Cb 0.54 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2x3y h SER 90 CO 0.00 1.33 -0.04 0.40 -1.14 0.00 0.00 176.83 177.38 2x3y h ILE 91 N 0.39 1.06 0.09 3.27 2.04 -1.79 -1.32 117.51 121.25 2x3y h ILE 91 Ca -0.05 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.35 2x3y h ILE 91 Cb 1.31 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 2x3y h ILE 91 CO 0.14 0.12 -0.15 -0.07 0.00 0.00 0.00 178.15 178.19 2x3y h LEU 92 N -0.32 -0.40 -1.03 1.44 3.38 -1.18 -1.16 115.31 116.04 2x3y h LEU 92 Ca -0.01 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2x3y h LEU 92 Cb 0.27 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2x3y h LEU 92 CO 0.02 -0.22 -0.29 0.71 0.09 0.00 0.00 178.44 178.75 2x3y h THR 93 N -0.29 0.70 -0.03 0.22 1.35 -1.47 -1.59 112.91 111.79 2x3y h THR 93 Ca 0.02 -1.29 -0.03 0.00 -0.55 0.00 0.00 66.41 64.57 2x3y h THR 93 Cb 0.31 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2x3y h THR 93 CO -0.08 0.28 -0.08 0.00 -0.25 0.00 0.00 175.52 175.40 2x3y h ALA 94 N 1.71 0.05 -0.39 6.62 0.00 -0.94 -2.64 119.26 123.67 2x3y h ALA 94 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2x3y h ALA 94 Cb 0.81 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2x3y h ALA 94 CO 0.04 -0.09 0.20 0.82 0.00 0.00 0.00 179.25 180.22 2x3y h ILE 95 N -0.44 1.13 0.28 0.00 2.04 -1.16 0.21 117.51 119.58 2x3y h ILE 95 Ca -0.00 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2x3y h ILE 95 Cb 0.68 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2x3y h ILE 95 CO 0.02 0.14 -0.48 1.23 0.00 0.00 0.00 178.15 179.06 2x3y h GLY 96 N 0.63 -1.20 0.86 5.37 0.00 -1.20 -1.09 103.07 106.44 2x3y h GLY 96 Ca 0.14 0.61 -0.04 0.00 0.00 0.00 0.00 47.33 48.03 2x3y h GLY 96 CO -0.02 -0.32 -0.00 3.43 0.00 0.00 0.00 176.54 179.62 2x3y h ASN 97 N -0.80 0.46 0.04 0.19 4.21 -1.19 -2.07 115.58 116.41 2x3y h ASN 97 Ca -0.03 -0.31 -0.18 0.00 1.21 0.00 0.00 56.30 56.99 2x3y h ASN 97 Cb 0.75 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.82 2x3y h ASN 97 CO -0.17 0.66 -0.66 0.44 -1.29 0.00 0.00 177.43 176.41 2x3y h ASP 98 N 0.24 0.67 0.00 5.81 3.32 -0.59 -3.39 116.42 122.49 2x3y h ASP 98 Ca 0.07 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2x3y h ASP 98 Cb 0.42 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2x3y h ASP 98 CO 0.01 1.15 0.00 -1.22 -1.72 0.00 0.00 179.24 177.47 2x3y n TYR 99 N -3.92 0.00 0.00 4.55 4.01 -0.51 -5.06 117.16 116.24 2x3y n TYR 99 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2x3y n TYR 99 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 2x3y n TYR 99 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x3y n GLY 100 N 0.16 2.17 0.22 2.72 0.00 -0.64 -4.64 105.19 105.18 2x3y n GLY 100 Ca 0.00 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.52 2x3y n GLY 100 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2x3y h TYR 101 N 0.00 0.00 0.00 1.61 3.20 -1.77 -0.66 116.97 119.35 2x3y h TYR 101 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2x3y h TYR 101 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2x3y h TYR 101 CO 0.00 0.00 0.00 -1.91 -1.64 0.00 0.00 178.16 174.61 2x3y n GLU 102 N -2.48 0.20 0.00 1.82 2.13 -1.26 -3.41 120.64 117.64 2x3y n GLU 102 Ca -0.02 0.20 0.12 0.00 0.66 0.00 0.00 57.16 58.12 2x3y n GLU 102 Cb 0.15 -1.75 0.14 0.00 0.27 0.00 0.00 31.44 30.25 2x3y n GLU 102 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2x3y n LYS 103 N -2.10 0.57 -0.22 5.31 4.76 -0.25 -4.44 118.16 121.79 2x3y n LYS 103 Ca 0.05 -0.41 0.02 0.00 -2.87 0.00 0.00 58.31 55.10 2x3y n LYS 103 Cb 0.38 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 32.14 2x3y n LYS 103 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2x3y n LEU 104 N -0.85 -0.27 -0.08 -0.35 4.77 -1.22 -1.14 117.00 117.86 2x3y n LEU 104 Ca 0.08 1.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.99 2x3y n LEU 104 Cb 0.37 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 2x3y n LEU 104 CO 0.32 -0.96 -1.03 0.49 -1.33 0.00 0.00 177.39 174.88 2x3y n PHE 105 N -4.94 0.00 0.07 -1.77 0.99 -1.26 -4.15 117.46 106.40 2x3y n PHE 105 Ca 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.57 2x3y n PHE 105 Cb 0.28 -0.74 0.43 0.00 -1.00 0.00 0.00 39.48 38.45 2x3y n PHE 105 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2x3y h SER 106 N 0.00 0.34 -0.14 4.37 4.64 -1.64 -0.16 113.55 120.96 2x3y h SER 106 Ca -0.41 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 60.76 2x3y h SER 106 Cb 1.83 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 2x3y h SER 106 CO -0.01 0.33 -0.36 -0.09 -0.87 0.00 0.00 176.83 175.83 2x3y h ARG 107 N 0.38 0.49 -0.80 4.77 2.43 -1.34 -1.73 114.38 118.58 2x3y h ARG 107 Ca 0.09 -0.34 0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2x3y h ARG 107 Cb 0.12 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2x3y h ARG 107 CO -0.01 0.96 0.53 1.96 -1.51 0.00 0.00 179.97 181.90 2x3y h GLN 108 N 0.10 1.05 -0.61 0.20 4.20 -1.62 -1.57 115.11 116.87 2x3y h GLN 108 Ca -0.01 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.66 2x3y h GLN 108 Cb 0.98 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 2x3y h GLN 108 CO 0.08 0.70 0.38 0.28 -0.67 0.00 0.00 178.83 179.60 2x3y h VAL 109 N 1.09 1.09 -0.64 -0.54 2.07 -1.02 -1.30 116.25 117.00 2x3y h VAL 109 Ca 0.29 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2x3y h VAL 109 Cb -0.12 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 2x3y h VAL 109 CO -0.06 0.14 0.42 -0.61 0.02 0.00 0.00 177.57 177.48 2x3y h GLN 110 N 0.76 0.84 0.07 1.57 -0.00 -0.63 0.12 115.11 117.84 2x3y h GLN 110 Ca 0.24 -0.05 -0.24 0.00 -0.00 0.00 0.00 58.65 58.60 2x3y h GLN 110 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 27.48 27.28 2x3y h GLN 110 CO -0.09 0.56 -1.10 0.00 0.00 0.00 0.00 178.83 178.19 2x3y h ALA 111 N 1.24 0.24 0.00 3.38 0.00 -1.11 -3.39 119.26 119.62 2x3y h ALA 111 Ca 0.24 -0.84 -0.28 0.00 0.00 0.00 0.00 54.91 54.02 2x3y h ALA 111 Cb -0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2x3y h ALA 111 CO -0.05 0.99 -2.11 1.28 0.00 0.00 0.00 179.25 179.36 2x3y n LEU 112 N -3.55 0.00 -4.77 0.00 4.77 -0.51 -5.02 117.00 107.93 2x3y n LEU 112 Ca -0.06 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.55 2x3y n LEU 112 Cb 0.95 0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 42.41 2x3y n LEU 112 CO 0.51 0.38 0.82 -0.83 -1.33 0.00 0.00 177.39 176.95 2x3y s GLY 113 N -4.96 2.77 0.10 -0.72 0.00 0.41 -5.06 107.32 99.85 2x3y s GLY 113 Ca -0.08 0.92 0.06 0.00 0.00 0.00 0.00 44.72 45.62 2x3y s GLY 113 CO 0.68 1.36 -0.16 -1.31 0.00 0.00 0.00 173.10 173.68 2x3y s ASN 114 N -1.40 1.99 0.13 1.64 0.01 -1.26 -4.94 114.94 111.11 2x3y s ASN 114 Ca 0.64 -0.70 -0.34 0.00 -0.71 0.00 0.00 52.86 51.75 2x3y s ASN 114 Cb -0.28 -0.08 -0.17 0.00 0.41 0.00 0.00 41.25 41.14 2x3y s ASN 114 CO 0.34 -0.07 1.15 1.21 -1.51 0.00 0.00 177.10 178.22 2x3y n GLU 115 N 0.97 0.93 0.00 -0.60 2.13 -1.22 -1.07 120.64 121.78 2x3y n GLU 115 Ca -0.19 0.33 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2x3y n GLU 115 Cb 0.55 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.43 2x3y n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x3y n GLY 116 N 2.06 2.91 3.60 8.31 0.00 -0.84 -4.96 105.19 116.26 2x3y n GLY 116 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2x3y n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x3y s ASP 117 N -1.24 1.72 -0.03 1.61 1.01 -0.23 -4.63 116.67 114.88 2x3y s ASP 117 Ca 0.00 1.08 0.07 0.00 0.71 0.00 0.00 52.55 54.42 2x3y s ASP 117 Cb 0.00 -1.67 -0.02 0.00 1.01 0.00 0.00 42.92 42.24 2x3y s ASP 117 CO 0.00 -3.68 -0.25 -0.69 0.21 0.00 0.00 175.17 170.76 2x3y s VAL 118 N -2.86 1.98 -0.18 -1.27 1.01 -0.56 -1.60 120.40 116.91 2x3y s VAL 118 Ca 0.67 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2x3y s VAL 118 Cb -0.18 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2x3y s VAL 118 CO 0.59 0.56 -0.09 -0.22 0.00 0.00 0.00 175.10 175.93 2x3y s LEU 119 N -0.49 2.75 -0.29 3.92 2.96 0.07 -0.35 118.68 127.24 2x3y s LEU 119 Ca 0.07 -0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 2x3y s LEU 119 Cb -0.10 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2x3y s LEU 119 CO -0.00 0.05 0.10 -0.63 -1.32 0.00 0.00 176.35 174.56 2x3y s ILE 120 N 1.03 4.29 -0.11 6.68 1.01 0.10 -0.31 121.20 133.90 2x3y s ILE 120 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2x3y s ILE 120 Cb -0.15 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 2x3y s ILE 120 CO -0.01 0.14 -0.17 -0.83 0.00 0.00 0.00 174.94 174.07 2x3y s GLY 121 N 1.57 1.47 -0.15 6.18 0.00 0.19 -1.37 107.32 115.23 2x3y s GLY 121 Ca 0.04 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 43.77 2x3y s GLY 121 CO 0.04 -0.30 0.10 -0.19 0.00 0.00 0.00 173.10 172.75 2x3y s TYR 122 N 0.22 3.42 -0.26 1.90 2.02 -0.05 -1.23 117.35 123.37 2x3y s TYR 122 Ca -0.10 0.34 -0.06 0.00 -0.37 0.00 0.00 57.07 56.87 2x3y s TYR 122 Cb -0.16 -2.00 0.13 0.00 -0.40 0.00 0.00 41.96 39.53 2x3y s TYR 122 CO 0.06 0.48 0.53 0.45 -1.57 0.00 0.00 175.55 175.50 2x3y s SER 123 N -0.41 -0.71 0.33 2.29 0.15 -0.79 -4.45 113.70 110.10 2x3y s SER 123 Ca 0.11 1.08 0.16 0.00 0.70 0.00 0.00 55.95 58.00 2x3y s SER 123 Cb -0.12 1.81 0.50 0.00 -1.71 0.00 0.00 66.02 66.50 2x3y s SER 123 CO 0.02 -0.24 1.65 0.71 1.20 0.00 0.00 173.24 176.58 2x3y h THR 124 N 6.08 1.04 0.00 6.45 1.35 -1.93 -3.12 112.91 122.78 2x3y h THR 124 Ca -0.18 -1.82 -0.09 0.00 -0.55 0.00 0.00 66.41 63.77 2x3y h THR 124 Cb 1.12 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.60 2x3y h THR 124 CO 0.16 0.46 -0.72 0.77 -0.25 0.00 0.00 175.52 175.93 2x3y h SER 125 N 0.00 0.00 0.00 5.36 4.64 -1.95 -3.32 113.55 118.28 2x3y h SER 125 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x3y h SER 125 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2x3y h SER 125 CO 0.06 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 2x3y n GLY 126 N 1.24 1.21 0.01 -0.77 0.00 -1.18 -4.86 105.19 100.85 2x3y n GLY 126 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 2x3y n GLY 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x3y n LYS 127 N -2.00 5.90 -1.37 1.61 5.02 -1.26 -4.39 118.16 121.67 2x3y n LYS 127 Ca 0.00 -0.05 -0.54 0.00 -2.02 0.00 0.00 58.31 55.70 2x3y n LYS 127 Cb 0.00 -0.60 -0.09 0.00 -0.02 0.00 0.00 35.03 34.31 2x3y n LYS 127 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2x3y n SER 128 N -0.93 1.50 -0.30 4.39 7.64 -1.26 -4.82 113.62 119.85 2x3y n SER 128 Ca 0.00 0.49 -0.01 0.00 1.01 0.00 0.00 58.87 60.36 2x3y n SER 128 Cb 0.02 -1.11 0.12 0.00 -1.01 0.00 0.00 64.21 62.23 2x3y n SER 128 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2x3y h PRO 129 N 11.19 0.96 0.00 1.43 0.11 -1.97 -1.39 132.00 142.33 2x3y h PRO 129 Ca -0.19 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 2x3y h PRO 129 Cb 1.36 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2x3y h PRO 129 CO 1.07 0.63 -0.24 -2.95 -0.21 0.00 0.00 178.00 176.30 2x3y h ASN 130 N 0.99 0.00 -0.06 -2.05 7.08 -1.88 -0.57 115.58 119.09 2x3y h ASN 130 Ca 0.35 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.48 2x3y h ASN 130 Cb 0.09 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.33 2x3y h ASN 130 CO -0.14 0.24 -0.30 0.40 -2.08 0.00 0.00 177.43 175.55 2x3y h ILE 131 N 0.00 1.43 -0.49 6.14 1.08 -1.66 -2.53 117.51 121.49 2x3y h ILE 131 Ca -0.00 -1.73 -0.01 0.00 -0.39 0.00 0.00 64.86 62.73 2x3y h ILE 131 Cb 0.74 2.36 -0.02 0.00 -3.07 0.00 0.00 36.82 36.83 2x3y h ILE 131 CO 0.03 0.49 0.27 -0.07 -0.69 0.00 0.00 178.15 178.18 2x3y h LEU 132 N -0.19 0.61 -1.38 1.44 3.38 -0.98 -1.29 115.31 116.90 2x3y h LEU 132 Ca -0.02 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.91 2x3y h LEU 132 Cb 0.96 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2x3y h LEU 132 CO 0.06 0.53 0.46 0.00 0.09 0.00 0.00 178.44 179.59 2x3y h ALA 133 N 1.11 1.68 -0.54 1.53 0.00 -1.19 -1.06 119.26 120.80 2x3y h ALA 133 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2x3y h ALA 133 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2x3y h ALA 133 CO -0.03 0.21 0.28 0.00 0.00 0.00 0.00 179.25 179.72 2x3y h ALA 134 N 1.61 0.69 -0.86 0.00 0.00 -0.81 -2.28 119.26 117.62 2x3y h ALA 134 Ca 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2x3y h ALA 134 Cb 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2x3y h ALA 134 CO -0.09 0.22 0.52 0.74 0.00 0.00 0.00 179.25 180.64 2x3y h PHE 135 N 0.72 1.12 0.27 0.00 0.04 -0.33 -0.25 116.94 118.51 2x3y h PHE 135 Ca 0.19 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 2x3y h PHE 135 Cb 0.07 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 2x3y h PHE 135 CO -0.01 0.74 -0.18 0.00 -0.60 0.00 0.00 178.31 178.26 2x3y h ARG 136 N 1.17 -0.43 -0.12 1.51 3.08 -1.05 -0.62 114.38 117.93 2x3y h ARG 136 Ca 0.31 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.41 2x3y h ARG 136 Cb -0.06 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2x3y h ARG 136 CO -0.06 -0.29 -0.03 1.49 -1.07 0.00 0.00 179.97 180.02 2x3y h GLU 137 N -0.45 0.00 -0.21 0.04 4.57 -1.21 -1.96 114.58 115.37 2x3y h GLU 137 Ca -0.02 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2x3y h GLU 137 Cb 0.38 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 2x3y h GLU 137 CO 0.01 0.00 -0.30 0.00 -1.18 0.00 0.00 179.01 177.54 2x3y h ALA 138 N 1.11 -0.27 -0.88 2.92 0.00 -0.83 -1.77 119.26 119.54 2x3y h ALA 138 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2x3y h ALA 138 Cb 0.08 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2x3y h ALA 138 CO -0.12 -0.75 0.52 -0.22 0.00 0.00 0.00 179.25 178.69 2x3y h LYS 139 N -0.33 1.20 0.00 0.00 3.64 -0.93 -0.99 116.57 119.15 2x3y h LYS 139 Ca 0.12 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2x3y h LYS 139 Cb 0.52 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2x3y h LYS 139 CO -0.40 0.84 -0.09 0.00 -2.27 0.00 0.00 179.45 177.54 2x3y h ALA 140 N 1.36 1.18 -0.07 5.00 0.00 -0.71 -1.52 119.26 124.51 2x3y h ALA 140 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2x3y h ALA 140 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2x3y h ALA 140 CO -0.06 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.93 2x3y n LYS 141 N -3.46 1.75 -1.54 0.00 5.02 -0.47 -4.92 118.16 114.54 2x3y n LYS 141 Ca -0.02 -1.10 0.00 0.00 -2.02 0.00 0.00 58.31 55.18 2x3y n LYS 141 Cb 0.23 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2x3y n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x3y n GLY 142 N 1.18 0.41 3.91 0.72 0.00 -0.57 -3.41 105.19 107.43 2x3y n GLY 142 Ca 0.18 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 2x3y n GLY 142 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x3y s MET 143 N -3.09 3.55 0.23 1.61 -1.94 -0.67 -1.98 119.30 117.01 2x3y s MET 143 Ca 0.00 -0.23 -0.30 0.00 -1.71 0.00 0.00 55.69 53.46 2x3y s MET 143 Cb 0.00 -2.90 -0.09 0.00 2.01 0.00 0.00 34.83 33.85 2x3y s MET 143 CO 0.00 0.50 1.02 0.99 -0.01 0.00 0.00 175.02 177.52 2x3y s THR 144 N -1.64 3.90 -0.25 2.05 2.01 -0.63 -4.14 115.64 116.94 2x3y s THR 144 Ca 0.39 1.82 -0.05 0.00 0.31 0.00 0.00 61.69 64.16 2x3y s THR 144 Cb -0.12 -4.16 -0.00 0.00 0.01 0.00 0.00 72.50 68.22 2x3y s THR 144 CO 0.26 0.40 0.02 0.00 -0.69 0.00 0.00 174.62 174.61 2x3y s VAL 146 N 1.50 2.80 0.00 0.00 1.01 0.58 -0.64 120.40 125.65 2x3y s VAL 146 Ca 0.04 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2x3y s VAL 146 Cb -0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2x3y s VAL 146 CO -0.00 0.51 -0.15 -0.83 0.00 0.00 0.00 175.10 174.63 2x3y s GLY 147 N 0.73 1.58 -0.20 4.51 0.00 0.11 -0.63 107.32 113.41 2x3y s GLY 147 Ca -0.06 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.59 2x3y s GLY 147 CO 0.01 -0.93 -0.17 -1.36 0.00 0.00 0.00 173.10 170.65 2x3y s PHE 148 N -0.86 2.87 0.06 1.90 0.08 -0.36 -0.64 117.98 121.02 2x3y s PHE 148 Ca 0.14 -1.81 0.01 0.00 0.12 0.00 0.00 56.93 55.39 2x3y s PHE 148 Cb -0.11 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.44 2x3y s PHE 148 CO 0.04 -0.82 0.06 -2.37 -0.10 0.00 0.00 175.22 172.03 2x3y n THR 149 N 4.58 0.00 -0.97 0.64 5.66 0.48 -1.89 114.28 122.77 2x3y n THR 149 Ca -0.19 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 2x3y n THR 149 Cb 0.48 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.47 2x3y n THR 149 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2x3y n GLY 150 N -0.11 1.51 1.14 1.09 0.00 -1.25 -0.96 105.19 106.61 2x3y n GLY 150 Ca 0.01 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.31 2x3y n GLY 150 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2x3y n ASN 151 N 0.00 3.41 -0.08 1.61 0.23 0.36 -3.86 115.26 116.94 2x3y n ASN 151 Ca 0.00 -1.99 0.14 0.00 -0.53 0.00 0.00 54.58 52.20 2x3y n ASN 151 Cb 0.00 -0.23 0.68 0.00 -2.08 0.00 0.00 39.78 38.15 2x3y n ASN 151 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2x3y n ARG 152 N 1.47 0.65 0.00 -3.83 1.74 -1.26 -5.00 116.66 110.43 2x3y n ARG 152 Ca 0.19 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2x3y n ARG 152 Cb 0.60 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 2x3y n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x3y n GLY 153 N 1.26 0.55 0.00 -0.13 0.00 -1.26 -5.05 105.19 100.55 2x3y n GLY 153 Ca 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2x3y n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3y n GLY 154 N 0.00 0.42 0.11 -0.02 0.00 -1.26 -4.67 105.19 99.77 2x3y n GLY 154 Ca 0.00 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.35 2x3y n GLY 154 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2x3y h GLU 155 N 0.00 0.00 -0.35 1.61 4.81 -1.97 -3.27 114.58 115.40 2x3y h GLU 155 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2x3y h GLU 155 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2x3y h GLU 155 CO 0.00 0.00 0.41 0.52 -0.73 0.00 0.00 179.01 179.21 2x3y h MET 156 N 0.00 0.00 -0.64 1.92 2.86 -1.88 -2.08 114.93 115.11 2x3y h MET 156 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2x3y h MET 156 Cb 0.94 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 2x3y h MET 156 CO 0.00 0.00 0.26 0.00 1.06 0.00 0.00 176.91 178.23 2x3y h ARG 157 N 0.00 0.95 0.02 1.72 3.08 -1.90 -1.27 114.38 116.97 2x3y h ARG 157 Ca 0.17 -0.17 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 2x3y h ARG 157 Cb 0.98 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.84 2x3y h ARG 157 CO -0.00 0.79 -1.44 1.05 -1.07 0.00 0.00 179.97 179.30 2x3y h GLU 158 N 0.89 0.04 -0.07 0.04 9.09 -1.65 -3.37 114.58 119.55 2x3y h GLU 158 Ca 0.21 -0.07 -0.20 0.00 0.05 0.00 0.00 59.36 59.36 2x3y h GLU 158 Cb 0.19 0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.32 2x3y h GLU 158 CO -0.02 0.77 -0.79 -0.07 0.05 0.00 0.00 179.01 178.96 2x3y h LEU 159 N 0.01 0.54 -9.81 3.06 3.38 -1.36 -3.45 115.31 107.68 2x3y h LEU 159 Ca -0.19 -0.38 -0.56 0.00 0.09 0.00 0.00 57.88 56.85 2x3y h LEU 159 Cb 1.93 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 2x3y h LEU 159 CO 0.11 1.14 -0.09 0.00 0.09 0.00 0.00 178.44 179.69 2x3y h ASP 161 N 3.73 0.00 -3.50 0.00 3.32 -1.20 -3.45 116.42 115.33 2x3y h ASP 161 Ca -0.49 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.32 2x3y h ASP 161 Cb 1.20 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.44 2x3y h ASP 161 CO 0.65 0.69 -0.61 -0.76 -1.72 0.00 0.00 179.24 177.50 2x3y s LEU 162 N -6.76 0.90 -0.07 1.55 1.43 -0.92 -5.03 118.68 109.78 2x3y s LEU 162 Ca 0.02 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2x3y s LEU 162 Cb 0.09 0.34 0.02 0.00 0.03 0.00 0.00 46.19 46.67 2x3y s LEU 162 CO 0.77 -0.13 -0.05 -0.22 0.23 0.00 0.00 176.35 176.95 2x3y s LEU 163 N 0.96 1.19 -0.25 1.79 2.96 -1.26 -0.71 118.68 123.37 2x3y s LEU 163 Ca -0.07 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 2x3y s LEU 163 Cb -0.10 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2x3y s LEU 163 CO -0.05 -0.08 0.08 -0.76 -1.32 0.00 0.00 176.35 174.22 2x3y s LEU 164 N 1.26 3.49 -0.34 -0.68 1.43 0.19 -4.97 118.68 119.06 2x3y s LEU 164 Ca -0.05 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2x3y s LEU 164 Cb -0.14 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.22 2x3y s LEU 164 CO -0.02 -0.03 0.07 -1.61 0.23 0.00 0.00 176.35 174.99 2x3y s GLU 165 N 1.58 2.21 0.07 1.70 2.02 -1.26 -0.39 118.70 124.63 2x3y s GLU 165 Ca 0.06 -1.49 -0.31 0.00 0.02 0.00 0.00 54.97 53.25 2x3y s GLU 165 Cb -0.15 -3.31 -0.07 0.00 0.10 0.00 0.00 34.13 30.70 2x3y s GLU 165 CO 0.04 -0.79 1.39 0.08 0.02 0.00 0.00 175.26 176.00 2x3y s VAL 166 N 1.19 3.48 -0.83 2.63 1.01 -0.13 -4.84 120.40 122.90 2x3y s VAL 166 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 2x3y s VAL 166 Cb -0.21 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 2x3y s VAL 166 CO -0.03 0.05 2.01 -0.81 0.00 0.00 0.00 175.10 176.32 2x3y n PRO 167 N 4.47 1.82 -3.77 2.72 -0.04 -1.26 -2.35 135.00 136.58 2x3y n PRO 167 Ca 0.12 -1.55 -0.10 0.00 -0.04 0.00 0.00 63.50 61.94 2x3y n PRO 167 Cb 0.43 -2.58 -0.05 0.00 -0.04 0.00 0.00 33.50 31.26 2x3y n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2x3y s SER 168 N 3.98 -0.19 0.00 3.54 0.15 -1.26 -4.86 113.70 115.07 2x3y s SER 168 Ca 0.44 -0.54 0.01 0.00 0.70 0.00 0.00 55.95 56.55 2x3y s SER 168 Cb 0.11 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2x3y s SER 168 CO 0.02 -0.99 0.18 0.00 1.20 0.00 0.00 173.24 173.65 2x3y n ALA 169 N -0.29 2.21 -2.57 5.45 0.00 -1.26 -0.48 120.51 123.56 2x3y n ALA 169 Ca -0.10 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 2x3y n ALA 169 Cb 0.63 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 2x3y n ALA 169 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x3y s ASP 170 N -0.74 6.28 0.17 0.00 2.15 -1.26 -5.00 116.67 118.26 2x3y s ASP 170 Ca 0.00 0.08 -0.25 0.00 0.43 0.00 0.00 52.55 52.81 2x3y s ASP 170 Cb 0.00 -2.24 0.02 0.00 -0.30 0.00 0.00 42.92 40.41 2x3y s ASP 170 CO 0.02 -0.34 1.42 0.35 -0.17 0.00 0.00 175.17 176.46 2x3y n THR 171 N 5.26 -0.58 -0.18 1.71 -2.24 -1.26 -1.20 114.28 115.79 2x3y n THR 171 Ca -0.07 2.21 -0.01 0.00 -2.27 0.00 0.00 64.05 63.92 2x3y n THR 171 Cb 0.50 -2.79 0.09 0.00 -2.10 0.00 0.00 70.33 66.02 2x3y n THR 171 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2x3y h PRO 172 N 0.00 0.22 -0.47 -0.78 0.11 -2.00 -0.35 132.00 128.73 2x3y h PRO 172 Ca 0.20 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.18 2x3y h PRO 172 Cb 0.43 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2x3y h PRO 172 CO -0.88 0.14 -0.16 0.87 -0.21 0.00 0.00 178.00 177.76 2x3y h LYS 173 N 0.22 0.91 -0.86 1.05 1.79 -1.67 -1.33 116.57 116.69 2x3y h LYS 173 Ca 0.28 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2x3y h LYS 173 Cb 0.41 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.97 2x3y h LYS 173 CO -0.38 1.00 0.51 0.82 -1.08 0.00 0.00 179.45 180.31 2x3y h ILE 174 N 0.81 1.24 -0.29 1.86 2.04 -0.50 -2.04 117.51 120.63 2x3y h ILE 174 Ca 0.12 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 2x3y h ILE 174 Cb 0.70 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2x3y h ILE 174 CO 0.05 0.26 0.03 1.56 0.00 0.00 0.00 178.15 180.05 2x3y h GLN 175 N 1.19 0.50 -0.99 2.37 4.20 -0.57 -1.36 115.11 120.44 2x3y h GLN 175 Ca 0.31 -0.14 0.18 0.00 0.06 0.00 0.00 58.65 59.05 2x3y h GLN 175 Cb -0.03 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.59 2x3y h GLN 175 CO -0.06 0.62 0.60 0.93 -0.67 0.00 0.00 178.83 180.25 2x3y h GLU 176 N 0.30 0.75 -0.48 1.46 5.08 -1.12 -1.17 114.58 119.41 2x3y h GLU 176 Ca 0.09 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2x3y h GLU 176 Cb 0.38 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2x3y h GLU 176 CO 0.01 0.50 0.07 0.78 -1.00 0.00 0.00 179.01 179.37 2x3y h GLY 177 N 0.77 0.86 0.95 -3.84 0.00 -0.66 -2.73 103.07 98.42 2x3y h GLY 177 Ca 0.56 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 47.33 2x3y h GLY 177 CO -0.37 0.54 0.52 0.45 0.00 0.00 0.00 176.54 177.68 2x3y h HIS 178 N 0.67 0.99 -0.23 5.60 3.86 -0.17 -0.86 115.15 125.01 2x3y h HIS 178 Ca 0.15 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2x3y h HIS 178 Cb 0.40 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2x3y h HIS 178 CO 0.03 0.60 0.13 1.25 0.86 0.00 0.00 177.93 180.79 2x3y h LEU 179 N 1.05 0.28 -0.45 2.43 5.85 -1.23 0.31 115.31 123.55 2x3y h LEU 179 Ca 0.31 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2x3y h LEU 179 Cb -0.06 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2x3y h LEU 179 CO -0.09 0.27 0.24 0.58 -0.34 0.00 0.00 178.44 179.11 2x3y h VAL 180 N 0.27 1.00 -0.00 1.05 2.07 -1.13 -0.26 116.25 119.24 2x3y h VAL 180 Ca 0.08 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 2x3y h VAL 180 Cb 0.05 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2x3y h VAL 180 CO -0.01 0.09 -0.77 -0.07 0.02 0.00 0.00 177.57 176.82 2x3y h LEU 181 N 0.49 0.06 -0.22 2.57 3.38 -1.02 -2.91 115.31 117.66 2x3y h LEU 181 Ca 0.19 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2x3y h LEU 181 Cb 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2x3y h LEU 181 CO -0.11 0.81 0.11 1.23 0.09 0.00 0.00 178.44 180.56 2x3y h GLY 182 N 2.15 0.34 0.20 0.83 0.00 0.09 -1.44 103.07 105.24 2x3y h GLY 182 Ca -0.01 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.21 2x3y h GLY 182 CO 0.10 0.16 -0.18 0.45 0.00 0.00 0.00 176.54 177.08 2x3y h HIS 183 N 0.23 -0.45 -0.63 5.60 3.86 -1.03 -1.40 115.15 121.34 2x3y h HIS 183 Ca 0.08 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.39 2x3y h HIS 183 Cb 0.12 0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.77 2x3y h HIS 183 CO -0.02 -0.25 0.31 0.82 0.86 0.00 0.00 177.93 179.64 2x3y h ILE 184 N -0.15 0.89 -0.93 2.45 2.04 -1.35 -0.89 117.51 119.57 2x3y h ILE 184 Ca 0.15 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2x3y h ILE 184 Cb 0.38 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 2x3y h ILE 184 CO -0.38 0.10 0.61 0.58 0.00 0.00 0.00 178.15 179.06 2x3y h VAL 185 N 0.56 1.23 -0.31 1.67 2.07 -0.71 -2.27 116.25 118.49 2x3y h VAL 185 Ca 0.30 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 2x3y h VAL 185 Cb 0.27 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2x3y h VAL 185 CO -0.23 0.23 -0.19 0.00 0.02 0.00 0.00 177.57 177.40 2x3y h GLY 187 N 0.43 -0.00 0.85 0.00 0.00 -1.03 -0.55 103.07 102.77 2x3y h GLY 187 Ca 0.06 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.58 2x3y h GLY 187 CO 0.05 -0.13 0.38 1.41 0.00 0.00 0.00 176.54 178.25 2x3y h LEU 188 N -0.13 0.61 -0.09 3.11 3.38 -1.28 0.25 115.31 121.16 2x3y h LEU 188 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2x3y h LEU 188 Cb 0.28 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2x3y h LEU 188 CO -0.24 0.42 -0.03 0.58 0.09 0.00 0.00 178.44 179.27 2x3y h VAL 189 N 0.74 1.30 -0.50 1.22 2.07 -1.20 -1.21 116.25 118.66 2x3y h VAL 189 Ca 0.25 -0.97 0.10 0.00 0.82 0.00 0.00 66.70 66.90 2x3y h VAL 189 Cb 0.04 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 2x3y h VAL 189 CO -0.11 0.27 0.00 -0.08 0.02 0.00 0.00 177.57 177.67 2x3y h GLU 190 N -0.17 0.12 -0.30 1.57 4.81 -0.88 -2.19 114.58 117.54 2x3y h GLU 190 Ca 0.02 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 2x3y h GLU 190 Cb 0.44 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2x3y h GLU 190 CO 0.01 0.08 -0.44 1.25 -0.73 0.00 0.00 179.01 179.18 2x3y h HIS 191 N 0.12 1.02 -0.83 0.92 2.76 -0.89 -1.42 115.15 116.82 2x3y h HIS 191 Ca 0.25 -0.34 -0.03 0.00 -2.20 0.00 0.00 60.37 58.05 2x3y h HIS 191 Cb 0.38 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 2x3y h HIS 191 CO -0.31 1.15 0.39 1.03 -1.30 0.00 0.00 177.93 178.89 2x3y h SER 192 N 0.59 1.09 0.33 3.26 0.87 -1.01 0.18 113.55 118.86 2x3y h SER 192 Ca 0.03 -0.14 -0.33 0.00 -1.23 0.00 0.00 61.79 60.12 2x3y h SER 192 Cb 1.04 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2x3y h SER 192 CO 0.10 0.92 -1.66 0.40 -0.53 0.00 0.00 176.83 176.06 2x3y h ILE 193 N 1.18 1.01 0.00 2.23 2.04 -1.39 -3.40 117.51 119.19 2x3y h ILE 193 Ca 0.28 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.50 2x3y h ILE 193 Cb 0.13 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2x3y h ILE 193 CO -0.03 0.82 0.00 0.49 0.00 0.00 0.00 178.15 179.43 2x3y n PHE 194 N -3.49 0.00 0.85 1.37 0.99 -0.54 -5.11 117.46 111.52 2x3y n PHE 194 Ca -0.21 -0.25 0.07 0.00 -0.00 0.00 0.00 57.45 57.06 2x3y n PHE 194 Cb 1.06 -0.02 0.40 0.00 -1.00 0.00 0.00 39.48 39.91 2x3y n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17