#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 0.48 -0.08 -3.83 2.43 -2.06 -3.31 114.38 108.02 2x3y h ARG 4 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2x3y h ARG 4 Cb 0.00 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2x3y h ARG 4 CO 0.00 0.32 -0.03 0.93 -1.51 0.00 0.00 179.97 179.68 2x3y h GLU 5 N 0.50 0.16 -0.95 0.20 5.08 -2.05 -1.02 114.58 116.49 2x3y h GLU 5 Ca 0.27 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2x3y h GLU 5 Cb 0.42 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2x3y h GLU 5 CO -0.08 0.51 0.63 1.25 -1.00 0.00 0.00 179.01 180.31 2x3y h LEU 6 N -0.20 1.08 -0.69 1.33 5.85 -2.00 -1.12 115.31 119.56 2x3y h LEU 6 Ca 0.02 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2x3y h LEU 6 Cb 0.46 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2x3y h LEU 6 CO 0.01 0.77 0.43 0.74 -0.34 0.00 0.00 178.44 180.05 2x3y h THR 7 N 1.27 1.19 -0.40 1.05 2.02 -1.54 0.21 112.91 116.71 2x3y h THR 7 Ca 0.35 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2x3y h THR 7 Cb -0.12 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2x3y h THR 7 CO -0.08 0.20 0.18 0.22 0.37 0.00 0.00 175.52 176.40 2x3y h TYR 8 N 0.94 0.60 0.24 3.16 3.20 -0.73 -0.53 116.97 123.85 2x3y h TYR 8 Ca 0.25 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2x3y h TYR 8 Cb -0.05 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 2x3y h TYR 8 CO -0.02 0.51 -0.18 0.82 -1.64 0.00 0.00 178.16 177.66 2x3y h ILE 9 N 0.51 0.62 -0.36 1.81 2.04 -0.84 -1.85 117.51 119.44 2x3y h ILE 9 Ca 0.14 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 2x3y h ILE 9 Cb 0.15 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2x3y h ILE 9 CO -0.01 0.00 0.05 0.71 0.00 0.00 0.00 178.15 178.89 2x3y h THR 10 N -0.42 1.24 -0.86 -0.27 1.35 -0.91 -2.72 112.91 110.32 2x3y h THR 10 Ca -0.01 -0.87 0.11 0.00 -0.55 0.00 0.00 66.41 65.09 2x3y h THR 10 Cb 0.37 1.12 -0.08 0.00 -1.73 0.00 0.00 68.15 67.83 2x3y h THR 10 CO -0.01 0.29 0.49 0.78 -0.25 0.00 0.00 175.52 176.82 2x3y h ASN 11 N 0.43 0.67 -0.48 5.36 2.35 -1.08 0.22 115.58 123.05 2x3y h ASN 11 Ca 0.11 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 2x3y h ASN 11 Cb 0.38 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2x3y h ASN 11 CO 0.01 0.36 0.14 0.28 -1.65 0.00 0.00 177.43 176.56 2x3y h SER 12 N 0.78 0.71 -0.40 5.81 0.02 -1.10 -0.28 113.55 119.08 2x3y h SER 12 Ca 0.43 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 2x3y h SER 12 Cb 0.47 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2x3y h SER 12 CO -0.28 0.74 -0.11 0.40 -1.14 0.00 0.00 176.83 176.44 2x3y h ILE 13 N 0.65 1.28 -0.57 3.27 2.04 -1.18 -2.42 117.51 120.58 2x3y h ILE 13 Ca 0.15 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.84 2x3y h ILE 13 Cb 0.29 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2x3y h ILE 13 CO -0.00 0.40 0.34 0.00 0.00 0.00 0.00 178.15 178.89 2x3y h ALA 14 N 0.84 0.73 -0.88 1.87 0.00 -0.78 -0.69 119.26 120.36 2x3y h ALA 14 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2x3y h ALA 14 Cb 0.63 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2x3y h ALA 14 CO 0.04 0.05 0.57 1.49 0.00 0.00 0.00 179.25 181.40 2x3y h GLU 15 N 0.66 1.17 -0.46 0.00 4.57 -0.99 0.46 114.58 119.98 2x3y h GLU 15 Ca 0.23 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.25 2x3y h GLU 15 Cb 0.05 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 2x3y h GLU 15 CO -0.11 0.79 -0.07 0.00 -1.18 0.00 0.00 179.01 178.44 2x3y h ALA 16 N 1.31 1.02 -0.55 2.92 0.00 -0.87 -0.78 119.26 122.33 2x3y h ALA 16 Ca 0.32 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2x3y h ALA 16 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2x3y h ALA 16 CO -0.07 0.59 0.07 0.37 0.00 0.00 0.00 179.25 180.22 2x3y h GLN 17 N 0.73 0.88 -0.30 0.00 4.15 -0.61 -2.15 115.11 117.81 2x3y h GLN 17 Ca 0.13 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2x3y h GLN 17 Cb 0.54 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2x3y h GLN 17 CO 0.03 0.83 0.16 -0.09 -1.93 0.00 0.00 178.83 177.83 2x3y h ARG 18 N 0.83 0.42 -0.18 1.69 2.43 -0.35 -1.86 114.38 117.35 2x3y h ARG 18 Ca 0.17 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2x3y h ARG 18 Cb 0.39 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2x3y h ARG 18 CO 0.01 0.37 -0.01 0.28 -1.51 0.00 0.00 179.97 179.11 2x3y h VAL 19 N 0.36 0.86 -0.66 0.20 2.07 -0.83 0.15 116.25 118.39 2x3y h VAL 19 Ca 0.10 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.65 2x3y h VAL 19 Cb 0.07 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2x3y h VAL 19 CO -0.02 0.01 0.40 0.24 0.02 0.00 0.00 177.57 178.22 2x3y h MET 20 N 0.04 0.74 -0.33 1.57 2.86 -1.33 -0.49 114.93 118.00 2x3y h MET 20 Ca 0.09 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2x3y h MET 20 Cb 0.11 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2x3y h MET 20 CO -0.16 0.49 0.19 0.00 1.06 0.00 0.00 176.91 178.49 2x3y h ALA 21 N 1.31 0.42 -0.77 6.32 0.00 -0.72 -0.49 119.26 125.33 2x3y h ALA 21 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2x3y h ALA 21 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2x3y h ALA 21 CO -0.13 -0.06 0.42 0.00 0.00 0.00 0.00 179.25 179.48 2x3y h ALA 22 N 1.06 1.30 -0.45 0.00 0.00 -0.24 -2.27 119.26 118.67 2x3y h ALA 22 Ca 0.12 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2x3y h ALA 22 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2x3y h ALA 22 CO -0.02 0.57 -0.26 0.52 0.00 0.00 0.00 179.25 180.06 2x3y h MET 23 N 1.07 0.97 0.00 0.00 2.86 -0.82 -2.71 114.93 116.30 2x3y h MET 23 Ca 0.27 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2x3y h MET 23 Cb 0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2x3y h MET 23 CO -0.04 1.10 -0.12 1.25 1.06 0.00 0.00 176.91 180.16 2x3y h LEU 24 N 0.82 0.00 -1.61 1.22 5.85 -0.66 -2.25 115.31 118.67 2x3y h LEU 24 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2x3y h LEU 24 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2x3y h LEU 24 CO 0.07 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.29 2x3y n ALA 25 N -2.43 2.50 -3.17 1.25 0.00 -0.89 -4.77 120.51 112.99 2x3y n ALA 25 Ca -0.02 -0.63 -0.45 0.00 0.00 0.00 0.00 53.44 52.33 2x3y n ALA 25 Cb 0.20 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.92 6.48 0.43 0.00 -1.08 -0.85 -4.91 116.67 114.83 2x3y s ASP 26 Ca 0.33 -2.04 0.14 0.00 -0.52 0.00 0.00 52.55 50.45 2x3y s ASP 26 Cb 0.20 -2.28 1.02 0.00 -1.46 0.00 0.00 42.92 40.40 2x3y s ASP 26 CO 0.31 -0.89 1.97 -0.08 0.52 0.00 0.00 175.17 177.00 2x3y h GLU 27 N 8.59 0.41 0.07 4.34 4.81 -1.86 -2.14 114.58 128.80 2x3y h GLU 27 Ca -0.06 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.87 2x3y h GLU 27 Cb 1.06 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 2x3y h GLU 27 CO 0.98 0.27 -1.42 -0.09 -0.73 0.00 0.00 179.01 178.01 2x3y h ARG 28 N 0.42 0.15 0.21 1.92 2.43 -1.95 -2.42 114.38 115.13 2x3y h ARG 28 Ca 0.29 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2x3y h ARG 28 Cb 0.57 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2x3y h ARG 28 CO -0.08 0.98 -0.13 1.25 -1.51 0.00 0.00 179.97 180.48 2x3y h LEU 29 N 0.04 -0.32 -0.54 3.80 6.46 -1.82 -1.66 115.31 121.27 2x3y h LEU 29 Ca -0.19 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.65 2x3y h LEU 29 Cb 1.95 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.93 2x3y h LEU 29 CO 0.14 -0.21 0.26 -0.07 -0.62 0.00 0.00 178.44 177.94 2x3y h LEU 30 N -0.32 0.36 -1.84 2.25 3.38 -1.42 0.20 115.31 117.91 2x3y h LEU 30 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2x3y h LEU 30 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2x3y h LEU 30 CO 0.02 0.24 0.08 0.00 0.09 0.00 0.00 178.44 178.87 2x3y h ALA 31 N 1.31 1.88 -0.06 1.53 0.00 -1.36 -2.52 119.26 120.03 2x3y h ALA 31 Ca 0.25 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 2x3y h ALA 31 Cb 0.18 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2x3y h ALA 31 CO -0.19 0.11 -0.81 1.15 0.00 0.00 0.00 179.25 179.51 2x3y h THR 32 N 0.19 1.32 -0.47 0.00 2.02 -0.05 -2.20 112.91 113.72 2x3y h THR 32 Ca 0.05 -2.07 0.09 0.00 0.77 0.00 0.00 66.41 65.25 2x3y h THR 32 Cb -0.00 2.28 -0.08 0.00 -1.74 0.00 0.00 68.15 68.60 2x3y h THR 32 CO -0.01 0.64 -0.02 0.58 0.37 0.00 0.00 175.52 177.08 2x3y h VAL 33 N 0.31 0.61 -0.25 3.16 2.07 -0.75 0.35 116.25 121.75 2x3y h VAL 33 Ca -0.08 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 2x3y h VAL 33 Cb 1.47 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2x3y h VAL 33 CO 0.16 0.02 -0.37 0.08 0.02 0.00 0.00 177.57 177.48 2x3y h ARG 34 N 0.09 0.57 -0.63 1.57 -0.00 -1.43 -1.80 114.38 112.75 2x3y h ARG 34 Ca 0.24 -0.28 -0.03 0.00 -0.00 0.00 0.00 59.98 59.91 2x3y h ARG 34 Cb 0.36 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.29 2x3y h ARG 34 CO -0.41 0.86 0.27 0.87 -0.00 0.00 0.00 179.97 181.55 2x3y h LYS 35 N 0.48 0.92 0.09 0.08 1.57 -0.69 0.84 116.57 119.85 2x3y h LYS 35 Ca 0.05 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2x3y h LYS 35 Cb 0.86 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 2x3y h LYS 35 CO 0.07 0.74 -0.06 0.28 -0.57 0.00 0.00 179.45 179.91 2x3y h VAL 36 N 0.91 0.86 -0.47 0.50 2.07 -0.42 0.10 116.25 119.79 2x3y h VAL 36 Ca 0.22 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.82 2x3y h VAL 36 Cb 0.15 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2x3y h VAL 36 CO -0.02 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.64 2x3y h ALA 37 N 0.76 0.51 -0.77 1.67 0.00 -1.01 -1.69 119.26 118.73 2x3y h ALA 37 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x3y h ALA 37 Cb 0.14 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2x3y h ALA 37 CO -0.01 -0.33 0.49 -0.44 0.00 0.00 0.00 179.25 178.96 2x3y h ASP 38 N 0.20 0.89 -0.17 0.00 3.32 -0.44 -1.45 116.42 118.76 2x3y h ASP 38 Ca 0.24 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2x3y h ASP 38 Cb 0.32 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2x3y h ASP 38 CO -0.33 0.67 0.10 0.00 -1.72 0.00 0.00 179.24 177.96 2x3y h ALA 39 N 1.49 0.22 -0.43 3.45 0.00 0.06 -1.05 119.26 123.01 2x3y h ALA 39 Ca 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2x3y h ALA 39 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2x3y h ALA 39 CO -0.06 -0.26 0.18 0.00 0.00 0.00 0.00 179.25 179.11 2x3y h ILE 41 N 0.55 0.86 -0.75 0.00 2.04 -1.16 -0.95 117.51 118.09 2x3y h ILE 41 Ca 0.14 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 2x3y h ILE 41 Cb 0.17 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2x3y h ILE 41 CO -0.01 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.39 2x3y h ALA 42 N 1.13 0.98 0.24 1.87 0.00 -1.04 -0.19 119.26 122.26 2x3y h ALA 42 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2x3y h ALA 42 Cb 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2x3y h ALA 42 CO -0.15 0.66 -0.12 1.03 0.00 0.00 0.00 179.25 180.67 2x3y h SER 43 N 1.11 -0.27 -0.73 0.00 0.87 -0.96 -2.56 113.55 111.00 2x3y h SER 43 Ca 0.24 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2x3y h SER 43 Cb 0.29 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2x3y h SER 43 CO -0.01 -0.16 0.37 0.40 -0.53 0.00 0.00 176.83 176.90 2x3y h ILE 44 N -0.37 1.23 0.00 2.23 2.04 -1.10 0.22 117.51 121.77 2x3y h ILE 44 Ca -0.03 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2x3y h ILE 44 Cb 0.28 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2x3y h ILE 44 CO 0.05 0.27 -0.04 0.00 0.00 0.00 0.00 178.15 178.44 2x3y h ALA 45 N 1.35 1.17 -0.34 1.87 0.00 -0.86 -1.88 119.26 120.57 2x3y h ALA 45 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2x3y h ALA 45 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2x3y h ALA 45 CO -0.04 0.05 0.00 0.94 0.00 0.00 0.00 179.25 180.20 2x3y n GLN 46 N -3.38 2.31 0.00 0.00 0.00 -0.79 -4.93 117.38 110.58 2x3y n GLN 46 Ca -0.02 -2.12 0.00 0.00 -0.00 0.00 0.00 57.00 54.86 2x3y n GLN 46 Cb 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 28.96 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 1.24 0.98 1.94 1.69 0.00 -0.70 -5.08 105.19 105.26 2x3y n GLY 47 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.58 -0.10 3.23 -0.02 0.00 0.72 -4.95 105.19 102.47 2x3y n GLY 48 Ca 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 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 -4.03 1.16 -0.15 1.61 -2.85 -1.26 -4.30 119.74 109.93 2x3y s LYS 49 Ca 0.35 -1.53 -0.02 0.00 -1.00 0.00 0.00 55.97 53.77 2x3y s LYS 49 Cb -0.02 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 2x3y s LYS 49 CO 0.24 -0.38 -0.09 0.08 0.10 0.00 0.00 175.35 175.29 2x3y s VAL 50 N -4.11 3.34 -0.00 1.79 1.01 -0.68 -1.86 120.40 119.88 2x3y s VAL 50 Ca 0.33 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2x3y s VAL 50 Cb 0.06 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2x3y s VAL 50 CO 0.09 0.50 -0.02 -0.76 0.00 0.00 0.00 175.10 174.91 2x3y s LEU 51 N 0.55 3.43 0.04 3.92 1.43 0.04 -0.70 118.68 127.38 2x3y s LEU 51 Ca -0.06 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2x3y s LEU 51 Cb -0.15 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2x3y s LEU 51 CO 0.03 0.28 -0.18 -0.76 0.23 0.00 0.00 176.35 175.95 2x3y s LEU 52 N -1.51 2.16 -0.04 1.79 1.02 -0.65 -0.32 118.68 121.12 2x3y s LEU 52 Ca 0.19 -0.48 -0.04 0.00 0.02 0.00 0.00 54.13 53.81 2x3y s LEU 52 Cb -0.11 -0.84 0.01 0.00 0.02 0.00 0.00 46.19 45.26 2x3y s LEU 52 CO 0.09 0.12 0.12 0.00 0.02 0.00 0.00 176.35 176.70 2x3y s ALA 53 N -0.79 -0.29 -0.05 4.21 0.00 -0.31 -0.57 121.76 123.96 2x3y s ALA 53 Ca 0.05 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 2x3y s ALA 53 Cb -0.08 -0.18 0.11 0.00 0.00 0.00 0.00 23.12 22.97 2x3y s ALA 53 CO 0.01 -0.07 0.99 0.20 0.00 0.00 0.00 175.76 176.90 2x3y s GLY 54 N -0.03 -0.40 0.09 0.00 0.00 -1.26 -0.73 107.32 104.99 2x3y s GLY 54 Ca -0.01 1.13 0.05 0.00 0.00 0.00 0.00 44.72 45.89 2x3y s GLY 54 CO 0.00 0.37 -0.01 -1.31 0.00 0.00 0.00 173.10 172.15 2x3y s ASN 55 N -2.43 4.97 1.67 1.64 0.01 -1.26 -3.76 114.94 115.77 2x3y s ASN 55 Ca 0.07 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 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 -0.07 0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 2x3y n GLY 56 N 0.58 3.91 0.28 0.66 0.00 -1.26 -1.15 105.19 108.21 2x3y n GLY 56 Ca -0.11 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 1.14 2.00 -0.02 0.00 -2.01 -0.22 103.07 103.97 2x3y h GLY 57 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2x3y h GLY 57 CO 0.00 -0.06 0.00 1.44 0.00 0.00 0.00 176.54 177.92 2x3y n SER 58 N -4.96 0.49 -0.05 0.19 7.64 -0.30 -1.63 113.62 115.00 2x3y n SER 58 Ca 0.14 0.60 -0.16 0.00 1.01 0.00 0.00 58.87 60.46 2x3y n SER 58 Cb 0.39 -0.71 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 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 2.43 0.36 -0.32 -0.43 0.00 -0.92 -1.71 119.26 118.66 2x3y h ALA 59 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.39 2x3y h ALA 59 Cb 0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2x3y h ALA 59 CO 0.00 0.61 0.18 0.00 0.00 0.00 0.00 179.25 180.04 2x3y h ALA 60 N 0.60 0.40 -0.26 0.00 0.00 -1.11 -2.95 119.26 115.95 2x3y h ALA 60 Ca -0.02 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2x3y h ALA 60 Cb 1.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2x3y h ALA 60 CO 0.13 -0.18 0.05 -0.44 0.00 0.00 0.00 179.25 178.81 2x3y h ASP 61 N 0.38 0.01 -0.74 0.00 3.32 -1.42 -0.71 116.42 117.26 2x3y h ASP 61 Ca 0.13 0.04 0.17 0.00 0.02 0.00 0.00 57.03 57.39 2x3y h ASP 61 Cb 0.01 0.05 -0.13 0.00 0.22 0.00 0.00 39.33 39.48 2x3y h ASP 61 CO -0.06 0.04 0.03 0.00 -1.72 0.00 0.00 179.24 177.53 2x3y h ALA 62 N 1.19 0.81 0.04 3.45 0.00 -1.16 -1.31 119.26 122.28 2x3y h ALA 62 Ca 0.12 0.23 -0.23 0.00 0.00 0.00 0.00 54.91 55.03 2x3y h ALA 62 Cb 0.12 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2x3y h ALA 62 CO -0.15 -0.41 -1.05 -0.56 0.00 0.00 0.00 179.25 177.07 2x3y h GLN 63 N 0.13 0.13 -0.51 0.00 3.07 -1.34 -2.47 115.11 114.11 2x3y h GLN 63 Ca 0.41 -0.20 0.08 0.00 0.09 0.00 0.00 58.65 59.03 2x3y h GLN 63 Cb 0.72 0.07 -0.10 0.00 0.08 0.00 0.00 27.48 28.25 2x3y h GLN 63 CO -0.63 1.06 -0.43 1.25 0.09 0.00 0.00 178.83 180.16 2x3y h HIS 64 N 0.05 -1.27 -0.46 0.06 2.76 -0.15 0.11 115.15 116.25 2x3y h HIS 64 Ca -0.06 0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 2x3y h HIS 64 Cb 1.77 0.63 -0.02 0.00 1.55 0.00 0.00 27.41 31.34 2x3y h HIS 64 CO 0.03 -0.43 -0.06 0.82 -1.30 0.00 0.00 177.93 176.99 2x3y h ILE 65 N -0.26 1.27 -0.75 6.26 1.08 -1.26 -2.72 117.51 121.12 2x3y h ILE 65 Ca 0.16 -1.15 0.08 0.00 -0.39 0.00 0.00 64.86 63.56 2x3y h ILE 65 Cb 0.57 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 2x3y h ILE 65 CO -0.64 0.40 0.42 0.00 -0.69 0.00 0.00 178.15 177.63 2x3y h ALA 66 N 0.89 1.03 -0.98 1.87 0.00 -1.07 -1.24 119.26 119.77 2x3y h ALA 66 Ca 0.12 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2x3y h ALA 66 Cb 0.58 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2x3y h ALA 66 CO 0.04 0.08 0.63 0.78 0.00 0.00 0.00 179.25 180.77 2x3y h GLY 67 N 0.74 1.49 1.88 0.00 0.00 -0.50 -0.90 103.07 105.77 2x3y h GLY 67 Ca 0.35 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2x3y h GLY 67 CO -0.22 0.28 -0.27 0.83 0.00 0.00 0.00 176.54 177.17 2x3y h GLU 68 N 1.09 0.00 -0.10 4.80 5.08 -1.01 -0.33 114.58 124.10 2x3y h GLU 68 Ca 0.44 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.70 2x3y h GLU 68 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2x3y h GLU 68 CO -0.19 0.14 -0.32 0.74 -1.00 0.00 0.00 179.01 178.38 2x3y h PHE 69 N 0.00 0.52 0.15 4.33 0.04 -0.89 -3.24 116.94 117.86 2x3y h PHE 69 Ca -0.01 -0.21 -0.22 0.00 2.80 0.00 0.00 57.97 60.33 2x3y h PHE 69 Cb 1.12 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 39.20 2x3y h PHE 69 CO 0.00 0.94 -1.00 0.28 -0.60 0.00 0.00 178.31 177.92 2x3y h VAL 70 N -0.05 1.41 0.00 -0.55 2.07 -1.12 -0.61 116.25 117.40 2x3y h VAL 70 Ca -0.01 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.96 2x3y h VAL 70 Cb 0.95 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 2x3y h VAL 70 CO 0.07 0.73 0.00 -0.24 0.02 0.00 0.00 177.57 178.15 2x3y n SER 71 N -4.03 0.00 -3.59 0.57 2.88 -0.14 -4.20 113.62 105.11 2x3y n SER 71 Ca -0.16 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.26 2x3y n SER 71 Cb 0.88 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.25 1.06 -0.01 -1.46 1.70 -1.25 -4.70 118.95 114.55 2x3y s ARG 72 Ca 0.00 -0.44 -0.02 0.00 -0.47 0.00 0.00 55.73 54.80 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 -0.03 0.34 -1.08 0.00 0.00 175.30 174.13 2x3y n PHE 73 N 0.10 0.00 -0.02 5.89 -0.00 -1.22 -4.61 117.46 117.60 2x3y n PHE 73 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 2x3y n PHE 73 Cb 0.62 -0.04 -0.07 0.00 -0.00 0.00 0.00 39.48 39.99 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 -2.71 2.08 -3.24 3.13 0.00 -1.26 -5.07 120.51 113.44 2x3y n ALA 74 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 2x3y n ALA 74 Cb 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.41 -0.10 0.11 0.00 -0.12 -1.26 -5.14 117.98 109.05 2x3y s PHE 75 Ca -0.04 -0.23 -0.31 0.00 -0.05 0.00 0.00 56.93 56.30 2x3y s PHE 75 Cb 0.04 0.35 -0.07 0.00 -0.63 0.00 0.00 43.02 42.71 2x3y s PHE 75 CO 0.35 -0.88 1.35 -0.51 -0.05 0.00 0.00 175.22 175.47 2x3y s ASP 76 N -2.87 6.88 0.24 1.98 1.11 -1.26 -4.87 116.67 117.88 2x3y s ASP 76 Ca 0.09 2.26 -0.21 0.00 0.18 0.00 0.00 52.55 54.87 2x3y s ASP 76 Cb -0.00 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.47 2x3y s ASP 76 CO -0.04 -0.61 0.95 0.00 1.18 0.00 0.00 175.17 176.65 2x3y s ARG 77 N 1.06 1.58 0.85 8.23 1.04 -1.26 -5.15 118.95 125.30 2x3y s ARG 77 Ca 0.63 -1.00 -0.10 0.00 -1.04 0.00 0.00 55.73 54.21 2x3y s ARG 77 Cb -0.35 0.45 0.10 0.00 -2.04 0.00 0.00 34.95 33.11 2x3y s ARG 77 CO 0.30 -0.74 1.12 -2.14 -0.04 0.00 0.00 175.30 173.81 2x3y s PRO 78 N -2.35 1.58 0.45 3.89 0.02 -1.26 -4.98 135.00 132.35 2x3y s PRO 78 Ca 0.19 1.39 -0.24 0.00 0.02 0.00 0.00 61.00 62.36 2x3y s PRO 78 Cb -0.03 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 2x3y s PRO 78 CO 0.07 -2.18 1.21 0.20 -0.33 0.00 0.00 177.00 175.96 2x3y s GLY 79 N -2.98 2.83 0.12 0.52 0.00 -1.26 -4.98 107.32 101.57 2x3y s GLY 79 Ca 0.64 1.03 0.03 0.00 0.00 0.00 0.00 44.72 46.42 2x3y s GLY 79 CO 0.57 1.52 0.15 1.08 0.00 0.00 0.00 173.10 176.43 2x3y s LEU 80 N -2.87 3.98 -0.99 0.66 1.43 -0.24 -4.98 118.68 115.68 2x3y s LEU 80 Ca 0.62 0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 53.51 2x3y s LEU 80 Cb -0.32 -2.61 0.05 0.00 0.03 0.00 0.00 46.19 43.35 2x3y s LEU 80 CO 0.39 0.12 1.41 -2.84 0.23 0.00 0.00 176.35 175.66 2x3y s PRO 81 N -2.80 3.55 -0.01 1.29 0.02 -1.26 -3.89 135.00 131.90 2x3y s PRO 81 Ca 0.32 -1.07 0.03 0.00 0.02 0.00 0.00 61.00 60.30 2x3y s PRO 81 Cb -0.11 -5.21 -0.01 0.00 0.02 0.00 0.00 34.50 29.19 2x3y s PRO 81 CO 0.25 -2.18 -0.10 0.00 -0.33 0.00 0.00 177.00 174.64 2x3y s ALA 82 N 4.92 0.84 -0.10 -1.55 0.00 -1.26 -1.69 121.76 122.93 2x3y s ALA 82 Ca 0.44 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 2x3y s ALA 82 Cb -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2x3y s ALA 82 CO -0.07 0.20 -0.06 0.08 0.00 0.00 0.00 175.76 175.91 2x3y s VAL 83 N -0.27 0.87 0.01 0.00 1.01 0.12 -4.87 120.40 117.27 2x3y s VAL 83 Ca 0.04 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2x3y s VAL 83 Cb -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2x3y s VAL 83 CO -0.00 0.34 0.92 0.00 0.00 0.00 0.00 175.10 176.36 2x3y s ALA 84 N 1.74 3.21 -0.43 5.51 0.00 -1.26 -1.64 121.76 128.89 2x3y s ALA 84 Ca 0.04 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.54 2x3y s ALA 84 Cb -0.13 -3.26 0.50 0.00 0.00 0.00 0.00 23.12 20.23 2x3y s ALA 84 CO -0.07 -0.16 1.42 1.28 0.00 0.00 0.00 175.76 178.22 2x3y n LEU 85 N 3.65 4.59 -0.07 0.00 4.77 0.26 -4.09 117.00 126.11 2x3y n LEU 85 Ca 0.04 -2.37 0.02 0.00 -0.03 0.00 0.00 56.01 53.67 2x3y n LEU 85 Cb 0.51 -0.66 0.04 0.00 -2.33 0.00 0.00 43.42 40.98 2x3y n LEU 85 CO 0.51 0.63 0.53 0.35 -1.33 0.00 0.00 177.39 178.08 2x3y n THR 86 N 0.04 1.20 -0.08 -5.08 -2.24 -1.26 -4.79 114.28 102.06 2x3y n THR 86 Ca 0.26 -1.27 -0.10 0.00 -2.27 0.00 0.00 64.05 60.67 2x3y n THR 86 Cb 1.02 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.63 1.01 -2.69 4.28 -2.24 -1.26 -4.90 114.28 107.85 2x3y n THR 87 Ca 0.04 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 2x3y n THR 87 Cb 0.35 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 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 6.29 0.42 3.42 -1.08 -1.26 -4.89 116.67 114.25 2x3y s ASP 88 Ca -0.17 -0.37 0.29 0.00 -0.52 0.00 0.00 52.55 51.78 2x3y s ASP 88 Cb 0.05 -2.50 1.05 0.00 -1.46 0.00 0.00 42.92 40.06 2x3y s ASP 88 CO 0.49 -1.51 1.83 0.71 0.52 0.00 0.00 175.17 177.21 2x3y h THR 89 N 6.05 0.00 -0.15 1.71 1.35 -1.99 -0.22 112.91 119.66 2x3y h THR 89 Ca -0.27 -0.51 -0.12 0.00 -0.55 0.00 0.00 66.41 64.96 2x3y h THR 89 Cb 1.06 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2x3y h THR 89 CO 1.19 0.00 -0.36 0.28 -0.25 0.00 0.00 175.52 176.38 2x3y h SER 90 N 0.00 0.58 0.07 5.36 0.02 -1.99 -2.40 113.55 115.20 2x3y h SER 90 Ca 0.00 -0.57 -0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2x3y h SER 90 Cb 0.57 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2x3y h SER 90 CO 0.00 1.05 -0.03 0.40 -1.14 0.00 0.00 176.83 177.11 2x3y h ILE 91 N 0.15 1.02 -0.06 3.27 2.04 -1.82 -0.69 117.51 121.42 2x3y h ILE 91 Ca -0.00 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2x3y h ILE 91 Cb 0.97 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2x3y h ILE 91 CO 0.08 0.07 -0.04 -0.07 0.00 0.00 0.00 178.15 178.19 2x3y h LEU 92 N -0.21 -0.14 -0.78 1.44 3.38 -1.13 -1.08 115.31 116.79 2x3y h LEU 92 Ca -0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2x3y h LEU 92 Cb 0.18 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2x3y h LEU 92 CO 0.01 -0.06 -0.33 0.71 0.09 0.00 0.00 178.44 178.86 2x3y h THR 93 N -0.05 0.71 -0.05 0.22 1.35 -1.44 -2.06 112.91 111.59 2x3y h THR 93 Ca 0.04 -1.49 -0.05 0.00 -0.55 0.00 0.00 66.41 64.36 2x3y h THR 93 Cb 0.11 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2x3y h THR 93 CO -0.09 0.32 -0.15 0.00 -0.25 0.00 0.00 175.52 175.35 2x3y h ALA 94 N 1.67 0.09 -0.26 6.62 0.00 -0.83 -2.68 119.26 123.86 2x3y h ALA 94 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2x3y h ALA 94 Cb 0.95 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2x3y h ALA 94 CO 0.04 0.01 0.09 0.82 0.00 0.00 0.00 179.25 180.21 2x3y h ILE 95 N -0.33 1.11 0.47 0.00 2.04 -1.18 0.21 117.51 119.83 2x3y h ILE 95 Ca -0.00 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2x3y h ILE 95 Cb 0.77 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2x3y h ILE 95 CO 0.03 0.14 -0.45 1.23 0.00 0.00 0.00 178.15 179.09 2x3y h GLY 96 N 0.52 -1.21 0.84 5.37 0.00 -1.27 -0.98 103.07 106.34 2x3y h GLY 96 Ca 0.09 0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.96 2x3y h GLY 96 CO -0.01 -0.37 0.03 3.43 0.00 0.00 0.00 176.54 179.63 2x3y h ASN 97 N -0.92 0.31 -0.02 0.19 4.21 -1.23 -2.11 115.58 116.01 2x3y h ASN 97 Ca -0.06 -0.25 -0.18 0.00 1.21 0.00 0.00 56.30 57.01 2x3y h ASN 97 Cb 0.79 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.91 2x3y h ASN 97 CO -0.05 0.49 -0.63 0.44 -1.29 0.00 0.00 177.43 176.39 2x3y h ASP 98 N 0.12 0.73 0.00 5.81 3.32 -0.60 -3.39 116.42 122.42 2x3y h ASP 98 Ca 0.06 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2x3y h ASP 98 Cb 0.31 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2x3y h ASP 98 CO 0.00 1.18 0.00 -1.22 -1.72 0.00 0.00 179.24 177.48 2x3y n TYR 99 N -3.94 0.00 0.00 4.55 4.01 -0.46 -5.06 117.16 116.26 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 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 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 0.15 2.09 0.26 2.72 0.00 -0.69 -4.67 105.19 105.04 2x3y n GLY 100 Ca 0.00 -1.65 0.17 0.00 0.00 0.00 0.00 46.02 44.54 2x3y n GLY 100 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2x3y h TYR 101 N 0.00 0.00 0.00 1.61 -1.99 -1.77 -1.48 116.97 113.34 2x3y h TYR 101 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2x3y h TYR 101 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2x3y h TYR 101 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 178.16 179.65 2x3y h GLU 102 N 0.00 0.00 -0.00 4.88 4.81 -1.93 -2.95 114.58 119.39 2x3y h GLU 102 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2x3y h GLU 102 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2x3y h GLU 102 CO 0.00 0.00 -0.62 1.63 -0.73 0.00 0.00 179.01 179.29 2x3y n LYS 103 N -2.32 0.18 -0.16 1.92 4.76 -0.56 -4.43 118.16 117.57 2x3y n LYS 103 Ca 0.01 -0.13 0.02 0.00 -2.87 0.00 0.00 58.31 55.34 2x3y n LYS 103 Cb 0.19 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.93 2x3y n LYS 103 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2x3y n LEU 104 N -1.30 -0.20 -0.08 -0.35 7.94 -1.11 -1.17 117.00 120.73 2x3y n LEU 104 Ca 0.06 0.75 -0.10 0.00 -1.11 0.00 0.00 56.01 55.60 2x3y n LEU 104 Cb 0.34 -0.21 -0.10 0.00 0.53 0.00 0.00 43.42 43.99 2x3y n LEU 104 CO 0.36 -0.70 -1.05 0.49 -1.11 0.00 0.00 177.39 175.38 2x3y n PHE 105 N -4.68 0.00 -0.08 1.96 0.99 -1.26 -4.17 117.46 110.22 2x3y n PHE 105 Ca 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.57 2x3y n PHE 105 Cb 0.20 -0.72 0.41 0.00 -1.00 0.00 0.00 39.48 38.37 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 0.52 -0.12 4.37 4.64 -1.64 -0.13 113.55 121.20 2x3y h SER 106 Ca -0.41 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.81 2x3y h SER 106 Cb 1.76 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 2x3y h SER 106 CO -0.02 0.35 -0.33 -0.09 -0.87 0.00 0.00 176.83 175.87 2x3y h ARG 107 N 0.60 0.43 -0.68 4.77 2.43 -1.36 -1.77 114.38 118.80 2x3y h ARG 107 Ca 0.23 -0.30 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2x3y h ARG 107 Cb 0.14 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 2x3y h ARG 107 CO -0.06 0.92 0.40 1.96 -1.51 0.00 0.00 179.97 181.68 2x3y h GLN 108 N 0.01 0.72 -0.43 0.20 4.20 -1.60 -0.57 115.11 117.64 2x3y h GLN 108 Ca -0.01 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.68 2x3y h GLN 108 Cb 0.94 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 2x3y h GLN 108 CO 0.07 0.48 0.24 0.28 -0.67 0.00 0.00 178.83 179.23 2x3y h VAL 109 N 0.74 1.03 -0.77 -0.54 2.07 -0.99 -1.33 116.25 116.46 2x3y h VAL 109 Ca 0.30 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2x3y h VAL 109 Cb 0.14 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2x3y h VAL 109 CO -0.16 0.09 0.49 -0.61 0.02 0.00 0.00 177.57 177.40 2x3y h GLN 110 N 0.49 1.02 0.33 1.57 -0.00 -0.80 0.13 115.11 117.85 2x3y h GLN 110 Ca 0.17 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.73 2x3y h GLN 110 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.28 2x3y h GLN 110 CO -0.09 0.69 -0.16 0.00 0.00 0.00 0.00 178.83 179.28 2x3y h ALA 111 N 1.27 -0.44 0.00 3.38 0.00 -0.93 -3.40 119.26 119.14 2x3y h ALA 111 Ca 0.28 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2x3y h ALA 111 Cb -0.09 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2x3y h ALA 111 CO -0.06 -0.57 -1.87 1.28 0.00 0.00 0.00 179.25 178.04 2x3y n LEU 112 N -5.14 0.31 -4.77 0.00 4.77 -0.52 -4.99 117.00 106.67 2x3y n LEU 112 Ca -0.10 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.63 2x3y n LEU 112 Cb 0.27 0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2x3y n LEU 112 CO 0.30 0.17 0.92 -0.83 -1.33 0.00 0.00 177.39 176.62 2x3y s GLY 113 N -4.86 2.89 0.10 -0.72 0.00 0.46 -5.05 107.32 100.15 2x3y s GLY 113 Ca -0.07 1.15 0.06 0.00 0.00 0.00 0.00 44.72 45.87 2x3y s GLY 113 CO 0.85 1.70 -0.16 -1.31 0.00 0.00 0.00 173.10 174.19 2x3y s ASN 114 N -0.91 2.02 0.14 1.64 0.01 -1.26 -4.92 114.94 111.66 2x3y s ASN 114 Ca 0.59 -0.71 -0.34 0.00 -0.71 0.00 0.00 52.86 51.69 2x3y s ASN 114 Cb -0.36 -0.08 -0.16 0.00 0.41 0.00 0.00 41.25 41.06 2x3y s ASN 114 CO 0.45 -0.07 1.10 1.21 -1.51 0.00 0.00 177.10 178.28 2x3y n GLU 115 N 0.93 0.88 0.00 -0.60 2.13 -1.23 -0.94 120.64 121.82 2x3y n GLU 115 Ca -0.18 0.31 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2x3y n GLU 115 Cb 0.55 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.49 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 1.97 2.28 3.55 8.31 0.00 -0.84 -4.96 105.19 115.51 2x3y n GLY 116 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.78 1.11 -0.04 1.61 1.01 -0.11 -4.67 116.67 113.80 2x3y s ASP 117 Ca 0.00 0.99 0.06 0.00 0.71 0.00 0.00 52.55 54.31 2x3y s ASP 117 Cb 0.00 -1.49 -0.01 0.00 1.01 0.00 0.00 42.92 42.43 2x3y s ASP 117 CO 0.00 -4.04 -0.21 -0.69 0.21 0.00 0.00 175.17 170.44 2x3y s VAL 118 N -2.78 1.69 -0.19 -1.27 1.01 -0.78 -1.51 120.40 116.58 2x3y s VAL 118 Ca 0.68 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2x3y s VAL 118 Cb -0.16 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2x3y s VAL 118 CO 0.58 0.48 -0.06 -0.22 0.00 0.00 0.00 175.10 175.88 2x3y s LEU 119 N -0.20 2.93 -0.28 3.92 2.96 0.16 -0.78 118.68 127.38 2x3y s LEU 119 Ca 0.00 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 2x3y s LEU 119 Cb -0.11 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 2x3y s LEU 119 CO 0.02 0.06 0.10 -0.63 -1.32 0.00 0.00 176.35 174.57 2x3y s ILE 120 N 1.00 4.33 -0.08 6.68 1.01 0.56 -0.49 121.20 134.22 2x3y s ILE 120 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2x3y s ILE 120 Cb -0.15 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 2x3y s ILE 120 CO 0.00 0.19 -0.20 -0.83 0.00 0.00 0.00 174.94 174.11 2x3y s GLY 121 N 1.59 1.41 -0.13 6.18 0.00 0.07 -1.16 107.32 115.28 2x3y s GLY 121 Ca 0.05 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 2x3y s GLY 121 CO 0.04 -0.53 -0.01 -0.19 0.00 0.00 0.00 173.10 172.41 2x3y s TYR 122 N -0.12 3.10 -0.24 1.90 2.02 0.09 -1.33 117.35 122.77 2x3y s TYR 122 Ca -0.04 -0.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.54 2x3y s TYR 122 Cb -0.14 -1.91 0.11 0.00 -0.40 0.00 0.00 41.96 39.63 2x3y s TYR 122 CO 0.04 0.18 0.48 0.45 -1.57 0.00 0.00 175.55 175.13 2x3y s SER 123 N -0.11 -0.48 0.30 2.29 0.15 -0.79 -4.42 113.70 110.63 2x3y s SER 123 Ca 0.04 1.00 0.14 0.00 0.70 0.00 0.00 55.95 57.83 2x3y s SER 123 Cb -0.13 1.60 0.38 0.00 -1.71 0.00 0.00 66.02 66.16 2x3y s SER 123 CO 0.02 -0.24 1.60 0.71 1.20 0.00 0.00 173.24 176.53 2x3y h THR 124 N 6.12 1.16 0.00 6.45 1.35 -1.93 -3.18 112.91 122.88 2x3y h THR 124 Ca -0.17 -2.06 -0.15 0.00 -0.55 0.00 0.00 66.41 63.48 2x3y h THR 124 Cb 1.12 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 69.70 2x3y h THR 124 CO 0.15 0.54 -0.95 0.77 -0.25 0.00 0.00 175.52 175.78 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 -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2x3y h SER 125 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2x3y h SER 125 CO 0.07 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2x3y n GLY 126 N 1.32 1.25 0.00 -0.77 0.00 -1.20 -4.86 105.19 100.93 2x3y n GLY 126 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 5.54 -1.35 1.61 5.02 -1.26 -4.39 118.16 121.33 2x3y n LYS 127 Ca 0.00 -0.00 -0.54 0.00 -2.02 0.00 0.00 58.31 55.75 2x3y n LYS 127 Cb 0.00 -0.70 -0.11 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.11 1.08 -0.19 4.39 7.64 -1.26 -4.83 113.62 119.35 2x3y n SER 128 Ca 0.01 0.50 -0.05 0.00 1.01 0.00 0.00 58.87 60.34 2x3y n SER 128 Cb 0.07 -1.02 0.05 0.00 -1.01 0.00 0.00 64.21 62.30 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 10.66 0.61 0.00 1.43 0.11 -1.97 -1.41 132.00 141.43 2x3y h PRO 129 Ca -0.14 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 2x3y h PRO 129 Cb 1.37 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2x3y h PRO 129 CO 1.12 0.40 -0.14 -2.95 -0.21 0.00 0.00 178.00 176.22 2x3y h ASN 130 N 0.63 0.00 -0.02 -2.05 7.08 -1.88 -0.06 115.58 119.27 2x3y h ASN 130 Ca 0.23 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 53.35 2x3y h ASN 130 Cb 0.07 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.32 2x3y h ASN 130 CO -0.12 0.14 -0.38 0.40 -2.08 0.00 0.00 177.43 175.39 2x3y h ILE 131 N 0.00 1.47 -0.63 6.14 1.08 -1.67 -2.52 117.51 121.39 2x3y h ILE 131 Ca -0.00 -1.93 -0.01 0.00 -0.39 0.00 0.00 64.86 62.53 2x3y h ILE 131 Cb 0.45 2.59 -0.03 0.00 -3.07 0.00 0.00 36.82 36.76 2x3y h ILE 131 CO 0.02 0.55 0.36 -0.07 -0.69 0.00 0.00 178.15 178.31 2x3y h LEU 132 N -0.28 0.78 -1.18 1.44 3.38 -0.89 -0.92 115.31 117.64 2x3y h LEU 132 Ca -0.04 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2x3y h LEU 132 Cb 1.10 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2x3y h LEU 132 CO 0.08 0.64 0.56 0.00 0.09 0.00 0.00 178.44 179.81 2x3y h ALA 133 N 1.17 1.48 -0.50 1.53 0.00 -1.10 -1.88 119.26 119.97 2x3y h ALA 133 Ca 0.22 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2x3y h ALA 133 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2x3y h ALA 133 CO -0.04 0.44 0.30 0.00 0.00 0.00 0.00 179.25 179.95 2x3y h ALA 134 N 1.50 0.64 -0.97 0.00 0.00 -0.74 -2.11 119.26 117.58 2x3y h ALA 134 Ca 0.34 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2x3y h ALA 134 Cb 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2x3y h ALA 134 CO -0.10 0.00 0.64 0.74 0.00 0.00 0.00 179.25 180.53 2x3y h PHE 135 N 0.60 1.19 -0.67 0.00 0.04 -0.55 -0.35 116.94 117.19 2x3y h PHE 135 Ca 0.20 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.93 2x3y h PHE 135 Cb 0.01 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 37.74 2x3y h PHE 135 CO -0.06 0.69 0.17 0.00 -0.60 0.00 0.00 178.31 178.51 2x3y h ARG 136 N 1.24 1.08 -0.07 1.51 3.08 -0.90 -0.41 114.38 119.89 2x3y h ARG 136 Ca 0.38 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2x3y h ARG 136 Cb -0.01 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 2x3y h ARG 136 CO -0.12 0.96 -0.01 1.49 -1.07 0.00 0.00 179.97 181.22 2x3y h GLU 137 N 1.00 0.14 -0.20 0.04 4.57 -1.17 -2.85 114.58 116.12 2x3y h GLU 137 Ca 0.21 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.39 2x3y h GLU 137 Cb 0.36 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 2x3y h GLU 137 CO 0.00 0.46 -0.10 0.00 -1.18 0.00 0.00 179.01 178.18 2x3y h ALA 138 N 0.68 0.06 -0.72 2.92 0.00 -0.80 -1.49 119.26 119.90 2x3y h ALA 138 Ca 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2x3y h ALA 138 Cb 0.40 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2x3y h ALA 138 CO 0.01 -0.53 0.31 -0.22 0.00 0.00 0.00 179.25 178.82 2x3y h LYS 139 N -0.09 1.05 0.00 0.00 3.64 -1.15 -1.51 116.57 118.52 2x3y h LYS 139 Ca 0.11 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2x3y h LYS 139 Cb 0.25 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2x3y h LYS 139 CO -0.25 0.84 -0.12 0.00 -2.27 0.00 0.00 179.45 177.64 2x3y h ALA 140 N 1.30 1.12 -0.07 5.00 0.00 -1.10 -1.65 119.26 123.86 2x3y h ALA 140 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2x3y h ALA 140 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2x3y h ALA 140 CO -0.03 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.01 2x3y n LYS 141 N -3.41 1.65 -1.59 0.00 5.02 -0.64 -4.93 118.16 114.27 2x3y n LYS 141 Ca -0.01 -0.96 -0.01 0.00 -2.02 0.00 0.00 58.31 55.31 2x3y n LYS 141 Cb 0.30 -1.44 -0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 1.14 0.39 3.90 0.72 0.00 -0.62 -3.48 105.19 107.24 2x3y n GLY 142 Ca 0.18 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.20 3.63 0.22 1.61 -1.94 -0.65 -1.98 119.30 116.99 2x3y s MET 143 Ca 0.00 -0.07 -0.30 0.00 -1.71 0.00 0.00 55.69 53.61 2x3y s MET 143 Cb 0.00 -2.78 -0.09 0.00 2.01 0.00 0.00 34.83 33.98 2x3y s MET 143 CO 0.00 0.38 0.99 0.99 -0.01 0.00 0.00 175.02 177.38 2x3y s THR 144 N -1.80 3.98 -0.26 2.05 2.01 -0.57 -4.20 115.64 116.86 2x3y s THR 144 Ca 0.42 1.91 -0.06 0.00 0.31 0.00 0.00 61.69 64.27 2x3y s THR 144 Cb -0.11 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 2x3y s THR 144 CO 0.26 0.42 0.04 0.00 -0.69 0.00 0.00 174.62 174.65 2x3y s VAL 146 N 1.54 2.35 0.01 0.00 1.01 0.36 -0.96 120.40 124.71 2x3y s VAL 146 Ca 0.05 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.19 2x3y s VAL 146 Cb -0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2x3y s VAL 146 CO 0.01 0.54 -0.13 -0.83 0.00 0.00 0.00 175.10 174.69 2x3y s GLY 147 N 0.62 1.64 -0.20 4.51 0.00 -0.03 -0.76 107.32 113.10 2x3y s GLY 147 Ca -0.10 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.54 2x3y s GLY 147 CO 0.03 -0.96 -0.14 -1.36 0.00 0.00 0.00 173.10 170.67 2x3y s PHE 148 N -0.92 2.66 0.00 1.90 2.99 -0.44 -1.02 117.98 123.15 2x3y s PHE 148 Ca 0.15 -1.71 0.00 0.00 0.00 0.00 0.00 56.93 55.37 2x3y s PHE 148 Cb -0.11 -1.77 0.00 0.00 0.00 0.00 0.00 43.02 41.14 2x3y s PHE 148 CO 0.05 -0.78 0.00 -2.37 -0.00 0.00 0.00 175.22 172.12 2x3y n THR 149 N 4.63 0.00 -0.91 0.64 5.66 0.21 -1.89 114.28 122.61 2x3y n THR 149 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2x3y n THR 149 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 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 0.00 1.64 0.88 1.09 0.00 -1.25 -1.08 105.19 106.48 2x3y n GLY 150 Ca 0.00 -1.83 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 2.71 0.00 1.61 0.23 -0.10 -3.88 115.26 115.83 2x3y n ASN 151 Ca 0.00 -1.88 0.11 0.00 -0.53 0.00 0.00 54.58 52.28 2x3y n ASN 151 Cb 0.00 -0.06 0.64 0.00 -2.08 0.00 0.00 39.78 38.28 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 1.08 0.98 0.00 -3.83 1.74 -1.26 -5.01 116.66 110.36 2x3y n ARG 152 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2x3y n ARG 152 Cb 0.53 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.81 -0.12 0.00 -0.13 0.00 -1.26 -5.06 105.19 99.42 2x3y n GLY 153 Ca 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.57 0.22 -0.02 0.00 -1.26 -4.72 105.19 99.96 2x3y n GLY 154 Ca 0.00 -2.17 0.15 0.00 0.00 0.00 0.00 46.02 43.99 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 4.70 0.00 -0.02 1.61 4.81 -1.98 -3.30 114.58 120.40 2x3y h GLU 155 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2x3y h GLU 155 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2x3y h GLU 155 CO 0.00 0.00 0.26 0.52 -0.73 0.00 0.00 179.01 179.06 2x3y h MET 156 N 0.00 0.00 -0.07 1.92 2.86 -1.87 -1.33 114.93 116.45 2x3y h MET 156 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 2x3y h MET 156 Cb 0.61 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.28 2x3y h MET 156 CO 0.00 0.00 -0.61 0.00 1.06 0.00 0.00 176.91 177.36 2x3y h ARG 157 N 0.00 0.54 0.00 1.72 3.08 -1.89 -1.72 114.38 116.10 2x3y h ARG 157 Ca 0.01 -0.48 -0.17 0.00 0.07 0.00 0.00 59.98 59.40 2x3y h ARG 157 Cb 0.54 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 2x3y h ARG 157 CO -0.00 1.11 -0.82 1.05 -1.07 0.00 0.00 179.97 180.24 2x3y h GLU 158 N 0.13 0.00 0.12 0.04 4.11 -1.54 -3.34 114.58 114.10 2x3y h GLU 158 Ca -0.06 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.09 2x3y h GLU 158 Cb 1.27 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.54 2x3y h GLU 158 CO 0.12 0.82 -1.21 -0.07 0.07 0.00 0.00 179.01 178.74 2x3y h LEU 159 N 0.00 0.64 -9.77 3.06 3.38 -1.43 -3.46 115.31 107.74 2x3y h LEU 159 Ca -0.01 -0.62 -0.57 0.00 0.09 0.00 0.00 57.88 56.78 2x3y h LEU 159 Cb 1.55 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2x3y h LEU 159 CO 0.11 1.45 -0.06 0.00 0.09 0.00 0.00 178.44 180.03 2x3y h ASP 161 N 4.05 0.00 -3.46 0.00 3.32 -1.36 -3.45 116.42 115.52 2x3y h ASP 161 Ca -0.49 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.33 2x3y h ASP 161 Cb 1.20 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 2x3y h ASP 161 CO 0.64 0.60 -0.56 -0.76 -1.72 0.00 0.00 179.24 177.44 2x3y s LEU 162 N -6.96 0.73 -0.05 1.55 1.43 -0.95 -5.03 118.68 109.40 2x3y s LEU 162 Ca 0.01 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 2x3y s LEU 162 Cb 0.10 0.47 0.02 0.00 0.03 0.00 0.00 46.19 46.82 2x3y s LEU 162 CO 0.75 -0.14 -0.02 -0.22 0.23 0.00 0.00 176.35 176.94 2x3y s LEU 163 N 1.06 1.04 -0.24 1.79 2.96 -1.26 -0.85 118.68 123.18 2x3y s LEU 163 Ca -0.08 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2x3y s LEU 163 Cb -0.10 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 2x3y s LEU 163 CO -0.06 -0.11 0.03 -0.76 -1.32 0.00 0.00 176.35 174.13 2x3y s LEU 164 N 1.32 3.27 -0.35 -0.68 1.43 -0.19 -4.97 118.68 118.50 2x3y s LEU 164 Ca -0.05 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2x3y s LEU 164 Cb -0.13 -1.86 0.08 0.00 0.03 0.00 0.00 46.19 44.30 2x3y s LEU 164 CO -0.02 -0.02 0.10 -1.61 0.23 0.00 0.00 176.35 175.03 2x3y s GLU 165 N 1.51 2.25 0.11 1.70 2.02 -1.26 -0.62 118.70 124.40 2x3y s GLU 165 Ca 0.06 -1.51 -0.31 0.00 0.02 0.00 0.00 54.97 53.23 2x3y s GLU 165 Cb -0.15 -3.39 -0.08 0.00 0.10 0.00 0.00 34.13 30.61 2x3y s GLU 165 CO 0.01 -0.83 1.42 0.08 0.02 0.00 0.00 175.26 175.97 2x3y s VAL 166 N 1.21 3.26 -0.97 2.63 1.01 -0.24 -4.85 120.40 122.46 2x3y s VAL 166 Ca 0.01 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 2x3y s VAL 166 Cb -0.21 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2x3y s VAL 166 CO -0.02 0.06 2.14 -0.81 0.00 0.00 0.00 175.10 176.47 2x3y n PRO 167 N 4.17 2.12 -3.63 2.72 -0.04 -1.26 -2.43 135.00 136.64 2x3y n PRO 167 Ca 0.12 -1.71 -0.10 0.00 -0.04 0.00 0.00 63.50 61.77 2x3y n PRO 167 Cb 0.42 -2.67 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 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 3.73 -0.31 0.00 3.54 0.15 -1.26 -4.89 113.70 114.66 2x3y s SER 168 Ca 0.48 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.85 2x3y s SER 168 Cb 0.12 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 2x3y s SER 168 CO 0.00 -0.95 0.31 0.00 1.20 0.00 0.00 173.24 173.80 2x3y n ALA 169 N -0.30 2.53 -2.60 5.45 0.00 -1.26 -0.92 120.51 123.41 2x3y n ALA 169 Ca -0.14 -0.24 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 2x3y n ALA 169 Cb 0.63 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.11 6.38 0.19 0.00 2.15 -1.26 -4.99 116.67 118.03 2x3y s ASP 170 Ca 0.03 0.33 -0.16 0.00 0.43 0.00 0.00 52.55 53.18 2x3y s ASP 170 Cb 0.03 -2.27 0.18 0.00 -0.30 0.00 0.00 42.92 40.56 2x3y s ASP 170 CO 0.14 -0.34 1.63 0.71 -0.17 0.00 0.00 175.17 177.14 2x3y h THR 171 N 5.47 0.39 -0.52 1.71 1.35 -1.94 0.16 112.91 119.53 2x3y h THR 171 Ca -0.29 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.68 2x3y h THR 171 Cb 1.14 0.39 -0.09 0.00 -1.73 0.00 0.00 68.15 67.85 2x3y h THR 171 CO 0.73 0.00 -0.03 -0.65 -0.25 0.00 0.00 175.52 175.32 2x3y h PRO 172 N -0.04 0.08 -0.45 4.72 0.11 -2.00 0.39 132.00 134.82 2x3y h PRO 172 Ca 0.26 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 2x3y h PRO 172 Cb 0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2x3y h PRO 172 CO -0.59 0.06 -0.16 0.87 -0.21 0.00 0.00 178.00 177.96 2x3y h LYS 173 N 0.09 0.86 -0.68 1.05 1.79 -1.46 -1.44 116.57 116.77 2x3y h LYS 173 Ca 0.26 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 2x3y h LYS 173 Cb 0.41 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 2x3y h LYS 173 CO -0.46 0.96 0.35 0.82 -1.08 0.00 0.00 179.45 180.04 2x3y h ILE 174 N 0.76 1.22 -0.38 1.86 2.04 -0.53 -2.08 117.51 120.40 2x3y h ILE 174 Ca 0.11 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 2x3y h ILE 174 Cb 0.69 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2x3y h ILE 174 CO 0.05 0.25 0.13 1.56 0.00 0.00 0.00 178.15 180.14 2x3y h GLN 175 N 0.94 0.59 -0.97 2.37 4.20 -0.51 -1.41 115.11 120.32 2x3y h GLN 175 Ca 0.24 -0.12 0.14 0.00 0.06 0.00 0.00 58.65 58.96 2x3y h GLN 175 Cb 0.08 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.68 2x3y h GLN 175 CO -0.03 0.58 0.61 0.93 -0.67 0.00 0.00 178.83 180.25 2x3y h GLU 176 N 0.47 0.85 -0.63 1.46 5.08 -1.15 -0.96 114.58 119.71 2x3y h GLU 176 Ca 0.13 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2x3y h GLU 176 Cb 0.23 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2x3y h GLU 176 CO -0.01 0.56 0.04 0.78 -1.00 0.00 0.00 179.01 179.38 2x3y h GLY 177 N 0.88 1.16 1.01 -3.84 0.00 -0.71 -2.73 103.07 98.84 2x3y h GLY 177 Ca 0.49 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2x3y h GLY 177 CO -0.26 0.76 0.25 0.45 0.00 0.00 0.00 176.54 177.74 2x3y h HIS 178 N 0.99 1.02 -0.35 5.60 3.86 -0.16 -1.09 115.15 125.02 2x3y h HIS 178 Ca 0.18 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2x3y h HIS 178 Cb 0.52 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 2x3y h HIS 178 CO 0.04 0.80 0.20 1.25 0.86 0.00 0.00 177.93 181.07 2x3y h LEU 179 N 0.94 0.44 -0.67 2.43 5.85 -1.22 0.18 115.31 123.26 2x3y h LEU 179 Ca 0.22 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2x3y h LEU 179 Cb 0.22 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2x3y h LEU 179 CO -0.02 0.40 0.44 0.58 -0.34 0.00 0.00 178.44 179.50 2x3y h VAL 180 N 0.45 1.15 0.00 1.05 2.07 -1.16 -1.00 116.25 118.81 2x3y h VAL 180 Ca 0.12 -0.30 -0.17 0.00 0.82 0.00 0.00 66.70 67.17 2x3y h VAL 180 Cb 0.05 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2x3y h VAL 180 CO -0.02 0.16 -0.80 -0.07 0.02 0.00 0.00 177.57 176.86 2x3y h LEU 181 N 0.89 0.00 0.00 2.57 3.38 -1.03 -2.97 115.31 118.15 2x3y h LEU 181 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2x3y h LEU 181 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2x3y h LEU 181 CO -0.06 0.80 -0.00 1.23 0.09 0.00 0.00 178.44 180.50 2x3y h GLY 182 N 2.68 -0.00 -0.30 0.83 0.00 -0.22 -1.34 103.07 104.71 2x3y h GLY 182 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2x3y h GLY 182 CO 0.10 -0.00 -0.33 0.45 0.00 0.00 0.00 176.54 176.77 2x3y h HIS 183 N -0.24 -0.91 -0.52 5.60 3.86 -1.22 -0.19 115.15 121.53 2x3y h HIS 183 Ca -0.00 0.07 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 2x3y h HIS 183 Cb 0.24 0.47 -0.05 0.00 1.06 0.00 0.00 27.41 29.13 2x3y h HIS 183 CO 0.01 -0.38 0.23 0.82 0.86 0.00 0.00 177.93 179.46 2x3y h ILE 184 N -0.20 0.89 -0.76 2.45 2.04 -1.35 -0.07 117.51 120.51 2x3y h ILE 184 Ca 0.20 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2x3y h ILE 184 Cb 0.54 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2x3y h ILE 184 CO -0.61 0.08 0.47 0.58 0.00 0.00 0.00 178.15 178.66 2x3y h VAL 185 N 0.44 1.05 0.04 1.67 2.07 -0.44 -1.60 116.25 119.48 2x3y h VAL 185 Ca 0.24 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2x3y h VAL 185 Cb 0.21 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2x3y h VAL 185 CO -0.21 0.16 -0.02 0.00 0.02 0.00 0.00 177.57 177.52 2x3y h GLY 187 N -0.31 0.58 0.64 0.00 0.00 -0.99 0.24 103.07 103.22 2x3y h GLY 187 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.34 2x3y h GLY 187 CO 0.01 -0.04 0.26 1.41 0.00 0.00 0.00 176.54 178.17 2x3y h LEU 188 N 0.25 0.35 -0.02 3.11 3.38 -1.23 0.42 115.31 121.56 2x3y h LEU 188 Ca 0.23 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2x3y h LEU 188 Cb 0.29 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2x3y h LEU 188 CO -0.29 0.23 -0.01 0.58 0.09 0.00 0.00 178.44 179.05 2x3y h VAL 189 N 0.49 1.30 -0.54 1.22 2.07 -0.89 -0.61 116.25 119.30 2x3y h VAL 189 Ca 0.25 -0.90 0.11 0.00 0.82 0.00 0.00 66.70 66.98 2x3y h VAL 189 Cb 0.20 1.87 -0.10 0.00 -1.52 0.00 0.00 31.29 31.74 2x3y h VAL 189 CO -0.20 0.24 -0.14 -0.08 0.02 0.00 0.00 177.57 177.41 2x3y h GLU 190 N -0.33 -0.00 -0.29 1.57 4.81 -0.84 -2.14 114.58 117.36 2x3y h GLU 190 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2x3y h GLU 190 Cb 0.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2x3y h GLU 190 CO 0.00 -0.00 -0.26 1.25 -0.73 0.00 0.00 179.01 179.27 2x3y h HIS 191 N -0.00 0.82 -0.94 0.92 2.76 -0.81 -1.42 115.15 116.47 2x3y h HIS 191 Ca 0.26 -0.24 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 2x3y h HIS 191 Cb 0.40 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.13 2x3y h HIS 191 CO -0.45 0.97 0.62 1.03 -1.30 0.00 0.00 177.93 178.79 2x3y h SER 192 N 0.43 1.04 0.26 3.26 0.87 -0.91 0.14 113.55 118.64 2x3y h SER 192 Ca 0.05 -0.01 -0.34 0.00 -1.23 0.00 0.00 61.79 60.26 2x3y h SER 192 Cb 0.82 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2x3y h SER 192 CO 0.07 0.72 -1.73 0.40 -0.53 0.00 0.00 176.83 175.76 2x3y h ILE 193 N 1.21 0.95 -0.01 2.23 2.04 -1.37 -3.40 117.51 119.17 2x3y h ILE 193 Ca 0.37 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.66 2x3y h ILE 193 Cb -0.04 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2x3y h ILE 193 CO -0.11 0.84 0.00 0.49 0.00 0.00 0.00 178.15 179.37 2x3y n PHE 194 N -3.53 0.01 0.92 1.37 0.99 -0.54 -5.11 117.46 111.57 2x3y n PHE 194 Ca -0.23 -0.28 0.07 0.00 -0.00 0.00 0.00 57.45 57.01 2x3y n PHE 194 Cb 1.06 -0.03 0.44 0.00 -1.00 0.00 0.00 39.48 39.95 2x3y n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17