#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 0.00 -0.31 -3.83 2.43 -2.06 -2.52 114.38 108.09 2x3y h ARG 4 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2x3y h ARG 4 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2x3y h ARG 4 CO 0.00 0.10 -0.06 0.93 -1.51 0.00 0.00 179.97 179.43 2x3y h GLU 5 N 0.00 0.59 -0.86 0.20 5.08 -2.05 -1.52 114.58 116.01 2x3y h GLU 5 Ca -0.00 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2x3y h GLU 5 Cb 0.19 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2x3y h GLU 5 CO 0.01 0.76 0.47 1.25 -1.00 0.00 0.00 179.01 180.50 2x3y h LEU 6 N 0.36 1.09 -0.35 1.33 5.85 -1.92 -1.51 115.31 120.16 2x3y h LEU 6 Ca 0.08 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2x3y h LEU 6 Cb 0.53 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2x3y h LEU 6 CO 0.03 0.88 0.22 0.74 -0.34 0.00 0.00 178.44 179.96 2x3y h THR 7 N 1.21 1.06 -0.67 1.05 2.02 -1.24 0.36 112.91 116.70 2x3y h THR 7 Ca 0.30 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.34 2x3y h THR 7 Cb 0.04 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 2x3y h THR 7 CO -0.05 0.08 0.44 0.22 0.37 0.00 0.00 175.52 176.58 2x3y h TYR 8 N 0.45 0.82 0.46 3.16 3.20 -0.98 -0.07 116.97 124.01 2x3y h TYR 8 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2x3y h TYR 8 Cb -0.02 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2x3y h TYR 8 CO -0.06 0.50 -0.22 0.82 -1.64 0.00 0.00 178.16 177.56 2x3y h ILE 9 N 0.88 0.54 -0.42 1.81 2.04 -0.92 -2.08 117.51 119.36 2x3y h ILE 9 Ca 0.25 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2x3y h ILE 9 Cb -0.07 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2x3y h ILE 9 CO -0.07 0.03 0.22 0.71 0.00 0.00 0.00 178.15 179.04 2x3y h THR 10 N -0.71 1.17 -0.95 -0.27 1.35 -0.81 -2.58 112.91 110.10 2x3y h THR 10 Ca -0.06 -0.46 0.12 0.00 -0.55 0.00 0.00 66.41 65.46 2x3y h THR 10 Cb 0.52 0.70 -0.08 0.00 -1.73 0.00 0.00 68.15 67.55 2x3y h THR 10 CO 0.10 0.18 0.58 0.78 -0.25 0.00 0.00 175.52 176.91 2x3y h ASN 11 N 0.54 0.84 -0.56 5.36 2.35 -1.02 0.69 115.58 123.79 2x3y h ASN 11 Ca 0.15 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 2x3y h ASN 11 Cb 0.09 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2x3y h ASN 11 CO -0.02 0.45 0.03 0.28 -1.65 0.00 0.00 177.43 176.52 2x3y h SER 12 N 0.92 0.94 -0.29 5.81 0.02 -1.03 -0.13 113.55 119.79 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 0.48 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2x3y h SER 12 CO -0.27 1.00 -0.31 0.40 -1.14 0.00 0.00 176.83 176.51 2x3y h ILE 13 N 0.86 1.30 -0.50 3.27 2.04 -1.09 -2.59 117.51 120.80 2x3y h ILE 13 Ca 0.16 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.57 2x3y h ILE 13 Cb 0.50 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2x3y h ILE 13 CO 0.02 0.48 0.28 0.00 0.00 0.00 0.00 178.15 178.93 2x3y h ALA 14 N 0.71 0.64 -0.81 1.87 0.00 -0.72 -1.19 119.26 119.76 2x3y h ALA 14 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x3y h ALA 14 Cb 0.89 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2x3y h ALA 14 CO 0.08 -0.04 0.50 1.49 0.00 0.00 0.00 179.25 181.28 2x3y h GLU 15 N 0.55 1.09 -0.36 0.00 4.57 -1.00 -0.86 114.58 118.57 2x3y h GLU 15 Ca 0.21 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 2x3y h GLU 15 Cb 0.07 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 2x3y h GLU 15 CO -0.12 0.75 -0.15 0.00 -1.18 0.00 0.00 179.01 178.31 2x3y h ALA 16 N 1.44 1.07 -0.66 2.92 0.00 -0.98 -1.07 119.26 121.98 2x3y h ALA 16 Ca 0.29 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2x3y h ALA 16 Cb -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2x3y h ALA 16 CO -0.06 0.57 0.26 0.37 0.00 0.00 0.00 179.25 180.39 2x3y h GLN 17 N 0.59 0.98 -0.10 0.00 4.15 -0.31 -1.96 115.11 118.46 2x3y h GLN 17 Ca 0.10 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 2x3y h GLN 17 Cb 0.59 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 2x3y h GLN 17 CO 0.04 0.80 0.03 0.00 -1.93 0.00 0.00 178.83 177.77 2x3y h ARG 18 N 0.96 0.16 -0.31 1.69 3.08 -0.45 -2.10 114.38 117.40 2x3y h ARG 18 Ca 0.22 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.30 2x3y h ARG 18 Cb 0.20 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 2x3y h ARG 18 CO -0.02 0.30 -0.02 0.28 -1.07 0.00 0.00 179.97 179.44 2x3y h VAL 19 N -0.02 0.75 -0.65 2.04 2.07 -0.77 0.30 116.25 119.96 2x3y h VAL 19 Ca 0.03 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2x3y h VAL 19 Cb 0.21 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2x3y h VAL 19 CO -0.00 0.01 0.41 0.24 0.02 0.00 0.00 177.57 178.25 2x3y h MET 20 N 0.06 0.79 0.05 1.57 2.86 -1.28 -0.00 114.93 118.98 2x3y h MET 20 Ca 0.15 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2x3y h MET 20 Cb 0.21 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2x3y h MET 20 CO -0.27 0.52 -0.05 0.00 1.06 0.00 0.00 176.91 178.17 2x3y h ALA 21 N 1.27 -0.10 -0.88 6.32 0.00 -0.57 -0.34 119.26 124.97 2x3y h ALA 21 Ca 0.26 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2x3y h ALA 21 Cb -0.01 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2x3y h ALA 21 CO -0.09 -0.56 0.57 0.00 0.00 0.00 0.00 179.25 179.17 2x3y h ALA 22 N 0.83 1.47 -0.41 0.00 0.00 0.10 -1.93 119.26 119.33 2x3y h ALA 22 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2x3y h ALA 22 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2x3y h ALA 22 CO -0.01 0.43 -0.15 0.52 0.00 0.00 0.00 179.25 180.04 2x3y h MET 23 N 1.07 0.82 0.00 0.00 2.86 -0.71 -2.75 114.93 116.21 2x3y h MET 23 Ca 0.36 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2x3y h MET 23 Cb 0.07 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2x3y h MET 23 CO -0.11 0.96 -0.02 1.25 1.06 0.00 0.00 176.91 180.05 2x3y h LEU 24 N 0.63 0.00 -2.04 1.22 5.85 -0.32 -2.14 115.31 118.51 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 0.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2x3y h LEU 24 CO 0.05 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.17 2x3y n ALA 25 N -2.37 2.45 -3.30 1.25 0.00 -0.86 -4.80 120.51 112.89 2x3y n ALA 25 Ca -0.03 -0.81 -0.46 0.00 0.00 0.00 0.00 53.44 52.14 2x3y n ALA 25 Cb 0.10 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.78 6.42 0.55 0.00 -1.08 -0.80 -4.92 116.67 115.05 2x3y s ASP 26 Ca 0.33 -2.12 0.28 0.00 -0.52 0.00 0.00 52.55 50.52 2x3y s ASP 26 Cb 0.21 -2.22 1.58 0.00 -1.46 0.00 0.00 42.92 41.03 2x3y s ASP 26 CO 0.31 -0.77 2.13 -0.33 0.52 0.00 0.00 175.17 177.04 2x3y h GLU 27 N 8.48 0.00 0.23 4.34 5.08 -1.87 -2.18 114.58 128.66 2x3y h GLU 27 Ca -0.13 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.91 2x3y h GLU 27 Cb 1.07 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.36 2x3y h GLU 27 CO 0.93 0.08 -1.40 -0.09 -1.00 0.00 0.00 179.01 177.53 2x3y h ARG 28 N 0.00 0.54 0.10 2.33 2.43 -1.95 -2.16 114.38 115.66 2x3y h ARG 28 Ca -0.00 -0.89 0.00 0.00 -0.81 0.00 0.00 59.98 58.28 2x3y h ARG 28 Cb 0.22 0.33 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2x3y h ARG 28 CO 0.01 1.42 -0.09 1.25 -1.51 0.00 0.00 179.97 181.06 2x3y h LEU 29 N 0.12 -0.23 -0.58 3.80 6.46 -1.85 -1.66 115.31 121.36 2x3y h LEU 29 Ca -0.24 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.61 2x3y h LEU 29 Cb 2.10 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 42.05 2x3y h LEU 29 CO 0.26 -0.14 0.26 -0.07 -0.62 0.00 0.00 178.44 178.14 2x3y h LEU 30 N -0.20 0.33 -1.55 2.25 3.38 -1.43 -0.00 115.31 118.08 2x3y h LEU 30 Ca 0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2x3y h LEU 30 Cb 0.19 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2x3y h LEU 30 CO -0.02 0.21 0.17 0.00 0.09 0.00 0.00 178.44 178.90 2x3y h ALA 31 N 1.35 1.66 -0.20 1.53 0.00 -1.26 -2.57 119.26 119.77 2x3y h ALA 31 Ca 0.28 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 2x3y h ALA 31 Cb 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2x3y h ALA 31 CO -0.23 0.28 -0.67 1.15 0.00 0.00 0.00 179.25 179.79 2x3y h THR 32 N 0.48 1.28 -0.60 0.00 2.02 -0.11 -2.29 112.91 113.69 2x3y h THR 32 Ca 0.12 -1.86 0.11 0.00 0.77 0.00 0.00 66.41 65.56 2x3y h THR 32 Cb 0.04 1.86 -0.09 0.00 -1.74 0.00 0.00 68.15 68.22 2x3y h THR 32 CO -0.02 0.59 0.10 0.58 0.37 0.00 0.00 175.52 177.15 2x3y h VAL 33 N 0.56 0.61 -0.46 3.16 2.07 -0.73 0.13 116.25 121.60 2x3y h VAL 33 Ca -0.03 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2x3y h VAL 33 Cb 1.29 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2x3y h VAL 33 CO 0.14 0.04 0.24 -0.09 0.02 0.00 0.00 177.57 177.92 2x3y h ARG 34 N 0.23 0.46 -0.22 1.57 1.12 -1.32 -2.57 114.38 113.65 2x3y h ARG 34 Ca 0.31 -0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 59.05 2x3y h ARG 34 Cb 0.48 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 2x3y h ARG 34 CO -0.42 0.31 -0.33 0.87 -3.11 0.00 0.00 179.97 177.28 2x3y h LYS 35 N 0.48 0.46 0.14 0.20 1.57 -0.60 -1.63 116.57 117.18 2x3y h LYS 35 Ca 0.20 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2x3y h LYS 35 Cb 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2x3y h LYS 35 CO -0.13 0.74 -0.07 0.28 -0.57 0.00 0.00 179.45 179.70 2x3y h VAL 36 N 0.39 0.95 -0.58 0.50 2.07 -0.66 0.25 116.25 119.17 2x3y h VAL 36 Ca 0.05 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.35 2x3y h VAL 36 Cb 0.77 1.15 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 2x3y h VAL 36 CO 0.06 0.08 0.07 0.00 0.02 0.00 0.00 177.57 177.80 2x3y h ALA 37 N 0.51 0.64 -0.57 1.67 0.00 -1.37 -0.96 119.26 119.18 2x3y h ALA 37 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2x3y h ALA 37 Cb 0.27 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2x3y h ALA 37 CO 0.03 -0.35 0.30 -0.44 0.00 0.00 0.00 179.25 178.80 2x3y h ASP 38 N 0.20 0.70 -0.14 0.00 3.32 -0.94 -1.02 116.42 118.53 2x3y h ASP 38 Ca 0.30 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2x3y h ASP 38 Cb 0.47 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2x3y h ASP 38 CO -0.43 0.57 0.06 0.00 -1.72 0.00 0.00 179.24 177.71 2x3y h ALA 39 N 1.54 0.19 -0.61 3.45 0.00 0.35 -1.44 119.26 122.75 2x3y h ALA 39 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2x3y h ALA 39 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2x3y h ALA 39 CO -0.03 -0.22 0.35 0.00 0.00 0.00 0.00 179.25 179.35 2x3y h ILE 41 N 0.82 1.06 -0.58 0.00 2.04 -1.07 -1.07 117.51 118.71 2x3y h ILE 41 Ca 0.22 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 2x3y h ILE 41 Cb 0.01 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2x3y h ILE 41 CO -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 178.15 178.17 2x3y h ALA 42 N 1.08 0.89 0.16 1.87 0.00 -1.16 -0.27 119.26 121.84 2x3y h ALA 42 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2x3y h ALA 42 Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2x3y h ALA 42 CO -0.02 0.65 -0.08 1.03 0.00 0.00 0.00 179.25 180.84 2x3y h SER 43 N 0.93 -0.19 -0.95 0.00 0.87 -1.06 -2.41 113.55 110.75 2x3y h SER 43 Ca 0.17 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2x3y h SER 43 Cb 0.54 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.50 2x3y h SER 43 CO 0.03 -0.05 0.59 0.40 -0.53 0.00 0.00 176.83 177.27 2x3y h ILE 44 N -0.32 1.25 0.00 2.23 2.04 -1.13 0.29 117.51 121.89 2x3y h ILE 44 Ca -0.02 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2x3y h ILE 44 Cb 0.25 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 2x3y h ILE 44 CO 0.04 0.26 -0.04 0.00 0.00 0.00 0.00 178.15 178.40 2x3y h ALA 45 N 1.35 1.14 -0.50 1.87 0.00 -0.83 -1.80 119.26 120.49 2x3y h ALA 45 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2x3y h ALA 45 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2x3y h ALA 45 CO -0.07 0.06 0.00 0.94 0.00 0.00 0.00 179.25 180.18 2x3y n GLN 46 N -3.35 2.58 0.00 0.00 0.00 -0.82 -4.92 117.38 110.87 2x3y n GLN 46 Ca -0.02 -2.32 0.00 0.00 -0.00 0.00 0.00 57.00 54.66 2x3y n GLN 46 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 28.97 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 1.27 1.01 2.12 1.69 0.00 -0.68 -5.08 105.19 105.52 2x3y n GLY 47 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.97 0.30 3.23 -0.02 0.00 0.97 -4.95 105.19 102.75 2x3y n GLY 48 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 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 -4.01 1.25 -0.16 1.61 -2.85 -1.26 -4.26 119.74 110.06 2x3y s LYS 49 Ca 0.37 -1.66 -0.01 0.00 -1.00 0.00 0.00 55.97 53.66 2x3y s LYS 49 Cb -0.02 0.14 -0.01 0.00 -2.06 0.00 0.00 37.83 35.88 2x3y s LYS 49 CO 0.25 -0.37 -0.10 0.08 0.10 0.00 0.00 175.35 175.31 2x3y s VAL 50 N -4.06 3.20 -0.06 1.79 1.01 -0.48 -1.57 120.40 120.24 2x3y s VAL 50 Ca 0.39 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2x3y s VAL 50 Cb 0.07 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2x3y s VAL 50 CO 0.12 0.50 0.01 -0.76 0.00 0.00 0.00 175.10 174.97 2x3y s LEU 51 N 0.67 3.58 0.03 3.92 1.43 0.34 -0.51 118.68 128.15 2x3y s LEU 51 Ca -0.05 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 2x3y s LEU 51 Cb -0.15 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2x3y s LEU 51 CO 0.02 0.35 -0.22 -0.76 0.23 0.00 0.00 176.35 175.97 2x3y s LEU 52 N -1.11 2.15 -0.02 1.79 1.02 -0.39 -0.08 118.68 122.04 2x3y s LEU 52 Ca 0.15 -0.51 -0.02 0.00 0.02 0.00 0.00 54.13 53.77 2x3y s LEU 52 Cb -0.11 -1.04 0.01 0.00 0.02 0.00 0.00 46.19 45.06 2x3y s LEU 52 CO 0.05 0.19 0.06 0.00 0.02 0.00 0.00 176.35 176.67 2x3y s ALA 53 N -0.75 -0.14 0.01 4.21 0.00 -0.40 -0.27 121.76 124.42 2x3y s ALA 53 Ca 0.08 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.90 2x3y s ALA 53 Cb -0.09 -0.09 0.10 0.00 0.00 0.00 0.00 23.12 23.04 2x3y s ALA 53 CO 0.01 -0.03 0.93 0.20 0.00 0.00 0.00 175.76 176.87 2x3y s GLY 54 N -0.01 -0.41 0.13 0.00 0.00 -1.26 -0.86 107.32 104.91 2x3y s GLY 54 Ca -0.00 0.88 0.05 0.00 0.00 0.00 0.00 44.72 45.64 2x3y s GLY 54 CO 0.00 0.28 0.06 -1.31 0.00 0.00 0.00 173.10 172.13 2x3y s ASN 55 N -2.56 5.24 1.28 1.64 0.01 -1.26 -3.76 114.94 115.53 2x3y s ASN 55 Ca 0.07 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 2x3y s ASN 55 Cb -0.01 -1.30 0.00 0.00 0.41 0.00 0.00 41.25 40.35 2x3y s ASN 55 CO -0.07 0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 2x3y n GLY 56 N 0.06 3.45 0.31 0.66 0.00 -1.26 -0.90 105.19 107.52 2x3y n GLY 56 Ca -0.09 0.12 0.08 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 1.43 2.00 -0.02 0.00 -2.01 0.83 103.07 105.30 2x3y h GLY 57 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2x3y h GLY 57 CO 0.00 -0.04 0.00 1.44 0.00 0.00 0.00 176.54 177.94 2x3y n SER 58 N -4.86 0.61 -0.06 0.19 7.64 -0.07 -1.97 113.62 115.09 2x3y n SER 58 Ca 0.18 0.63 -0.15 0.00 1.01 0.00 0.00 58.87 60.53 2x3y n SER 58 Cb 0.45 -0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 62.83 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 2.36 0.39 -0.17 -0.43 0.00 -0.65 -1.61 119.26 119.15 2x3y h ALA 59 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.41 2x3y h ALA 59 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2x3y h ALA 59 CO 0.00 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.91 2x3y h ALA 60 N 0.63 0.18 -0.75 0.00 0.00 -1.22 -2.87 119.26 115.22 2x3y h ALA 60 Ca -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2x3y h ALA 60 Cb 1.18 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2x3y h ALA 60 CO 0.12 -0.39 0.45 -0.44 0.00 0.00 0.00 179.25 179.00 2x3y h ASP 61 N 0.13 0.90 -0.55 0.00 3.32 -1.43 -0.09 116.42 118.69 2x3y h ASP 61 Ca 0.07 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.13 2x3y h ASP 61 Cb 0.05 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 2x3y h ASP 61 CO -0.08 0.69 0.26 0.00 -1.72 0.00 0.00 179.24 178.38 2x3y h ALA 62 N 1.47 0.71 0.00 3.45 0.00 -1.08 -1.86 119.26 121.94 2x3y h ALA 62 Ca 0.27 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 2x3y h ALA 62 Cb -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2x3y h ALA 62 CO -0.05 -0.11 -0.88 -0.56 0.00 0.00 0.00 179.25 177.65 2x3y h GLN 63 N 0.48 0.00 -0.18 0.00 3.07 -1.26 -2.58 115.11 114.65 2x3y h GLN 63 Ca 0.25 0.00 0.05 0.00 0.09 0.00 0.00 58.65 59.05 2x3y h GLN 63 Cb 0.21 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.70 2x3y h GLN 63 CO -0.20 0.79 -0.34 1.25 0.09 0.00 0.00 178.83 180.42 2x3y h HIS 64 N 0.00 -0.93 -0.07 0.06 2.76 -0.62 0.18 115.15 116.52 2x3y h HIS 64 Ca -0.02 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2x3y h HIS 64 Cb 1.65 0.44 -0.00 0.00 1.55 0.00 0.00 27.41 31.04 2x3y h HIS 64 CO 0.00 -0.41 0.03 0.82 -1.30 0.00 0.00 177.93 177.07 2x3y h ILE 65 N -0.38 1.14 -0.87 6.26 1.08 -1.37 -2.67 117.51 120.70 2x3y h ILE 65 Ca 0.11 -0.42 0.22 0.00 -0.39 0.00 0.00 64.86 64.37 2x3y h ILE 65 Cb 0.56 1.29 -0.13 0.00 -3.07 0.00 0.00 36.82 35.46 2x3y h ILE 65 CO -0.39 0.12 0.30 0.00 -0.69 0.00 0.00 178.15 177.49 2x3y h ALA 66 N 0.87 1.30 -0.94 1.87 0.00 -1.30 -1.12 119.26 119.94 2x3y h ALA 66 Ca 0.02 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2x3y h ALA 66 Cb 0.17 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2x3y h ALA 66 CO -0.00 -0.40 0.56 0.78 0.00 0.00 0.00 179.25 180.19 2x3y h GLY 67 N 0.30 1.36 2.00 0.00 0.00 -0.62 -0.74 103.07 105.36 2x3y h GLY 67 Ca 0.54 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 2x3y h GLY 67 CO -0.58 0.55 -0.32 0.83 0.00 0.00 0.00 176.54 177.02 2x3y h GLU 68 N 1.29 0.00 -0.14 4.80 5.08 -1.02 0.73 114.58 125.33 2x3y h GLU 68 Ca 0.34 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.59 2x3y h GLU 68 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2x3y h GLU 68 CO -0.06 0.32 -0.33 0.74 -1.00 0.00 0.00 179.01 178.67 2x3y h PHE 69 N 0.00 0.59 0.17 4.33 0.04 -0.70 -3.22 116.94 118.16 2x3y h PHE 69 Ca -0.00 -0.23 -0.31 0.00 2.80 0.00 0.00 57.97 60.23 2x3y h PHE 69 Cb 1.14 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 39.20 2x3y h PHE 69 CO 0.00 0.95 -1.50 0.28 -0.60 0.00 0.00 178.31 177.44 2x3y h VAL 70 N 0.07 1.09 0.00 -0.55 2.07 -1.05 -0.79 116.25 117.09 2x3y h VAL 70 Ca -0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.00 2x3y h VAL 70 Cb 0.94 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2x3y h VAL 70 CO 0.07 0.79 0.00 -0.24 0.02 0.00 0.00 177.57 178.21 2x3y n SER 71 N -3.77 0.00 -3.60 0.57 2.88 0.24 -4.21 113.62 105.73 2x3y n SER 71 Ca -0.22 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.19 2x3y n SER 71 Cb 1.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.41 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 0.28 1.03 -0.01 -1.46 1.70 -1.24 -4.69 118.95 114.56 2x3y s ARG 72 Ca 0.00 -0.35 -0.01 0.00 -0.47 0.00 0.00 55.73 54.89 2x3y s ARG 72 Cb 0.00 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.84 2x3y s ARG 72 CO 0.00 -0.38 -0.02 0.34 -1.08 0.00 0.00 175.30 174.16 2x3y n PHE 73 N 0.28 0.00 -0.02 5.89 -0.00 -1.22 -4.58 117.46 117.82 2x3y n PHE 73 Ca -0.18 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.29 2x3y n PHE 73 Cb 0.61 -0.03 -0.08 0.00 -0.00 0.00 0.00 39.48 39.98 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 -2.64 2.16 -3.32 3.13 0.00 -1.26 -5.07 120.51 113.51 2x3y n ALA 74 Ca -0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 52.95 2x3y n ALA 74 Cb 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.53 -0.20 0.10 0.00 -0.12 -1.26 -5.14 117.98 108.82 2x3y s PHE 75 Ca -0.04 -0.12 -0.31 0.00 -0.05 0.00 0.00 56.93 56.41 2x3y s PHE 75 Cb 0.05 0.42 -0.07 0.00 -0.63 0.00 0.00 43.02 42.79 2x3y s PHE 75 CO 0.41 -0.90 1.34 -0.51 -0.05 0.00 0.00 175.22 175.51 2x3y s ASP 76 N -2.85 6.89 0.29 1.98 1.11 -1.26 -4.88 116.67 117.95 2x3y s ASP 76 Ca 0.07 2.24 -0.19 0.00 0.18 0.00 0.00 52.55 54.85 2x3y s ASP 76 Cb -0.01 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.46 2x3y s ASP 76 CO -0.05 -0.61 0.91 0.00 1.18 0.00 0.00 175.17 176.60 2x3y s ARG 77 N 1.16 1.81 0.83 8.23 1.04 -1.26 -5.15 118.95 125.61 2x3y s ARG 77 Ca 0.63 -1.17 -0.11 0.00 -1.04 0.00 0.00 55.73 54.04 2x3y s ARG 77 Cb -0.35 0.50 0.09 0.00 -2.04 0.00 0.00 34.95 33.16 2x3y s ARG 77 CO 0.30 -0.85 1.12 -2.14 -0.04 0.00 0.00 175.30 173.69 2x3y s PRO 78 N -2.18 1.74 0.42 3.89 0.02 -1.26 -4.98 135.00 132.65 2x3y s PRO 78 Ca 0.19 1.38 -0.25 0.00 0.02 0.00 0.00 61.00 62.34 2x3y s PRO 78 Cb -0.04 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 2x3y s PRO 78 CO 0.09 -2.06 1.21 0.20 -0.33 0.00 0.00 177.00 176.11 2x3y s GLY 79 N -2.96 2.86 0.11 0.52 0.00 -1.26 -4.99 107.32 101.60 2x3y s GLY 79 Ca 0.65 1.05 0.02 0.00 0.00 0.00 0.00 44.72 46.44 2x3y s GLY 79 CO 0.55 1.57 0.22 1.08 0.00 0.00 0.00 173.10 176.53 2x3y s LEU 80 N -2.66 4.25 -1.07 0.66 1.43 -0.30 -4.99 118.68 116.00 2x3y s LEU 80 Ca 0.59 0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 2x3y s LEU 80 Cb -0.33 -2.85 0.05 0.00 0.03 0.00 0.00 46.19 43.10 2x3y s LEU 80 CO 0.41 0.11 1.50 -2.84 0.23 0.00 0.00 176.35 175.76 2x3y s PRO 81 N -2.86 3.66 -0.00 1.29 0.02 -1.26 -3.95 135.00 131.90 2x3y s PRO 81 Ca 0.34 -1.28 0.04 0.00 0.02 0.00 0.00 61.00 60.12 2x3y s PRO 81 Cb -0.12 -5.39 -0.01 0.00 0.02 0.00 0.00 34.50 29.00 2x3y s PRO 81 CO 0.27 -2.22 -0.14 0.00 -0.33 0.00 0.00 177.00 174.59 2x3y s ALA 82 N 4.83 1.16 -0.09 -1.55 0.00 -1.26 -1.38 121.76 123.48 2x3y s ALA 82 Ca 0.47 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 2x3y s ALA 82 Cb 0.01 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2x3y s ALA 82 CO -0.07 0.27 -0.03 0.08 0.00 0.00 0.00 175.76 176.01 2x3y s VAL 83 N -0.43 0.66 0.02 0.00 1.01 0.34 -4.88 120.40 117.11 2x3y s VAL 83 Ca 0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2x3y s VAL 83 Cb -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2x3y s VAL 83 CO -0.00 0.31 0.99 0.00 0.00 0.00 0.00 175.10 176.40 2x3y s ALA 84 N 1.86 3.19 -0.63 5.51 0.00 -1.26 -1.26 121.76 129.16 2x3y s ALA 84 Ca 0.05 0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.66 2x3y s ALA 84 Cb -0.12 -3.34 0.45 0.00 0.00 0.00 0.00 23.12 20.10 2x3y s ALA 84 CO -0.07 -0.22 1.18 1.28 0.00 0.00 0.00 175.76 177.94 2x3y n LEU 85 N 3.74 3.54 -0.16 0.00 4.77 0.63 -4.07 117.00 125.46 2x3y n LEU 85 Ca 0.06 -1.80 0.05 0.00 -0.03 0.00 0.00 56.01 54.29 2x3y n LEU 85 Cb 0.50 -0.59 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2x3y n LEU 85 CO 0.52 0.46 0.55 0.35 -1.33 0.00 0.00 177.39 177.94 2x3y n THR 86 N 0.35 1.39 -0.08 -5.08 -2.24 -1.26 -4.78 114.28 102.58 2x3y n THR 86 Ca 0.15 -1.49 -0.10 0.00 -2.27 0.00 0.00 64.05 60.35 2x3y n THR 86 Cb 0.76 0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.70 1.01 -2.73 4.28 -2.24 -1.26 -4.91 114.28 107.73 2x3y n THR 87 Ca 0.08 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 2x3y n THR 87 Cb 0.45 -0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 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 -5.23 6.30 0.39 3.42 -1.08 -1.26 -4.90 116.67 114.31 2x3y s ASP 88 Ca -0.15 -0.39 0.28 0.00 -0.52 0.00 0.00 52.55 51.76 2x3y s ASP 88 Cb 0.05 -2.48 0.96 0.00 -1.46 0.00 0.00 42.92 39.99 2x3y s ASP 88 CO 0.51 -1.44 1.80 0.71 0.52 0.00 0.00 175.17 177.26 2x3y h THR 89 N 6.04 0.00 -0.11 1.71 1.35 -1.99 -0.42 112.91 119.49 2x3y h THR 89 Ca -0.27 -0.54 -0.16 0.00 -0.55 0.00 0.00 66.41 64.90 2x3y h THR 89 Cb 1.06 1.47 0.01 0.00 -1.73 0.00 0.00 68.15 68.96 2x3y h THR 89 CO 1.17 0.00 -0.55 0.28 -0.25 0.00 0.00 175.52 176.17 2x3y h SER 90 N 0.00 0.68 0.08 5.36 0.02 -1.99 -2.35 113.55 115.35 2x3y h SER 90 Ca 0.00 -0.64 -0.00 0.00 -0.84 0.00 0.00 61.79 60.31 2x3y h SER 90 Cb 0.62 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2x3y h SER 90 CO 0.00 1.21 -0.04 0.40 -1.14 0.00 0.00 176.83 177.26 2x3y h ILE 91 N 0.19 0.97 0.06 3.27 2.04 -1.86 -0.96 117.51 121.22 2x3y h ILE 91 Ca -0.04 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2x3y h ILE 91 Cb 1.19 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2x3y h ILE 91 CO 0.11 0.04 -0.06 -0.07 0.00 0.00 0.00 178.15 178.17 2x3y h LEU 92 N -0.18 -0.16 -0.91 1.44 3.38 -1.15 -1.17 115.31 116.56 2x3y h LEU 92 Ca -0.01 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2x3y h LEU 92 Cb 0.15 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2x3y h LEU 92 CO 0.02 -0.10 -0.41 0.71 0.09 0.00 0.00 178.44 178.76 2x3y h THR 93 N -0.14 0.96 -0.12 0.22 1.35 -1.47 -1.96 112.91 111.75 2x3y h THR 93 Ca 0.00 -1.60 -0.04 0.00 -0.55 0.00 0.00 66.41 64.22 2x3y h THR 93 Cb 0.13 1.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2x3y h THR 93 CO -0.02 0.40 -0.10 0.00 -0.25 0.00 0.00 175.52 175.55 2x3y h ALA 94 N 1.59 0.18 -0.32 6.62 0.00 -0.92 -2.57 119.26 123.83 2x3y h ALA 94 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2x3y h ALA 94 Cb 0.92 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2x3y h ALA 94 CO 0.05 0.01 0.02 0.82 0.00 0.00 0.00 179.25 180.16 2x3y h ILE 95 N -0.09 1.18 0.36 0.00 2.04 -1.16 0.21 117.51 120.04 2x3y h ILE 95 Ca 0.02 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 2x3y h ILE 95 Cb 0.60 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2x3y h ILE 95 CO 0.03 0.24 -0.50 1.23 0.00 0.00 0.00 178.15 179.14 2x3y h GLY 96 N 0.77 -1.23 0.79 5.37 0.00 -1.25 -0.88 103.07 106.66 2x3y h GLY 96 Ca 0.11 0.61 -0.03 0.00 0.00 0.00 0.00 47.33 48.01 2x3y h GLY 96 CO 0.01 -0.34 -0.01 3.43 0.00 0.00 0.00 176.54 179.63 2x3y h ASN 97 N -0.89 0.30 -0.13 0.19 4.21 -1.17 -2.19 115.58 115.89 2x3y h ASN 97 Ca -0.04 -0.32 -0.17 0.00 1.21 0.00 0.00 56.30 56.98 2x3y h ASN 97 Cb 0.81 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.93 2x3y h ASN 97 CO -0.14 0.55 -0.52 0.44 -1.29 0.00 0.00 177.43 176.47 2x3y h ASP 98 N 0.05 0.79 0.00 5.81 3.32 -0.60 -3.39 116.42 122.39 2x3y h ASP 98 Ca 0.05 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2x3y h ASP 98 Cb 0.40 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2x3y h ASP 98 CO 0.01 1.16 0.00 -1.22 -1.72 0.00 0.00 179.24 177.47 2x3y n TYR 99 N -3.99 0.00 0.00 4.55 4.01 -0.41 -5.06 117.16 116.25 2x3y n TYR 99 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2x3y n TYR 99 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.17 2.28 0.32 2.72 0.00 -0.72 -4.65 105.19 105.32 2x3y n GLY 100 Ca 0.00 -1.69 0.21 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.78 -1.52 116.97 118.48 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 -3.02 0.12 0.00 1.82 2.13 -1.26 -3.17 120.64 117.26 2x3y n GLU 102 Ca -0.02 0.16 0.12 0.00 0.66 0.00 0.00 57.16 58.08 2x3y n GLU 102 Cb 0.10 -1.65 0.17 0.00 0.27 0.00 0.00 31.44 30.33 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 -1.86 0.80 -0.25 5.31 4.76 -0.57 -4.43 118.16 121.92 2x3y n LYS 103 Ca 0.05 -0.58 0.04 0.00 -2.87 0.00 0.00 58.31 54.96 2x3y n LYS 103 Cb 0.33 -1.49 0.10 0.00 -1.84 0.00 0.00 35.03 32.13 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 -0.60 -0.25 -0.08 -0.35 4.77 -1.19 -1.31 117.00 118.00 2x3y n LEU 104 Ca 0.10 1.18 -0.10 0.00 -0.03 0.00 0.00 56.01 57.16 2x3y n LEU 104 Cb 0.39 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 2x3y n LEU 104 CO 0.30 -1.13 -1.04 0.49 -1.33 0.00 0.00 177.39 174.67 2x3y n PHE 105 N -5.12 0.00 -0.03 -1.77 0.99 -1.26 -4.18 117.46 106.10 2x3y n PHE 105 Ca 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.60 2x3y n PHE 105 Cb 0.34 -0.73 0.41 0.00 -1.00 0.00 0.00 39.48 38.50 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 0.51 -0.19 4.37 4.64 -1.66 -0.50 113.55 120.72 2x3y h SER 106 Ca -0.41 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 60.74 2x3y h SER 106 Cb 1.80 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 2x3y h SER 106 CO -0.02 0.37 -0.49 -0.09 -0.87 0.00 0.00 176.83 175.73 2x3y h ARG 107 N 0.60 0.66 -0.90 4.77 2.43 -1.41 -2.11 114.38 118.42 2x3y h ARG 107 Ca 0.17 -0.46 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 2x3y h ARG 107 Cb -0.05 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2x3y h ARG 107 CO -0.04 1.08 0.50 1.96 -1.51 0.00 0.00 179.97 181.97 2x3y h GLN 108 N 0.35 1.25 -0.79 0.20 4.20 -1.63 -1.23 115.11 117.46 2x3y h GLN 108 Ca -0.01 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2x3y h GLN 108 Cb 1.11 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.60 2x3y h GLN 108 CO 0.11 0.91 0.46 0.28 -0.67 0.00 0.00 178.83 179.92 2x3y h VAL 109 N 1.26 1.23 -0.51 -0.54 2.07 -1.06 -0.44 116.25 118.25 2x3y h VAL 109 Ca 0.32 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 2x3y h VAL 109 Cb 0.01 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2x3y h VAL 109 CO -0.05 0.24 -0.02 -0.61 0.02 0.00 0.00 177.57 177.15 2x3y h GLN 110 N 1.08 0.91 0.24 1.57 -0.00 -0.82 0.85 115.11 118.95 2x3y h GLN 110 Ca 0.28 -0.30 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 2x3y h GLN 110 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.39 2x3y h GLN 110 CO -0.05 0.95 -0.12 0.00 0.00 0.00 0.00 178.83 179.61 2x3y h ALA 111 N 0.93 -0.33 0.02 3.38 0.00 -1.11 -3.40 119.26 118.76 2x3y h ALA 111 Ca 0.14 -0.20 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 2x3y h ALA 111 Cb 0.55 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2x3y h ALA 111 CO 0.03 -0.47 -1.67 -0.07 0.00 0.00 0.00 179.25 177.07 2x3y h LEU 112 N -0.76 0.06-10.00 0.00 3.38 -1.09 -3.48 115.31 103.42 2x3y h LEU 112 Ca -0.03 -0.12 -0.53 0.00 0.09 0.00 0.00 57.88 57.29 2x3y h LEU 112 Cb 0.50 -0.02 0.09 0.00 0.09 0.00 0.00 40.66 41.33 2x3y h LEU 112 CO 0.06 1.11 0.56 -0.83 0.09 0.00 0.00 178.44 179.43 2x3y s GLY 113 N -5.11 2.86 0.09 0.83 0.00 0.29 -5.05 107.32 101.22 2x3y s GLY 113 Ca -0.06 1.16 0.06 0.00 0.00 0.00 0.00 44.72 45.88 2x3y s GLY 113 CO 0.82 1.67 -0.15 -1.31 0.00 0.00 0.00 173.10 174.14 2x3y s ASN 114 N -1.04 1.84 0.16 1.64 0.01 -1.26 -4.93 114.94 111.36 2x3y s ASN 114 Ca 0.65 -0.69 -0.33 0.00 -0.71 0.00 0.00 52.86 51.78 2x3y s ASN 114 Cb -0.35 -0.06 -0.16 0.00 0.41 0.00 0.00 41.25 41.08 2x3y s ASN 114 CO 0.43 -0.09 1.04 1.21 -1.51 0.00 0.00 177.10 178.18 2x3y n GLU 115 N 1.02 0.84 0.00 -0.60 2.13 -1.22 -1.10 120.64 121.70 2x3y n GLU 115 Ca -0.19 0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2x3y n GLU 115 Cb 0.55 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 1.88 3.03 3.61 8.31 0.00 -0.80 -4.96 105.19 116.25 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 -1.20 1.85 -0.03 1.61 1.01 -0.26 -4.65 116.67 115.00 2x3y s ASP 117 Ca 0.00 1.18 0.07 0.00 0.71 0.00 0.00 52.55 54.51 2x3y s ASP 117 Cb 0.00 -1.83 -0.02 0.00 1.01 0.00 0.00 42.92 42.08 2x3y s ASP 117 CO 0.00 -3.61 -0.25 -0.69 0.21 0.00 0.00 175.17 170.83 2x3y s VAL 118 N -2.83 1.98 -0.20 -1.27 1.01 -0.61 -1.53 120.40 116.95 2x3y s VAL 118 Ca 0.67 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 2x3y s VAL 118 Cb -0.19 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2x3y s VAL 118 CO 0.59 0.56 -0.07 -0.22 0.00 0.00 0.00 175.10 175.96 2x3y s LEU 119 N -0.44 2.80 -0.29 3.92 2.96 0.01 -0.51 118.68 127.15 2x3y s LEU 119 Ca 0.05 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 2x3y s LEU 119 Cb -0.11 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 2x3y s LEU 119 CO 0.01 0.02 0.14 -0.63 -1.32 0.00 0.00 176.35 174.57 2x3y s ILE 120 N 1.21 4.73 -0.10 6.68 1.01 0.88 -0.42 121.20 135.19 2x3y s ILE 120 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2x3y s ILE 120 Cb -0.14 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 2x3y s ILE 120 CO -0.02 0.19 -0.20 -0.83 0.00 0.00 0.00 174.94 174.08 2x3y s GLY 121 N 1.66 1.41 -0.15 6.18 0.00 0.07 -1.28 107.32 115.21 2x3y s GLY 121 Ca 0.06 -0.96 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 2x3y s GLY 121 CO 0.07 -0.37 0.09 -0.19 0.00 0.00 0.00 173.10 172.71 2x3y s TYR 122 N 0.19 3.40 -0.26 1.90 2.02 -0.04 -1.08 117.35 123.47 2x3y s TYR 122 Ca -0.12 0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.84 2x3y s TYR 122 Cb -0.16 -1.99 0.13 0.00 -0.40 0.00 0.00 41.96 39.54 2x3y s TYR 122 CO 0.06 0.46 0.53 0.45 -1.57 0.00 0.00 175.55 175.48 2x3y s SER 123 N -0.38 -0.71 0.35 2.29 0.15 -0.74 -4.47 113.70 110.19 2x3y s SER 123 Ca 0.10 1.01 0.17 0.00 0.70 0.00 0.00 55.95 57.94 2x3y s SER 123 Cb -0.12 1.80 0.60 0.00 -1.71 0.00 0.00 66.02 66.59 2x3y s SER 123 CO 0.02 -0.25 1.70 0.71 1.20 0.00 0.00 173.24 176.62 2x3y h THR 124 N 6.08 0.98 0.00 6.45 1.35 -1.93 -3.11 112.91 122.73 2x3y h THR 124 Ca -0.19 -1.66 -0.12 0.00 -0.55 0.00 0.00 66.41 63.90 2x3y h THR 124 Cb 1.13 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 69.51 2x3y h THR 124 CO 0.17 0.42 -0.89 0.77 -0.25 0.00 0.00 175.52 175.74 2x3y h SER 125 N 0.00 0.00 0.00 5.36 4.64 -1.95 -3.30 113.55 118.29 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 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2x3y h SER 125 CO 0.06 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2x3y n GLY 126 N 1.29 1.27 0.00 -0.77 0.00 -1.17 -4.80 105.19 101.00 2x3y n GLY 126 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 6.27 -1.34 1.61 5.02 -1.26 -4.38 118.16 122.08 2x3y n LYS 127 Ca 0.00 -0.01 -0.56 0.00 -2.02 0.00 0.00 58.31 55.72 2x3y n LYS 127 Cb 0.00 -0.60 -0.10 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 -1.03 1.33 -0.33 4.39 7.64 -1.26 -4.81 113.62 119.54 2x3y n SER 128 Ca 0.00 0.58 -0.02 0.00 1.01 0.00 0.00 58.87 60.45 2x3y n SER 128 Cb 0.03 -1.05 0.11 0.00 -1.01 0.00 0.00 64.21 62.29 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 10.29 1.11 0.00 1.43 0.11 -1.97 -1.24 132.00 141.72 2x3y h PRO 129 Ca -0.18 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 2x3y h PRO 129 Cb 1.38 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2x3y h PRO 129 CO 1.06 0.73 -0.32 -2.95 -0.21 0.00 0.00 178.00 176.32 2x3y h ASN 130 N 1.14 0.00 -0.15 -2.05 7.08 -1.88 -0.78 115.58 118.94 2x3y h ASN 130 Ca 0.34 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.46 2x3y h ASN 130 Cb -0.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.20 2x3y h ASN 130 CO -0.10 0.32 -0.33 0.40 -2.08 0.00 0.00 177.43 175.64 2x3y h ILE 131 N 0.00 1.36 -0.39 6.14 1.08 -1.67 -2.53 117.51 121.50 2x3y h ILE 131 Ca -0.00 -1.59 -0.06 0.00 -0.39 0.00 0.00 64.86 62.82 2x3y h ILE 131 Cb 0.78 1.99 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 2x3y h ILE 131 CO 0.04 0.48 0.02 -0.07 -0.69 0.00 0.00 178.15 177.93 2x3y h LEU 132 N 0.12 0.65 -1.13 1.44 3.38 -0.97 -1.75 115.31 117.04 2x3y h LEU 132 Ca 0.00 -0.29 0.11 0.00 0.09 0.00 0.00 57.88 57.79 2x3y h LEU 132 Cb 0.93 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 2x3y h LEU 132 CO 0.07 0.78 0.60 0.00 0.09 0.00 0.00 178.44 179.99 2x3y h ALA 133 N 0.89 1.61 -0.78 1.53 0.00 -1.24 -1.60 119.26 119.67 2x3y h ALA 133 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2x3y h ALA 133 Cb 0.43 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2x3y h ALA 133 CO 0.02 0.18 0.41 0.00 0.00 0.00 0.00 179.25 179.86 2x3y h ALA 134 N 1.55 1.00 -0.67 0.00 0.00 -0.88 -2.21 119.26 118.05 2x3y h ALA 134 Ca 0.45 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2x3y h ALA 134 Cb 0.47 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2x3y h ALA 134 CO -0.21 0.53 0.32 0.74 0.00 0.00 0.00 179.25 180.62 2x3y h PHE 135 N 1.09 0.96 -0.20 0.00 0.04 -0.60 0.11 116.94 118.35 2x3y h PHE 135 Ca 0.27 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.00 2x3y h PHE 135 Cb 0.06 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 2x3y h PHE 135 CO 0.00 0.72 0.13 0.00 -0.60 0.00 0.00 178.31 178.57 2x3y h ARG 136 N 0.92 0.27 0.04 1.51 3.08 -1.08 -0.27 114.38 118.86 2x3y h ARG 136 Ca 0.23 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 2x3y h ARG 136 Cb 0.12 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2x3y h ARG 136 CO -0.03 0.18 -0.02 1.49 -1.07 0.00 0.00 179.97 180.53 2x3y h GLU 137 N 0.27 -0.05 -0.32 0.04 4.57 -1.21 -2.09 114.58 115.79 2x3y h GLU 137 Ca 0.07 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.33 2x3y h GLU 137 Cb -0.02 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 2x3y h GLU 137 CO -0.02 -0.03 -0.16 0.00 -1.18 0.00 0.00 179.01 177.62 2x3y h ALA 138 N 0.91 0.08 -0.71 2.92 0.00 -0.73 -1.84 119.26 119.90 2x3y h ALA 138 Ca -0.01 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2x3y h ALA 138 Cb 0.04 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2x3y h ALA 138 CO 0.01 -0.55 0.26 -0.22 0.00 0.00 0.00 179.25 178.75 2x3y h LYS 139 N -0.12 1.06 0.00 0.00 3.64 -0.95 -1.51 116.57 118.70 2x3y h LYS 139 Ca 0.17 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2x3y h LYS 139 Cb 0.37 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2x3y h LYS 139 CO -0.40 0.87 -0.12 0.00 -2.27 0.00 0.00 179.45 177.53 2x3y h ALA 140 N 1.25 1.22 -0.01 5.00 0.00 -0.73 -1.68 119.26 124.31 2x3y h ALA 140 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2x3y h ALA 140 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2x3y h ALA 140 CO -0.02 0.15 -0.01 1.63 0.00 0.00 0.00 179.25 181.00 2x3y n LYS 141 N -3.56 1.50 -1.64 0.00 5.02 -0.73 -4.93 118.16 113.83 2x3y n LYS 141 Ca -0.01 -0.78 -0.00 0.00 -2.02 0.00 0.00 58.31 55.49 2x3y n LYS 141 Cb 0.26 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 1.16 0.37 3.90 0.72 0.00 -0.63 -3.46 105.19 107.26 2x3y n GLY 142 Ca 0.19 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.28 3.60 0.24 1.61 -1.94 -0.65 -1.90 119.30 116.98 2x3y s MET 143 Ca 0.00 -0.13 -0.30 0.00 -1.71 0.00 0.00 55.69 53.55 2x3y s MET 143 Cb 0.00 -2.85 -0.09 0.00 2.01 0.00 0.00 34.83 33.90 2x3y s MET 143 CO 0.00 0.46 1.03 0.99 -0.01 0.00 0.00 175.02 177.49 2x3y s THR 144 N -1.69 3.82 -0.26 2.05 2.01 -0.58 -4.19 115.64 116.79 2x3y s THR 144 Ca 0.41 1.77 -0.05 0.00 0.31 0.00 0.00 61.69 64.13 2x3y s THR 144 Cb -0.12 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2x3y s THR 144 CO 0.25 0.40 0.01 0.00 -0.69 0.00 0.00 174.62 174.59 2x3y s VAL 146 N 1.45 2.95 0.00 0.00 1.01 0.44 -0.50 120.40 125.75 2x3y s VAL 146 Ca 0.03 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2x3y s VAL 146 Cb -0.16 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2x3y s VAL 146 CO -0.01 0.52 -0.18 -0.83 0.00 0.00 0.00 175.10 174.60 2x3y s GLY 147 N 0.49 1.52 -0.20 4.51 0.00 0.24 -0.75 107.32 113.13 2x3y s GLY 147 Ca -0.10 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.53 2x3y s GLY 147 CO 0.04 -0.96 -0.18 -1.36 0.00 0.00 0.00 173.10 170.65 2x3y s PHE 148 N -0.82 2.88 0.10 1.90 0.08 -0.24 -0.70 117.98 121.17 2x3y s PHE 148 Ca 0.13 -1.79 0.01 0.00 0.12 0.00 0.00 56.93 55.40 2x3y s PHE 148 Cb -0.10 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.42 2x3y s PHE 148 CO 0.03 -0.82 0.11 -2.37 -0.10 0.00 0.00 175.22 172.07 2x3y n THR 149 N 4.58 0.00 -0.79 0.64 5.66 0.73 -1.79 114.28 123.31 2x3y n THR 149 Ca -0.19 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.17 2x3y n THR 149 Cb 0.48 0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.61 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 -0.18 1.58 1.05 1.09 0.00 -1.25 -0.82 105.19 106.66 2x3y n GLY 150 Ca 0.01 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.35 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 3.22 0.05 1.61 0.23 0.12 -3.74 115.26 116.74 2x3y n ASN 151 Ca 0.00 -2.00 0.13 0.00 -0.53 0.00 0.00 54.58 52.19 2x3y n ASN 151 Cb 0.00 -0.11 0.51 0.00 -2.08 0.00 0.00 39.78 38.10 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 1.42 0.13 0.00 -3.83 1.74 -1.26 -4.99 116.66 109.86 2x3y n ARG 152 Ca 0.16 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 2x3y n ARG 152 Cb 0.61 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.38 -2.21 0.00 -0.13 0.00 -1.26 -5.07 105.19 97.90 2x3y n GLY 153 Ca 0.06 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.10 0.78 0.00 -0.02 0.00 -1.26 -4.61 105.19 99.98 2x3y n GLY 154 Ca 0.00 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.11 2x3y n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2x3y n GLU 155 N 0.00 0.26 0.24 1.61 2.13 -1.26 -3.44 120.64 120.18 2x3y n GLU 155 Ca 0.00 0.08 0.11 0.00 0.66 0.00 0.00 57.16 58.00 2x3y n GLU 155 Cb 0.00 -1.50 0.63 0.00 0.27 0.00 0.00 31.44 30.84 2x3y n GLU 155 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 2x3y h MET 156 N 0.00 0.00 -0.52 5.31 2.86 -1.87 -1.31 114.93 119.41 2x3y h MET 156 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2x3y h MET 156 Cb 0.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2x3y h MET 156 CO 0.00 0.17 -0.12 0.00 1.06 0.00 0.00 176.91 178.02 2x3y h ARG 157 N 0.00 0.99 0.00 1.72 3.08 -1.89 -1.60 114.38 116.68 2x3y h ARG 157 Ca -0.00 -0.37 -0.12 0.00 0.07 0.00 0.00 59.98 59.56 2x3y h ARG 157 Cb 0.45 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2x3y h ARG 157 CO 0.02 1.04 -1.34 -0.85 -1.07 0.00 0.00 179.97 177.78 2x3y n GLU 158 N -4.14 0.62 0.08 0.04 0.00 -1.04 -4.24 120.64 111.96 2x3y n GLU 158 Ca 0.01 0.17 -0.17 0.00 0.00 0.00 0.00 57.16 57.18 2x3y n GLU 158 Cb 0.41 -1.80 -0.09 0.00 0.00 0.00 0.00 31.44 29.95 2x3y n GLU 158 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2x3y h LEU 159 N 0.00 0.65 -9.75 -1.84 3.38 -1.26 -3.46 115.31 103.03 2x3y h LEU 159 Ca -0.12 -0.58 -0.56 0.00 0.09 0.00 0.00 57.88 56.72 2x3y h LEU 159 Cb 1.41 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2x3y h LEU 159 CO 0.03 1.40 -0.01 0.00 0.09 0.00 0.00 178.44 179.94 2x3y h ASP 161 N 4.17 0.00 -3.56 0.00 3.32 -1.11 -3.45 116.42 115.79 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 1.21 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.46 2x3y h ASP 161 CO 0.64 0.62 -0.60 -0.76 -1.72 0.00 0.00 179.24 177.43 2x3y s LEU 162 N -7.04 1.03 -0.05 1.55 1.43 -0.88 -5.03 118.68 109.69 2x3y s LEU 162 Ca 0.01 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2x3y s LEU 162 Cb 0.11 0.36 0.03 0.00 0.03 0.00 0.00 46.19 46.71 2x3y s LEU 162 CO 0.75 -0.11 0.00 -0.22 0.23 0.00 0.00 176.35 177.00 2x3y s LEU 163 N 0.78 0.83 -0.24 1.79 2.96 -1.26 -0.59 118.68 122.93 2x3y s LEU 163 Ca -0.06 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2x3y s LEU 163 Cb -0.08 -0.35 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 2x3y s LEU 163 CO -0.04 -0.15 0.09 -0.76 -1.32 0.00 0.00 176.35 174.17 2x3y s LEU 164 N 1.55 3.59 -0.35 -0.68 1.43 0.12 -4.98 118.68 119.36 2x3y s LEU 164 Ca -0.02 -0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2x3y s LEU 164 Cb -0.13 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 44.22 2x3y s LEU 164 CO -0.03 -0.00 0.08 -1.61 0.23 0.00 0.00 176.35 175.02 2x3y s GLU 165 N 1.43 2.00 0.11 1.70 2.02 -1.26 -0.19 118.70 124.52 2x3y s GLU 165 Ca 0.06 -1.65 -0.31 0.00 0.02 0.00 0.00 54.97 53.09 2x3y s GLU 165 Cb -0.15 -3.32 -0.08 0.00 0.10 0.00 0.00 34.13 30.68 2x3y s GLU 165 CO 0.05 -0.88 1.43 0.08 0.02 0.00 0.00 175.26 175.96 2x3y s VAL 166 N 1.11 3.20 -0.93 2.63 1.01 -0.00 -4.81 120.40 122.61 2x3y s VAL 166 Ca 0.04 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 2x3y s VAL 166 Cb -0.21 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 2x3y s VAL 166 CO -0.04 0.06 2.09 -0.81 0.00 0.00 0.00 175.10 176.40 2x3y n PRO 167 N 4.12 2.00 -3.66 2.72 -0.04 -1.26 -1.98 135.00 136.89 2x3y n PRO 167 Ca 0.12 -1.67 -0.10 0.00 -0.04 0.00 0.00 63.50 61.81 2x3y n PRO 167 Cb 0.42 -2.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.86 -0.32 0.00 3.54 0.15 -1.26 -4.91 113.70 114.76 2x3y s SER 168 Ca 0.47 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2x3y s SER 168 Cb 0.12 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2x3y s SER 168 CO 0.01 -1.02 0.19 0.00 1.20 0.00 0.00 173.24 173.63 2x3y n ALA 169 N -0.33 2.16 -2.58 5.45 0.00 -1.26 -0.71 120.51 123.23 2x3y n ALA 169 Ca -0.12 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.73 2x3y n ALA 169 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.59 6.25 0.26 0.00 2.15 -1.26 -4.99 116.67 118.48 2x3y s ASP 170 Ca 0.00 0.12 -0.12 0.00 0.43 0.00 0.00 52.55 52.99 2x3y s ASP 170 Cb 0.00 -2.22 0.37 0.00 -0.30 0.00 0.00 42.92 40.77 2x3y s ASP 170 CO 0.00 -0.27 1.54 0.41 -0.17 0.00 0.00 175.17 176.68 2x3y n THR 171 N 5.19 -0.46 -0.10 1.71 -1.04 -1.26 -1.43 114.28 116.90 2x3y n THR 171 Ca -0.08 2.29 -0.08 0.00 -2.04 0.00 0.00 64.05 64.14 2x3y n THR 171 Cb 0.50 -3.11 -0.00 0.00 -1.82 0.00 0.00 70.33 65.90 2x3y n THR 171 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2x3y h PRO 172 N 0.00 0.36 -0.39 -2.82 0.11 -2.00 -1.13 132.00 126.13 2x3y h PRO 172 Ca 0.42 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.39 2x3y h PRO 172 Cb 0.67 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2x3y h PRO 172 CO -1.00 0.24 -0.26 0.87 -0.21 0.00 0.00 178.00 177.64 2x3y h LYS 173 N 0.37 0.80 -0.80 1.05 1.79 -1.67 -1.23 116.57 116.88 2x3y h LYS 173 Ca 0.13 -0.34 -0.04 0.00 -2.18 0.00 0.00 60.65 58.22 2x3y h LYS 173 Cb 0.02 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 2x3y h LYS 173 CO -0.08 0.97 0.33 0.82 -1.08 0.00 0.00 179.45 180.41 2x3y h ILE 174 N 0.69 1.26 -0.24 1.86 2.04 -1.11 -1.90 117.51 120.12 2x3y h ILE 174 Ca 0.09 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 2x3y h ILE 174 Cb 0.78 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2x3y h ILE 174 CO 0.06 0.33 0.06 1.56 0.00 0.00 0.00 178.15 180.17 2x3y h GLN 175 N 1.16 0.38 -0.98 2.37 4.20 -0.68 -1.55 115.11 120.01 2x3y h GLN 175 Ca 0.27 -0.09 0.18 0.00 0.06 0.00 0.00 58.65 59.07 2x3y h GLN 175 Cb 0.21 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.83 2x3y h GLN 175 CO -0.02 0.49 0.58 0.93 -0.67 0.00 0.00 178.83 180.13 2x3y h GLU 176 N 0.21 0.72 -0.54 1.46 5.08 -1.08 -1.03 114.58 119.39 2x3y h GLU 176 Ca 0.07 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2x3y h GLU 176 Cb 0.28 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2x3y h GLU 176 CO 0.00 0.48 0.12 0.78 -1.00 0.00 0.00 179.01 179.38 2x3y h GLY 177 N 0.74 0.95 1.04 -3.84 0.00 -0.86 -2.72 103.07 98.39 2x3y h GLY 177 Ca 0.56 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2x3y h GLY 177 CO -0.38 0.57 0.60 0.45 0.00 0.00 0.00 176.54 177.77 2x3y h HIS 178 N 0.78 1.11 -0.24 5.60 3.86 -0.22 -0.72 115.15 125.32 2x3y h HIS 178 Ca 0.17 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 2x3y h HIS 178 Cb 0.37 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2x3y h HIS 178 CO 0.03 0.67 -0.01 1.25 0.86 0.00 0.00 177.93 180.72 2x3y h LEU 179 N 1.17 0.43 -0.39 2.43 5.85 -1.20 0.15 115.31 123.75 2x3y h LEU 179 Ca 0.35 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2x3y h LEU 179 Cb -0.05 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2x3y h LEU 179 CO -0.09 0.65 0.21 0.58 -0.34 0.00 0.00 178.44 179.45 2x3y h VAL 180 N 0.20 1.01 0.00 1.05 2.07 -1.14 -0.41 116.25 119.03 2x3y h VAL 180 Ca 0.07 -0.15 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 2x3y h VAL 180 Cb 0.44 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2x3y h VAL 180 CO 0.02 0.08 -0.69 -0.07 0.02 0.00 0.00 177.57 176.93 2x3y h LEU 181 N 0.43 0.00 -0.12 2.57 3.38 -1.04 -2.87 115.31 117.67 2x3y h LEU 181 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2x3y h LEU 181 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2x3y h LEU 181 CO -0.09 0.69 0.03 1.23 0.09 0.00 0.00 178.44 180.39 2x3y h GLY 182 N 2.16 0.20 -0.07 0.83 0.00 -0.29 -1.57 103.07 104.33 2x3y h GLY 182 Ca -0.01 -0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.29 2x3y h GLY 182 CO 0.09 0.12 -0.23 0.45 0.00 0.00 0.00 176.54 176.97 2x3y h HIS 183 N -0.01 -0.59 -0.57 5.60 3.86 -1.05 -1.39 115.15 121.00 2x3y h HIS 183 Ca 0.04 0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 2x3y h HIS 183 Cb 0.25 0.33 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 2x3y h HIS 183 CO 0.01 -0.31 0.33 0.82 0.86 0.00 0.00 177.93 179.64 2x3y h ILE 184 N -0.15 1.03 -0.83 2.45 2.04 -1.32 -0.88 117.51 119.85 2x3y h ILE 184 Ca 0.20 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2x3y h ILE 184 Cb 0.46 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 2x3y h ILE 184 CO -0.51 0.12 0.51 0.58 0.00 0.00 0.00 178.15 178.85 2x3y h VAL 185 N 0.65 1.04 0.13 1.67 2.07 -0.78 -2.16 116.25 118.87 2x3y h VAL 185 Ca 0.24 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2x3y h VAL 185 Cb 0.07 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2x3y h VAL 185 CO -0.12 0.17 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 2x3y h GLY 187 N -0.33 0.32 1.00 0.00 0.00 -0.92 0.87 103.07 104.00 2x3y h GLY 187 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2x3y h GLY 187 CO 0.03 -0.19 0.37 1.41 0.00 0.00 0.00 176.54 178.16 2x3y h LEU 188 N -0.02 0.70 -0.04 3.11 3.38 -1.29 0.01 115.31 121.16 2x3y h LEU 188 Ca 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2x3y h LEU 188 Cb 0.36 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2x3y h LEU 188 CO -0.50 0.54 -0.01 0.58 0.09 0.00 0.00 178.44 179.14 2x3y h VAL 189 N 0.80 1.31 -0.58 1.22 2.07 -0.69 -0.73 116.25 119.65 2x3y h VAL 189 Ca 0.21 -0.94 0.12 0.00 0.82 0.00 0.00 66.70 66.91 2x3y h VAL 189 Cb -0.05 1.86 -0.10 0.00 -1.52 0.00 0.00 31.29 31.49 2x3y h VAL 189 CO -0.04 0.25 -0.03 -0.08 0.02 0.00 0.00 177.57 177.69 2x3y h GLU 190 N -0.29 0.09 -0.27 1.57 4.81 -0.70 -1.93 114.58 117.85 2x3y h GLU 190 Ca 0.01 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 2x3y h GLU 190 Cb 0.42 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2x3y h GLU 190 CO 0.00 0.06 -0.43 1.25 -0.73 0.00 0.00 179.01 179.17 2x3y h HIS 191 N 0.09 0.96 -0.88 0.92 2.76 -0.89 -1.52 115.15 116.59 2x3y h HIS 191 Ca 0.29 -0.33 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 2x3y h HIS 191 Cb 0.47 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 2x3y h HIS 191 CO -0.37 1.12 0.46 1.03 -1.30 0.00 0.00 177.93 178.86 2x3y h SER 192 N 0.52 1.13 0.32 3.26 0.87 -0.85 0.95 113.55 119.75 2x3y h SER 192 Ca 0.02 -0.12 -0.33 0.00 -1.23 0.00 0.00 61.79 60.14 2x3y h SER 192 Cb 1.03 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 2x3y h SER 192 CO 0.10 0.92 -1.71 0.40 -0.53 0.00 0.00 176.83 176.01 2x3y h ILE 193 N 1.25 0.94 0.00 2.23 2.04 -1.36 -3.40 117.51 119.22 2x3y h ILE 193 Ca 0.31 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.56 2x3y h ILE 193 Cb 0.07 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2x3y h ILE 193 CO -0.04 0.81 0.00 0.49 0.00 0.00 0.00 178.15 179.40 2x3y n PHE 194 N -3.44 0.00 0.92 1.37 0.99 -0.57 -5.11 117.46 111.61 2x3y n PHE 194 Ca -0.22 -0.30 0.07 0.00 -0.00 0.00 0.00 57.45 57.01 2x3y n PHE 194 Cb 1.05 -0.03 0.44 0.00 -1.00 0.00 0.00 39.48 39.94 2x3y n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17