#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3y n ASN -5 N 0.00 -0.45 0.04 4.31 6.94 -1.26 -4.81 115.26 120.02 2x3y n ASN -5 Ca 0.00 -1.31 -0.12 0.00 -0.02 0.00 0.00 54.58 53.13 2x3y n ASN -5 Cb 0.00 -0.86 -0.07 0.00 -2.36 0.00 0.00 39.78 36.50 2x3y n ASN -5 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2x3y h LEU -4 N 0.00 0.01 -0.22 -4.53 5.85 -2.05 -2.00 115.31 112.37 2x3y h LEU -4 Ca -0.36 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.41 2x3y h LEU -4 Cb 1.01 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 2x3y h LEU -4 CO 0.25 0.02 -0.22 0.22 -0.34 0.00 0.00 178.44 178.37 2x3y h TYR -3 N 0.01 -0.57 -0.54 1.25 3.20 -1.99 0.14 116.97 118.46 2x3y h TYR -3 Ca 0.00 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 2x3y h TYR -3 Cb 0.01 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2x3y h TYR -3 CO -0.08 -0.30 -0.08 0.74 -1.64 0.00 0.00 178.16 176.81 2x3y h PHE -2 N -0.23 1.09 -0.86 -3.82 -1.00 -1.92 -2.05 116.94 108.16 2x3y h PHE -2 Ca 0.13 -0.21 0.06 0.00 2.81 0.00 0.00 57.97 60.76 2x3y h PHE -2 Cb 0.43 -0.28 -0.05 0.00 3.61 0.00 0.00 35.95 39.66 2x3y h PHE -2 CO -0.37 1.01 0.56 1.96 -1.61 0.00 0.00 178.31 179.86 2x3y h GLN -1 N 0.89 0.96 0.00 1.51 4.20 -0.83 -2.93 115.11 118.90 2x3y h GLN -1 Ca 0.15 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.59 2x3y h GLN -1 Cb 0.63 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2x3y h GLN -1 CO 0.04 0.63 -0.99 0.66 -0.67 0.00 0.00 178.83 178.50 2x3y h SER 0 N 0.99 0.00 -0.38 1.46 4.64 -0.08 -3.08 113.55 117.10 2x3y h SER 0 Ca 0.36 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2x3y h SER 0 Cb 0.16 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2x3y h SER 0 CO -0.13 0.99 0.00 0.23 -0.87 0.00 0.00 176.83 177.06 2x3y n MET 1 N -3.36 2.86 -0.10 4.77 2.81 -0.84 -4.57 117.12 118.69 2x3y n MET 1 Ca -0.00 -1.77 -0.07 0.00 -1.81 0.00 0.00 57.70 54.05 2x3y n MET 1 Cb 0.93 -1.74 0.01 0.00 -0.71 0.00 0.00 33.22 31.71 2x3y n MET 1 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2x3y h GLU 2 N 2.44 0.30 0.18 0.03 5.08 -1.43 -2.08 114.58 119.10 2x3y h GLU 2 Ca 0.00 -0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 2x3y h GLU 2 Cb 1.10 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.30 2x3y h GLU 2 CO 0.19 0.20 -1.47 -0.91 -1.00 0.00 0.00 179.01 176.02 2x3y h ASN 3 N 0.31 0.60 -0.48 1.42 4.21 -1.86 -1.65 115.58 118.13 2x3y h ASN 3 Ca 0.16 -0.71 0.07 0.00 1.21 0.00 0.00 56.30 57.03 2x3y h ASN 3 Cb 0.10 -0.20 -0.06 0.00 -1.12 0.00 0.00 38.32 37.05 2x3y h ASN 3 CO -0.14 1.57 0.13 0.03 -1.29 0.00 0.00 177.43 177.74 2x3y h ARG 4 N 0.11 0.28 -0.33 0.81 3.08 -1.88 0.17 114.38 116.61 2x3y h ARG 4 Ca -0.23 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.75 2x3y h ARG 4 Cb 2.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 32.05 2x3y h ARG 4 CO 0.22 0.18 0.01 0.93 -1.07 0.00 0.00 179.97 180.25 2x3y h GLU 5 N 0.29 0.57 -0.75 0.04 5.08 -1.31 -1.44 114.58 117.06 2x3y h GLU 5 Ca 0.24 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2x3y h GLU 5 Cb 0.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2x3y h GLU 5 CO -0.28 0.69 0.48 1.25 -1.00 0.00 0.00 179.01 180.16 2x3y h LEU 6 N 0.38 0.87 -0.31 1.33 5.85 -0.96 -1.48 115.31 121.00 2x3y h LEU 6 Ca 0.10 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2x3y h LEU 6 Cb 0.42 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2x3y h LEU 6 CO 0.01 0.65 0.13 0.74 -0.34 0.00 0.00 178.44 179.63 2x3y h THR 7 N 1.02 0.96 -0.53 1.05 2.02 -0.40 0.10 112.91 117.12 2x3y h THR 7 Ca 0.27 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.38 2x3y h THR 7 Cb -0.09 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 2x3y h THR 7 CO -0.06 0.05 0.31 0.22 0.37 0.00 0.00 175.52 176.41 2x3y h TYR 8 N 0.29 0.57 0.36 3.16 3.20 -0.99 0.21 116.97 123.77 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 0.07 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2x3y h TYR 8 CO -0.11 0.32 -0.19 0.82 -1.64 0.00 0.00 178.16 177.36 2x3y h ILE 9 N 0.61 0.62 -0.50 1.81 2.04 -0.85 -1.90 117.51 119.34 2x3y h ILE 9 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 2x3y h ILE 9 Cb 0.04 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2x3y h ILE 9 CO -0.10 0.00 0.20 0.71 0.00 0.00 0.00 178.15 178.96 2x3y h THR 10 N -0.50 1.21 -1.00 -0.27 1.35 -0.83 -2.49 112.91 110.38 2x3y h THR 10 Ca -0.05 -0.65 0.07 0.00 -0.55 0.00 0.00 66.41 65.22 2x3y h THR 10 Cb 0.39 0.70 -0.07 0.00 -1.73 0.00 0.00 68.15 67.45 2x3y h THR 10 CO 0.07 0.25 0.64 0.78 -0.25 0.00 0.00 175.52 177.01 2x3y h ASN 11 N 0.67 1.03 -0.56 5.36 2.35 -0.90 0.48 115.58 124.02 2x3y h ASN 11 Ca 0.17 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 2x3y h ASN 11 Cb 0.19 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2x3y h ASN 11 CO -0.01 0.66 0.14 0.28 -1.65 0.00 0.00 177.43 176.84 2x3y h SER 12 N 1.17 0.86 -0.31 5.81 0.02 -0.98 0.04 113.55 120.16 2x3y h SER 12 Ca 0.43 -0.23 -0.18 0.00 -0.84 0.00 0.00 61.79 60.97 2x3y h SER 12 Cb 0.17 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 2x3y h SER 12 CO -0.17 0.87 -0.49 0.40 -1.14 0.00 0.00 176.83 176.29 2x3y h ILE 13 N 0.80 1.28 -0.50 3.27 2.04 -1.10 -2.50 117.51 120.80 2x3y h ILE 13 Ca 0.18 -1.67 0.01 0.00 1.00 0.00 0.00 64.86 64.37 2x3y h ILE 13 Cb 0.35 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2x3y h ILE 13 CO 0.00 0.55 0.32 0.00 0.00 0.00 0.00 178.15 179.02 2x3y h ALA 14 N 0.70 0.63 -0.98 1.87 0.00 -0.75 -1.35 119.26 119.38 2x3y h ALA 14 Ca 0.03 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2x3y h ALA 14 Cb 1.10 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2x3y h ALA 14 CO 0.11 0.06 0.65 1.49 0.00 0.00 0.00 179.25 181.56 2x3y h GLU 15 N 0.66 1.23 -0.22 0.00 4.57 -0.94 -2.22 114.58 117.65 2x3y h GLU 15 Ca 0.19 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2x3y h GLU 15 Cb -0.05 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.25 2x3y h GLU 15 CO -0.05 0.81 -0.08 0.00 -1.18 0.00 0.00 179.01 178.51 2x3y h ALA 16 N 1.42 0.30 -0.71 2.92 0.00 -0.96 -2.22 119.26 120.01 2x3y h ALA 16 Ca 0.38 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2x3y h ALA 16 Cb -0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.58 2x3y h ALA 16 CO -0.11 0.12 0.26 0.37 0.00 0.00 0.00 179.25 179.90 2x3y h GLN 17 N 0.15 0.40 -0.56 0.00 4.15 -1.07 -1.72 115.11 116.46 2x3y h GLN 17 Ca 0.05 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2x3y h GLN 17 Cb 0.56 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 2x3y h GLN 17 CO 0.03 0.26 0.36 0.07 -1.93 0.00 0.00 178.83 177.62 2x3y h ARG 18 N 0.41 0.75 -0.28 1.69 0.11 -1.29 -1.45 114.38 114.31 2x3y h ARG 18 Ca 0.39 -0.05 0.05 0.00 0.10 0.00 0.00 59.98 60.46 2x3y h ARG 18 Cb 0.57 -0.16 -0.04 0.00 1.11 0.00 0.00 29.97 31.44 2x3y h ARG 18 CO -0.39 0.51 0.01 0.28 0.10 0.00 0.00 179.97 180.48 2x3y h VAL 19 N 0.76 0.81 -0.49 0.08 2.07 -0.74 0.21 116.25 118.95 2x3y h VAL 19 Ca 0.20 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.71 2x3y h VAL 19 Cb -0.06 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2x3y h VAL 19 CO -0.04 0.02 0.30 0.24 0.02 0.00 0.00 177.57 178.11 2x3y h MET 20 N 0.10 0.58 -0.43 1.57 2.86 -1.23 -0.77 114.93 117.61 2x3y h MET 20 Ca 0.13 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2x3y h MET 20 Cb 0.17 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2x3y h MET 20 CO -0.22 0.39 0.22 0.00 1.06 0.00 0.00 176.91 178.36 2x3y h ALA 21 N 1.21 0.54 -0.61 6.32 0.00 -0.64 -0.35 119.26 125.73 2x3y h ALA 21 Ca 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2x3y h ALA 21 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2x3y h ALA 21 CO -0.08 -0.14 0.22 0.00 0.00 0.00 0.00 179.25 179.26 2x3y h ALA 22 N 1.23 1.25 -0.44 0.00 0.00 -0.13 -2.21 119.26 118.96 2x3y h ALA 22 Ca 0.18 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2x3y h ALA 22 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2x3y h ALA 22 CO -0.13 0.54 -0.27 0.52 0.00 0.00 0.00 179.25 179.92 2x3y h MET 23 N 0.88 0.95 0.00 0.00 2.86 -0.76 -2.70 114.93 116.16 2x3y h MET 23 Ca 0.20 -0.44 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2x3y h MET 23 Cb 0.20 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2x3y h MET 23 CO -0.02 1.11 -0.02 1.25 1.06 0.00 0.00 176.91 180.29 2x3y h LEU 24 N 0.79 0.00 -1.86 1.22 5.85 -0.57 -2.39 115.31 118.35 2x3y h LEU 24 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2x3y h LEU 24 Cb 0.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2x3y h LEU 24 CO 0.08 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 2x3y n ALA 25 N -2.47 2.47 -3.27 1.25 0.00 -0.88 -4.79 120.51 112.82 2x3y n ALA 25 Ca -0.03 -0.75 -0.46 0.00 0.00 0.00 0.00 53.44 52.20 2x3y n ALA 25 Cb 0.11 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 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 6.46 0.38 0.00 -1.08 -0.90 -4.91 116.67 114.84 2x3y s ASP 26 Ca 0.33 -2.15 0.10 0.00 -0.52 0.00 0.00 52.55 50.32 2x3y s ASP 26 Cb 0.21 -2.23 0.75 0.00 -1.46 0.00 0.00 42.92 40.18 2x3y s ASP 26 CO 0.31 -0.78 1.88 -0.33 0.52 0.00 0.00 175.17 176.76 2x3y h GLU 27 N 8.45 0.17 -0.43 4.34 5.08 -1.86 -1.68 114.58 128.63 2x3y h GLU 27 Ca -0.10 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 2x3y h GLU 27 Cb 1.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2x3y h GLU 27 CO 0.93 0.39 -0.22 -0.09 -1.00 0.00 0.00 179.01 179.02 2x3y h ARG 28 N 0.15 0.91 0.05 2.33 2.43 -1.96 -1.26 114.38 117.03 2x3y h ARG 28 Ca 0.03 -0.40 0.02 0.00 -0.81 0.00 0.00 59.98 58.81 2x3y h ARG 28 Cb 0.49 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2x3y h ARG 28 CO 0.03 1.06 -0.13 1.25 -1.51 0.00 0.00 179.97 180.67 2x3y h LEU 29 N 0.74 -0.38 -0.70 3.80 6.46 -1.74 -0.12 115.31 123.38 2x3y h LEU 29 Ca 0.10 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 2x3y h LEU 29 Cb 0.79 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.81 2x3y h LEU 29 CO 0.07 -0.20 0.39 -0.07 -0.62 0.00 0.00 178.44 178.01 2x3y h LEU 30 N -0.25 0.56 -1.38 2.25 3.38 -1.22 0.34 115.31 118.99 2x3y h LEU 30 Ca 0.03 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2x3y h LEU 30 Cb 0.29 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2x3y h LEU 30 CO -0.10 0.35 0.03 0.00 0.09 0.00 0.00 178.44 178.81 2x3y h ALA 31 N 1.38 1.50 -0.24 1.53 0.00 -0.89 -2.23 119.26 120.31 2x3y h ALA 31 Ca 0.33 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 2x3y h ALA 31 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2x3y h ALA 31 CO -0.21 0.36 -0.55 1.15 0.00 0.00 0.00 179.25 180.01 2x3y h THR 32 N 0.43 1.29 -0.25 0.00 2.02 0.81 -2.67 112.91 114.54 2x3y h THR 32 Ca 0.10 -1.74 0.06 0.00 0.77 0.00 0.00 66.41 65.59 2x3y h THR 32 Cb 0.24 1.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.34 2x3y h THR 32 CO 0.00 0.56 -0.15 0.58 0.37 0.00 0.00 175.52 176.88 2x3y h VAL 33 N 0.55 0.56 -0.54 3.16 2.07 -0.71 -1.20 116.25 120.15 2x3y h VAL 33 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2x3y h VAL 33 Cb 1.16 0.56 -0.11 0.00 -1.52 0.00 0.00 31.29 31.38 2x3y h VAL 33 CO 0.12 0.00 -0.23 -0.09 0.02 0.00 0.00 177.57 177.39 2x3y h ARG 34 N -0.13 -0.10 -0.39 1.57 9.65 -1.34 -2.39 114.38 121.26 2x3y h ARG 34 Ca 0.14 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.96 2x3y h ARG 34 Cb 0.33 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 2x3y h ARG 34 CO -0.33 -0.07 -0.05 0.87 2.80 0.00 0.00 179.97 183.19 2x3y h LYS 35 N -0.10 0.64 -0.16 0.20 1.57 -0.93 -1.27 116.57 116.52 2x3y h LYS 35 Ca 0.25 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2x3y h LYS 35 Cb 0.49 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2x3y h LYS 35 CO -0.60 0.69 0.08 0.28 -0.57 0.00 0.00 179.45 179.33 2x3y h VAL 36 N 0.60 1.13 -0.63 0.50 2.07 -0.87 0.15 116.25 119.19 2x3y h VAL 36 Ca 0.12 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.32 2x3y h VAL 36 Cb 0.45 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 2x3y h VAL 36 CO 0.02 0.12 0.31 0.00 0.02 0.00 0.00 177.57 178.05 2x3y h ALA 37 N 0.94 0.84 -0.62 1.67 0.00 -1.07 -1.96 119.26 119.06 2x3y h ALA 37 Ca 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2x3y h ALA 37 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2x3y h ALA 37 CO -0.01 -0.05 0.14 -0.44 0.00 0.00 0.00 179.25 178.89 2x3y h ASP 38 N 0.57 0.92 -0.07 0.00 3.32 -0.74 -1.12 116.42 119.29 2x3y h ASP 38 Ca 0.29 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.18 2x3y h ASP 38 Cb 0.25 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2x3y h ASP 38 CO -0.22 0.90 -0.05 0.00 -1.72 0.00 0.00 179.24 178.15 2x3y h ALA 39 N 1.22 0.02 -0.37 3.45 0.00 -0.01 -0.85 119.26 122.70 2x3y h ALA 39 Ca 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2x3y h ALA 39 Cb 0.34 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2x3y h ALA 39 CO 0.00 -0.52 0.22 0.00 0.00 0.00 0.00 179.25 178.95 2x3y h ILE 41 N 0.48 0.92 -0.46 0.00 2.04 -1.03 -0.50 117.51 118.97 2x3y h ILE 41 Ca 0.13 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.74 2x3y h ILE 41 Cb 0.02 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2x3y h ILE 41 CO -0.02 0.07 -0.21 0.00 0.00 0.00 0.00 178.15 177.98 2x3y h ALA 42 N 1.25 0.76 0.11 1.87 0.00 -0.96 -0.22 119.26 122.07 2x3y h ALA 42 Ca 0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2x3y h ALA 42 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x3y h ALA 42 CO -0.16 0.66 -0.05 1.03 0.00 0.00 0.00 179.25 180.72 2x3y h SER 43 N 0.80 -0.13 -0.86 0.00 0.87 -0.90 -2.53 113.55 110.80 2x3y h SER 43 Ca 0.11 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2x3y h SER 43 Cb 0.77 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 2x3y h SER 43 CO 0.06 0.01 0.46 0.40 -0.53 0.00 0.00 176.83 177.23 2x3y h ILE 44 N -0.26 1.25 0.00 2.23 2.04 -1.02 0.22 117.51 121.97 2x3y h ILE 44 Ca -0.02 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 2x3y h ILE 44 Cb 0.21 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2x3y h ILE 44 CO 0.03 0.29 -0.05 0.00 0.00 0.00 0.00 178.15 178.41 2x3y h ALA 45 N 1.30 1.15 -0.40 1.87 0.00 -0.86 -1.49 119.26 120.83 2x3y h ALA 45 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2x3y h ALA 45 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2x3y h ALA 45 CO -0.05 0.06 0.00 0.94 0.00 0.00 0.00 179.25 180.20 2x3y n GLN 46 N -3.36 2.41 0.00 0.00 0.00 -0.81 -4.93 117.38 110.70 2x3y n GLN 46 Ca -0.02 -2.21 0.00 0.00 -0.00 0.00 0.00 57.00 54.77 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 1.31 1.05 0.68 1.69 0.00 -0.56 -5.08 105.19 104.29 2x3y n GLY 47 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.76 0.18 3.34 -0.02 0.00 0.72 -4.96 105.19 102.69 2x3y n GLY 48 Ca 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 2x3y n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x3y s LYS 49 N -3.05 1.31 -0.15 1.61 -2.85 -1.26 -4.35 119.74 110.99 2x3y s LYS 49 Ca 0.12 -1.47 -0.01 0.00 -1.00 0.00 0.00 55.97 53.61 2x3y s LYS 49 Cb -0.01 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 2x3y s LYS 49 CO 0.08 -0.47 -0.11 0.08 0.10 0.00 0.00 175.35 175.03 2x3y s VAL 50 N -4.10 3.11 -0.01 1.79 1.01 -0.64 -1.32 120.40 120.24 2x3y s VAL 50 Ca 0.32 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2x3y s VAL 50 Cb 0.04 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2x3y s VAL 50 CO 0.10 0.50 -0.03 -0.76 0.00 0.00 0.00 175.10 174.91 2x3y s LEU 51 N 0.66 3.37 0.04 3.92 1.43 0.46 -0.21 118.68 128.36 2x3y s LEU 51 Ca -0.06 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 2x3y s LEU 51 Cb -0.15 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2x3y s LEU 51 CO 0.02 0.29 -0.19 -0.76 0.23 0.00 0.00 176.35 175.94 2x3y s LEU 52 N -1.41 2.16 -0.04 1.79 1.02 -0.27 0.12 118.68 122.05 2x3y s LEU 52 Ca 0.18 -0.50 -0.04 0.00 0.02 0.00 0.00 54.13 53.79 2x3y s LEU 52 Cb -0.11 -0.90 0.01 0.00 0.02 0.00 0.00 46.19 45.21 2x3y s LEU 52 CO 0.08 0.14 0.11 0.00 0.02 0.00 0.00 176.35 176.70 2x3y s ALA 53 N -0.80 -0.27 0.07 4.21 0.00 -0.14 0.07 121.76 124.89 2x3y s ALA 53 Ca 0.06 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.11 2x3y s ALA 53 Cb -0.09 -0.22 0.09 0.00 0.00 0.00 0.00 23.12 22.90 2x3y s ALA 53 CO 0.02 -0.07 0.84 0.20 0.00 0.00 0.00 175.76 176.75 2x3y s GLY 54 N 0.21 -0.43 0.15 0.00 0.00 -1.26 -0.70 107.32 105.28 2x3y s GLY 54 Ca -0.01 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.45 2x3y s GLY 54 CO -0.01 0.22 0.05 -1.31 0.00 0.00 0.00 173.10 172.06 2x3y s ASN 55 N -2.64 5.15 1.22 1.64 0.01 -1.26 -3.79 114.94 115.27 2x3y s ASN 55 Ca 0.06 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 2x3y s ASN 55 Cb -0.01 -1.24 0.00 0.00 0.41 0.00 0.00 41.25 40.41 2x3y s ASN 55 CO -0.07 0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.24 2x3y n GLY 56 N -0.00 3.38 0.26 0.66 0.00 -1.26 -1.28 105.19 106.94 2x3y n GLY 56 Ca -0.09 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 0.98 2.00 -0.02 0.00 -2.01 0.11 103.07 104.13 2x3y h GLY 57 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2x3y h GLY 57 CO 0.00 -0.15 0.00 1.76 0.00 0.00 0.00 176.54 178.15 2x3y h SER 58 N 0.31 0.00 -0.18 0.19 0.02 -1.53 -1.59 113.55 110.78 2x3y h SER 58 Ca 0.38 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.16 2x3y h SER 58 Cb 0.61 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.16 2x3y h SER 58 CO -0.45 0.00 -0.55 0.00 -1.14 0.00 0.00 176.83 174.69 2x3y h ALA 59 N 2.19 0.30 -0.77 3.77 0.00 -0.62 -1.79 119.26 122.33 2x3y h ALA 59 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.43 2x3y h ALA 59 Cb 0.29 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2x3y h ALA 59 CO 0.00 0.52 0.48 0.00 0.00 0.00 0.00 179.25 180.25 2x3y h ALA 60 N 0.56 1.03 -0.46 0.00 0.00 -1.10 -2.88 119.26 116.41 2x3y h ALA 60 Ca -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2x3y h ALA 60 Cb 1.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2x3y h ALA 60 CO 0.12 0.26 -0.09 -0.44 0.00 0.00 0.00 179.25 179.10 2x3y h ASP 61 N 0.93 0.81 -0.55 0.00 3.32 -1.27 -1.00 116.42 118.66 2x3y h ASP 61 Ca 0.32 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 57.16 2x3y h ASP 61 Cb 0.06 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2x3y h ASP 61 CO -0.13 0.93 0.32 0.00 -1.72 0.00 0.00 179.24 178.64 2x3y h ALA 62 N 1.15 0.71 0.06 3.45 0.00 -1.12 -2.02 119.26 121.50 2x3y h ALA 62 Ca 0.13 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 2x3y h ALA 62 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2x3y h ALA 62 CO 0.04 0.03 -1.10 -0.56 0.00 0.00 0.00 179.25 177.65 2x3y h GLN 63 N 0.63 0.13 -0.41 0.00 3.07 -1.34 -2.62 115.11 114.58 2x3y h GLN 63 Ca 0.23 -0.22 0.06 0.00 0.09 0.00 0.00 58.65 58.81 2x3y h GLN 63 Cb 0.06 0.08 -0.09 0.00 0.08 0.00 0.00 27.48 27.61 2x3y h GLN 63 CO -0.11 1.10 -0.47 1.25 0.09 0.00 0.00 178.83 180.68 2x3y h HIS 64 N 0.04 -1.40 -0.34 0.06 2.76 -0.92 0.77 115.15 116.11 2x3y h HIS 64 Ca -0.07 0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2x3y h HIS 64 Cb 1.85 0.67 -0.02 0.00 1.55 0.00 0.00 27.41 31.46 2x3y h HIS 64 CO 0.03 -0.46 0.17 0.82 -1.30 0.00 0.00 177.93 177.19 2x3y h ILE 65 N -0.35 1.16 -0.76 6.26 1.08 -1.40 -2.72 117.51 120.78 2x3y h ILE 65 Ca 0.12 -0.45 0.14 0.00 -0.39 0.00 0.00 64.86 64.28 2x3y h ILE 65 Cb 0.59 0.82 -0.09 0.00 -3.07 0.00 0.00 36.82 35.07 2x3y h ILE 65 CO -0.59 0.17 0.32 0.00 -0.69 0.00 0.00 178.15 177.36 2x3y h ALA 66 N 1.02 1.08 -0.82 1.87 0.00 -1.12 -1.27 119.26 120.02 2x3y h ALA 66 Ca 0.12 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2x3y h ALA 66 Cb 0.11 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2x3y h ALA 66 CO -0.02 -0.19 0.54 0.78 0.00 0.00 0.00 179.25 180.37 2x3y h GLY 67 N 0.47 1.16 1.91 0.00 0.00 -0.55 -0.40 103.07 105.67 2x3y h GLY 67 Ca 0.42 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2x3y h GLY 67 CO -0.39 0.35 -0.13 0.83 0.00 0.00 0.00 176.54 177.20 2x3y h GLU 68 N 1.02 0.00 -0.02 4.80 5.08 -1.03 0.96 114.58 125.38 2x3y h GLU 68 Ca 0.33 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.54 2x3y h GLU 68 Cb 0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2x3y h GLU 68 CO -0.10 0.04 -0.54 0.74 -1.00 0.00 0.00 179.01 178.16 2x3y h PHE 69 N 0.00 0.59 0.17 4.33 0.04 -0.71 -3.23 116.94 118.12 2x3y h PHE 69 Ca -0.00 -0.30 -0.30 0.00 2.80 0.00 0.00 57.97 60.17 2x3y h PHE 69 Cb 1.04 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.13 2x3y h PHE 69 CO 0.00 1.11 -1.43 0.28 -0.60 0.00 0.00 178.31 177.66 2x3y h VAL 70 N -0.10 1.13 0.00 -0.55 2.07 -1.02 -1.10 116.25 116.67 2x3y h VAL 70 Ca -0.06 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2x3y h VAL 70 Cb 1.24 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 2x3y h VAL 70 CO 0.11 0.78 0.00 -0.24 0.02 0.00 0.00 177.57 178.24 2x3y n SER 71 N -3.81 0.00 -3.54 0.57 2.88 0.32 -4.23 113.62 105.82 2x3y n SER 71 Ca -0.21 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.20 2x3y n SER 71 Cb 0.99 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.40 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 0.22 1.12 -0.01 -1.46 1.70 -1.25 -4.69 118.95 114.58 2x3y s ARG 72 Ca 0.00 -0.39 -0.01 0.00 -0.47 0.00 0.00 55.73 54.86 2x3y s ARG 72 Cb 0.00 0.51 -0.00 0.00 -0.57 0.00 0.00 34.95 34.89 2x3y s ARG 72 CO 0.00 -0.44 -0.02 0.34 -1.08 0.00 0.00 175.30 174.10 2x3y n PHE 73 N 0.05 0.00 -0.02 5.89 -0.00 -1.22 -4.59 117.46 117.57 2x3y n PHE 73 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.29 2x3y n PHE 73 Cb 0.62 -0.03 -0.07 0.00 -0.00 0.00 0.00 39.48 40.00 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 -2.65 2.15 -3.35 3.13 0.00 -1.26 -5.07 120.51 113.46 2x3y n ALA 74 Ca -0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 2x3y n ALA 74 Cb 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.48 -0.12 0.13 0.00 -0.12 -1.26 -5.14 117.98 108.99 2x3y s PHE 75 Ca -0.04 -0.23 -0.31 0.00 -0.05 0.00 0.00 56.93 56.31 2x3y s PHE 75 Cb 0.05 0.42 -0.08 0.00 -0.63 0.00 0.00 43.02 42.77 2x3y s PHE 75 CO 0.36 -0.94 1.36 -0.51 -0.05 0.00 0.00 175.22 175.44 2x3y s ASP 76 N -2.88 6.86 0.20 1.98 1.11 -1.26 -4.88 116.67 117.80 2x3y s ASP 76 Ca 0.10 2.32 -0.22 0.00 0.18 0.00 0.00 52.55 54.93 2x3y s ASP 76 Cb -0.01 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.46 2x3y s ASP 76 CO -0.02 -0.61 1.01 0.00 1.18 0.00 0.00 175.17 176.73 2x3y s ARG 77 N 0.86 1.40 0.83 8.23 1.04 -1.26 -5.15 118.95 124.89 2x3y s ARG 77 Ca 0.62 -0.90 -0.10 0.00 -1.04 0.00 0.00 55.73 54.31 2x3y s ARG 77 Cb -0.36 0.39 0.09 0.00 -2.04 0.00 0.00 34.95 33.03 2x3y s ARG 77 CO 0.32 -0.66 1.11 -2.14 -0.04 0.00 0.00 175.30 173.89 2x3y s PRO 78 N -2.21 1.79 0.45 3.89 0.02 -1.26 -4.98 135.00 132.70 2x3y s PRO 78 Ca 0.21 1.26 -0.23 0.00 0.02 0.00 0.00 61.00 62.26 2x3y s PRO 78 Cb -0.03 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 2x3y s PRO 78 CO 0.06 -2.00 1.20 0.20 -0.33 0.00 0.00 177.00 176.12 2x3y s GLY 79 N -3.17 2.81 0.11 0.52 0.00 -1.26 -4.99 107.32 101.35 2x3y s GLY 79 Ca 0.63 1.00 0.04 0.00 0.00 0.00 0.00 44.72 46.39 2x3y s GLY 79 CO 0.57 1.49 0.10 1.08 0.00 0.00 0.00 173.10 176.33 2x3y s LEU 80 N -2.95 3.79 -0.95 0.66 1.43 -0.42 -4.99 118.68 115.25 2x3y s LEU 80 Ca 0.63 -0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 53.43 2x3y s LEU 80 Cb -0.31 -2.45 0.06 0.00 0.03 0.00 0.00 46.19 43.52 2x3y s LEU 80 CO 0.38 0.13 1.36 -2.84 0.23 0.00 0.00 176.35 175.61 2x3y s PRO 81 N -2.68 3.52 0.01 1.29 0.02 -1.26 -3.95 135.00 131.94 2x3y s PRO 81 Ca 0.30 -1.07 0.03 0.00 0.02 0.00 0.00 61.00 60.28 2x3y s PRO 81 Cb -0.11 -5.09 -0.01 0.00 0.02 0.00 0.00 34.50 29.31 2x3y s PRO 81 CO 0.22 -2.13 -0.09 0.00 -0.33 0.00 0.00 177.00 174.68 2x3y s ALA 82 N 4.75 0.73 -0.07 -1.55 0.00 -1.26 -1.62 121.76 122.74 2x3y s ALA 82 Ca 0.42 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2x3y s ALA 82 Cb -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.97 2x3y s ALA 82 CO -0.06 0.15 -0.01 0.08 0.00 0.00 0.00 175.76 175.92 2x3y s VAL 83 N -0.41 0.49 -0.05 0.00 1.01 0.71 -4.87 120.40 117.27 2x3y s VAL 83 Ca 0.01 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2x3y s VAL 83 Cb -0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2x3y s VAL 83 CO -0.00 0.27 0.96 0.00 0.00 0.00 0.00 175.10 176.33 2x3y s ALA 84 N 1.83 3.28 -0.74 5.51 0.00 -1.26 -1.11 121.76 129.26 2x3y s ALA 84 Ca 0.03 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.48 2x3y s ALA 84 Cb -0.12 -3.34 0.37 0.00 0.00 0.00 0.00 23.12 20.03 2x3y s ALA 84 CO -0.05 -0.38 1.08 1.28 0.00 0.00 0.00 175.76 177.69 2x3y n LEU 85 N 4.36 3.08 -0.14 0.00 4.77 0.11 -4.02 117.00 125.15 2x3y n LEU 85 Ca 0.06 -1.56 0.02 0.00 -0.03 0.00 0.00 56.01 54.51 2x3y n LEU 85 Cb 0.50 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2x3y n LEU 85 CO 0.51 0.42 0.54 0.35 -1.33 0.00 0.00 177.39 177.88 2x3y n THR 86 N 0.30 1.14 -0.10 -5.08 -2.24 -1.26 -4.77 114.28 102.26 2x3y n THR 86 Ca 0.13 -1.17 -0.14 0.00 -2.27 0.00 0.00 64.05 60.60 2x3y n THR 86 Cb 0.66 0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.44 1.21 -2.62 4.28 -2.24 -1.26 -4.92 114.28 108.30 2x3y n THR 87 Ca 0.04 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 2x3y n THR 87 Cb 0.34 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 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 -5.88 6.37 0.36 3.42 -1.08 -1.26 -4.89 116.67 113.71 2x3y s ASP 88 Ca -0.25 -0.09 0.26 0.00 -0.52 0.00 0.00 52.55 51.95 2x3y s ASP 88 Cb 0.07 -2.54 0.83 0.00 -1.46 0.00 0.00 42.92 39.82 2x3y s ASP 88 CO 0.53 -1.52 1.76 0.71 0.52 0.00 0.00 175.17 177.17 2x3y h THR 89 N 6.11 0.00 -0.13 1.71 1.35 -1.99 -0.52 112.91 119.44 2x3y h THR 89 Ca -0.26 -0.59 -0.16 0.00 -0.55 0.00 0.00 66.41 64.85 2x3y h THR 89 Cb 1.06 1.54 0.01 0.00 -1.73 0.00 0.00 68.15 69.02 2x3y h THR 89 CO 1.19 0.00 -0.55 0.28 -0.25 0.00 0.00 175.52 176.20 2x3y h SER 90 N 0.00 0.71 -0.02 5.36 0.02 -1.98 -2.14 113.55 115.50 2x3y h SER 90 Ca 0.00 -0.62 -0.00 0.00 -0.84 0.00 0.00 61.79 60.33 2x3y h SER 90 Cb 0.69 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 2x3y h SER 90 CO 0.00 1.21 0.01 0.40 -1.14 0.00 0.00 176.83 177.31 2x3y h ILE 91 N 0.26 1.16 0.13 3.27 2.04 -1.86 -0.57 117.51 121.92 2x3y h ILE 91 Ca -0.03 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2x3y h ILE 91 Cb 1.18 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2x3y h ILE 91 CO 0.11 0.13 -0.09 -0.07 0.00 0.00 0.00 178.15 178.23 2x3y h LEU 92 N -0.15 -0.22 -0.88 1.44 3.38 -1.15 -0.79 115.31 116.93 2x3y h LEU 92 Ca 0.01 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2x3y h LEU 92 Cb 0.20 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2x3y h LEU 92 CO -0.00 -0.14 -0.37 0.71 0.09 0.00 0.00 178.44 178.73 2x3y h THR 93 N -0.22 0.85 -0.11 0.22 1.35 -1.43 -1.11 112.91 112.47 2x3y h THR 93 Ca -0.01 -1.54 -0.04 0.00 -0.55 0.00 0.00 66.41 64.28 2x3y h THR 93 Cb 0.19 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2x3y h THR 93 CO 0.00 0.36 -0.09 0.00 -0.25 0.00 0.00 175.52 175.55 2x3y h ALA 94 N 1.63 0.16 -0.38 6.62 0.00 -0.81 -2.58 119.26 123.90 2x3y h ALA 94 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2x3y h ALA 94 Cb 0.92 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2x3y h ALA 94 CO 0.05 -0.02 0.08 0.82 0.00 0.00 0.00 179.25 180.18 2x3y h ILE 95 N -0.14 1.18 0.07 0.00 2.04 -1.06 0.22 117.51 119.81 2x3y h ILE 95 Ca 0.02 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.25 2x3y h ILE 95 Cb 0.59 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2x3y h ILE 95 CO 0.02 0.23 -0.40 1.23 0.00 0.00 0.00 178.15 179.24 2x3y h GLY 96 N 0.79 -1.19 0.88 5.37 0.00 -1.11 -1.26 103.07 106.54 2x3y h GLY 96 Ca 0.13 0.63 -0.05 0.00 0.00 0.00 0.00 47.33 48.03 2x3y h GLY 96 CO -0.00 -0.32 -0.02 3.43 0.00 0.00 0.00 176.54 179.63 2x3y h ASN 97 N -0.55 0.51 0.07 0.19 4.21 -1.16 -1.97 115.58 116.89 2x3y h ASN 97 Ca -0.00 -0.33 -0.21 0.00 1.21 0.00 0.00 56.30 56.98 2x3y h ASN 97 Cb 0.56 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 2x3y h ASN 97 CO -0.23 0.72 -0.77 0.44 -1.29 0.00 0.00 177.43 176.29 2x3y h ASP 98 N 0.30 0.70 0.00 5.81 3.32 -0.60 -3.39 116.42 122.57 2x3y h ASP 98 Ca 0.08 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2x3y h ASP 98 Cb 0.46 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2x3y h ASP 98 CO 0.02 1.24 0.00 -1.22 -1.72 0.00 0.00 179.24 177.56 2x3y n TYR 99 N -3.88 0.00 0.00 4.55 4.01 -0.58 -5.06 117.16 116.21 2x3y n TYR 99 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2x3y n TYR 99 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 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 0.20 1.98 0.33 2.72 0.00 -0.60 -4.66 105.19 105.15 2x3y n GLY 100 Ca 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 0.16 0.00 1.61 3.20 -1.78 -1.65 116.97 118.51 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 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2x3y h TYR 101 CO 0.00 0.08 0.00 -1.91 -1.64 0.00 0.00 178.16 174.69 2x3y n GLU 102 N -4.46 0.09 0.00 1.82 2.13 -1.26 -2.17 120.64 116.79 2x3y n GLU 102 Ca 0.05 0.40 0.12 0.00 0.66 0.00 0.00 57.16 58.38 2x3y n GLU 102 Cb 0.33 -1.69 0.14 0.00 0.27 0.00 0.00 31.44 30.48 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 0.40 -0.21 5.31 4.76 -0.62 -4.43 118.16 121.51 2x3y n LYS 103 Ca 0.02 -0.29 0.04 0.00 -2.87 0.00 0.00 58.31 55.21 2x3y n LYS 103 Cb 0.15 -1.49 0.09 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.05 -0.20 -0.08 -0.35 4.77 -0.92 -1.09 117.00 118.09 2x3y n LEU 104 Ca 0.07 0.99 -0.10 0.00 -0.03 0.00 0.00 56.01 56.95 2x3y n LEU 104 Cb 0.36 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2x3y n LEU 104 CO 0.34 -0.96 -0.99 0.49 -1.33 0.00 0.00 177.39 174.94 2x3y n PHE 105 N -4.93 0.00 -0.20 -1.77 0.99 -1.26 -4.18 117.46 106.10 2x3y n PHE 105 Ca 0.10 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.67 2x3y n PHE 105 Cb 0.30 -0.63 0.44 0.00 -1.00 0.00 0.00 39.48 38.59 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 -0.09 4.37 4.64 -1.67 -0.72 113.55 120.60 2x3y h SER 106 Ca -0.36 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 60.85 2x3y h SER 106 Cb 1.63 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.65 2x3y h SER 106 CO -0.03 0.28 -0.50 -0.09 -0.87 0.00 0.00 176.83 175.61 2x3y h ARG 107 N 0.56 0.51 -0.98 4.77 2.43 -1.32 -1.74 114.38 118.61 2x3y h ARG 107 Ca 0.39 -0.42 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2x3y h ARG 107 Cb 0.72 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.30 2x3y h ARG 107 CO -0.15 1.05 0.64 1.96 -1.51 0.00 0.00 179.97 181.96 2x3y h GLN 108 N 0.10 1.17 -0.46 0.20 4.20 -1.64 -1.85 115.11 116.83 2x3y h GLN 108 Ca -0.04 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2x3y h GLN 108 Cb 1.15 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 2x3y h GLN 108 CO 0.10 0.78 0.17 0.28 -0.67 0.00 0.00 178.83 179.49 2x3y h VAL 109 N 1.21 1.21 -0.65 -0.54 2.07 -1.06 0.51 116.25 118.99 2x3y h VAL 109 Ca 0.40 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2x3y h VAL 109 Cb 0.06 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2x3y h VAL 109 CO -0.14 0.25 0.38 -0.61 0.02 0.00 0.00 177.57 177.46 2x3y h GLN 110 N 0.60 0.88 0.03 1.57 -0.00 -0.95 0.24 115.11 117.48 2x3y h GLN 110 Ca 0.15 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 58.72 2x3y h GLN 110 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.51 2x3y h GLN 110 CO -0.01 0.63 -0.02 0.00 0.00 0.00 0.00 178.83 179.43 2x3y h ALA 111 N 1.52 -0.04 0.00 3.38 0.00 -1.01 -3.39 119.26 119.71 2x3y h ALA 111 Ca 0.23 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 2x3y h ALA 111 Cb -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2x3y h ALA 111 CO -0.04 -0.14 -2.05 1.28 0.00 0.00 0.00 179.25 178.30 2x3y n LEU 112 N -4.75 0.39 -4.77 0.00 4.77 0.14 -4.97 117.00 107.81 2x3y n LEU 112 Ca -0.09 0.18 -0.39 0.00 -0.03 0.00 0.00 56.01 55.69 2x3y n LEU 112 Cb 0.34 0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 2x3y n LEU 112 CO 0.30 0.42 0.91 -0.83 -1.33 0.00 0.00 177.39 176.86 2x3y s GLY 113 N -5.26 2.90 0.08 -0.72 0.00 0.84 -5.05 107.32 100.11 2x3y s GLY 113 Ca -0.07 1.12 0.06 0.00 0.00 0.00 0.00 44.72 45.82 2x3y s GLY 113 CO 0.83 1.67 -0.15 -1.31 0.00 0.00 0.00 173.10 174.14 2x3y s ASN 114 N -0.91 1.85 0.15 1.64 0.01 -1.26 -4.91 114.94 111.50 2x3y s ASN 114 Ca 0.57 -0.65 -0.33 0.00 -0.71 0.00 0.00 52.86 51.74 2x3y s ASN 114 Cb -0.35 -0.07 -0.17 0.00 0.41 0.00 0.00 41.25 41.08 2x3y s ASN 114 CO 0.44 -0.06 1.05 1.21 -1.51 0.00 0.00 177.10 178.23 2x3y n GLU 115 N 1.18 0.79 0.00 -0.60 2.13 -1.22 -1.04 120.64 121.88 2x3y n GLU 115 Ca -0.20 0.28 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2x3y n GLU 115 Cb 0.54 -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 1.91 2.95 3.56 8.31 0.00 -0.86 -4.97 105.19 116.09 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 -1.24 1.25 -0.03 1.61 1.01 -0.20 -4.63 116.67 114.44 2x3y s ASP 117 Ca 0.00 1.03 0.07 0.00 0.71 0.00 0.00 52.55 54.36 2x3y s ASP 117 Cb 0.00 -1.56 -0.02 0.00 1.01 0.00 0.00 42.92 42.35 2x3y s ASP 117 CO 0.00 -3.96 -0.24 -0.69 0.21 0.00 0.00 175.17 170.48 2x3y s VAL 118 N -2.79 1.92 -0.19 -1.27 1.01 -0.44 -1.50 120.40 117.14 2x3y s VAL 118 Ca 0.68 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2x3y s VAL 118 Cb -0.17 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2x3y s VAL 118 CO 0.59 0.54 -0.09 -0.22 0.00 0.00 0.00 175.10 175.92 2x3y s LEU 119 N -0.48 2.72 -0.28 3.92 2.96 -0.02 -0.40 118.68 127.09 2x3y s LEU 119 Ca 0.07 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 2x3y s LEU 119 Cb -0.10 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2x3y s LEU 119 CO -0.00 0.03 0.11 -0.63 -1.32 0.00 0.00 176.35 174.53 2x3y s ILE 120 N 1.16 4.37 -0.10 6.68 1.01 0.12 -0.71 121.20 133.73 2x3y s ILE 120 Ca 0.02 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.33 2x3y s ILE 120 Cb -0.14 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 2x3y s ILE 120 CO -0.03 0.18 -0.22 -0.83 0.00 0.00 0.00 174.94 174.04 2x3y s GLY 121 N 1.59 1.37 -0.14 6.18 0.00 0.11 -0.97 107.32 115.46 2x3y s GLY 121 Ca 0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 44.72 43.74 2x3y s GLY 121 CO 0.04 -0.35 0.08 -0.19 0.00 0.00 0.00 173.10 172.68 2x3y s TYR 122 N 0.27 3.35 -0.27 1.90 2.02 0.12 -1.34 117.35 123.41 2x3y s TYR 122 Ca -0.16 0.27 -0.05 0.00 -0.37 0.00 0.00 57.07 56.77 2x3y s TYR 122 Cb -0.17 -1.96 0.14 0.00 -0.40 0.00 0.00 41.96 39.57 2x3y s TYR 122 CO 0.08 0.44 0.52 0.45 -1.57 0.00 0.00 175.55 175.46 2x3y s SER 123 N -0.41 -0.72 0.41 2.29 0.15 -0.81 -4.45 113.70 110.17 2x3y s SER 123 Ca 0.10 0.90 0.20 0.00 0.70 0.00 0.00 55.95 57.85 2x3y s SER 123 Cb -0.12 1.79 0.89 0.00 -1.71 0.00 0.00 66.02 66.87 2x3y s SER 123 CO 0.02 -0.26 1.84 0.71 1.20 0.00 0.00 173.24 176.75 2x3y h THR 124 N 6.08 0.84 0.00 6.45 1.35 -1.93 -3.08 112.91 122.61 2x3y h THR 124 Ca -0.20 -1.21 -0.12 0.00 -0.55 0.00 0.00 66.41 64.33 2x3y h THR 124 Cb 1.14 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 69.27 2x3y h THR 124 CO 0.20 0.29 -1.09 0.77 -0.25 0.00 0.00 175.52 175.45 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 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2x3y h SER 125 CO 0.04 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 2x3y n GLY 126 N 1.31 1.78 0.03 -0.77 0.00 -1.16 -4.67 105.19 101.71 2x3y n GLY 126 Ca -0.05 0.00 0.03 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 4.60 -1.37 1.61 5.02 -1.26 -4.30 118.16 120.45 2x3y n LYS 127 Ca 0.00 -0.11 -0.54 0.00 -2.02 0.00 0.00 58.31 55.65 2x3y n LYS 127 Cb 0.00 -0.79 -0.09 0.00 -0.02 0.00 0.00 35.03 34.12 2x3y n LYS 127 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2x3y n SER 128 N -0.94 1.50 -0.32 4.39 7.64 -1.26 -4.81 113.62 119.82 2x3y n SER 128 Ca 0.01 0.50 0.01 0.00 1.01 0.00 0.00 58.87 60.40 2x3y n SER 128 Cb 0.09 -1.11 0.14 0.00 -1.01 0.00 0.00 64.21 62.32 2x3y n SER 128 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2x3y h PRO 129 N 11.09 0.98 0.00 1.43 0.11 -1.97 -1.46 132.00 142.19 2x3y h PRO 129 Ca -0.19 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 2x3y h PRO 129 Cb 1.36 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2x3y h PRO 129 CO 1.06 0.65 -0.23 -2.95 -0.21 0.00 0.00 178.00 176.32 2x3y h ASN 130 N 1.01 0.00 -0.04 -2.05 7.08 -1.88 -0.88 115.58 118.83 2x3y h ASN 130 Ca 0.38 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.55 2x3y h ASN 130 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.39 2x3y h ASN 130 CO -0.17 0.23 -0.15 0.40 -2.08 0.00 0.00 177.43 175.67 2x3y h ILE 131 N 0.00 1.46 -0.48 6.14 1.08 -1.64 -2.61 117.51 121.46 2x3y h ILE 131 Ca -0.00 -1.58 -0.01 0.00 -0.39 0.00 0.00 64.86 62.88 2x3y h ILE 131 Cb 0.77 2.39 -0.02 0.00 -3.07 0.00 0.00 36.82 36.89 2x3y h ILE 131 CO 0.03 0.43 0.26 -0.07 -0.69 0.00 0.00 178.15 178.11 2x3y h LEU 132 N -0.38 0.61 -1.36 1.44 3.38 -1.07 -1.02 115.31 116.90 2x3y h LEU 132 Ca -0.01 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2x3y h LEU 132 Cb 0.78 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2x3y h LEU 132 CO 0.03 0.53 0.47 0.00 0.09 0.00 0.00 178.44 179.57 2x3y h ALA 133 N 1.10 1.65 -0.68 1.53 0.00 -1.26 -1.24 119.26 120.37 2x3y h ALA 133 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2x3y h ALA 133 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2x3y h ALA 133 CO -0.03 0.25 0.30 0.00 0.00 0.00 0.00 179.25 179.77 2x3y h ALA 134 N 1.60 0.88 -0.74 0.00 0.00 -0.81 -2.31 119.26 117.88 2x3y h ALA 134 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2x3y h ALA 134 Cb 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2x3y h ALA 134 CO -0.09 0.47 0.42 0.74 0.00 0.00 0.00 179.25 180.79 2x3y h PHE 135 N 0.95 0.99 -0.16 0.00 0.04 -0.33 -0.00 116.94 118.42 2x3y h PHE 135 Ca 0.23 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.00 2x3y h PHE 135 Cb 0.16 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 2x3y h PHE 135 CO 0.01 0.68 0.06 0.00 -0.60 0.00 0.00 178.31 178.46 2x3y h ARG 136 N 1.01 0.14 -0.17 1.51 3.08 -1.11 -0.19 114.38 118.66 2x3y h ARG 136 Ca 0.26 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 2x3y h ARG 136 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2x3y h ARG 136 CO -0.05 0.09 0.09 1.49 -1.07 0.00 0.00 179.97 180.52 2x3y h GLU 137 N 0.14 0.24 -0.19 0.04 4.57 -1.21 -2.08 114.58 116.10 2x3y h GLU 137 Ca 0.07 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.27 2x3y h GLU 137 Cb 0.03 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 2x3y h GLU 137 CO -0.07 0.26 -0.29 0.00 -1.18 0.00 0.00 179.01 177.73 2x3y h ALA 138 N 0.97 -0.27 -0.89 2.92 0.00 -0.73 -1.66 119.26 119.60 2x3y h ALA 138 Ca 0.06 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2x3y h ALA 138 Cb 0.09 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2x3y h ALA 138 CO -0.01 -0.74 0.59 -0.22 0.00 0.00 0.00 179.25 178.86 2x3y h LYS 139 N -0.33 1.18 0.00 0.00 3.64 -0.92 -1.32 116.57 118.82 2x3y h LYS 139 Ca 0.12 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2x3y h LYS 139 Cb 0.51 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2x3y h LYS 139 CO -0.37 0.79 -0.11 0.00 -2.27 0.00 0.00 179.45 177.48 2x3y h ALA 140 N 1.43 1.06 -0.01 5.00 0.00 -0.65 -1.52 119.26 124.57 2x3y h ALA 140 Ca 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2x3y h ALA 140 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2x3y h ALA 140 CO -0.07 0.14 -0.03 1.63 0.00 0.00 0.00 179.25 180.93 2x3y n LYS 141 N -3.31 1.52 -1.44 0.00 5.02 -0.66 -4.92 118.16 114.37 2x3y n LYS 141 Ca -0.00 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 2x3y n LYS 141 Cb 0.33 -1.48 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 1.18 0.53 3.91 0.72 0.00 -0.57 -3.46 105.19 107.50 2x3y n GLY 142 Ca 0.18 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.95 3.59 0.17 1.61 -1.94 -0.59 -2.04 119.30 117.15 2x3y s MET 143 Ca 0.00 -0.16 -0.29 0.00 -1.71 0.00 0.00 55.69 53.54 2x3y s MET 143 Cb 0.00 -2.81 -0.08 0.00 2.01 0.00 0.00 34.83 33.95 2x3y s MET 143 CO 0.00 0.40 0.90 0.99 -0.01 0.00 0.00 175.02 177.31 2x3y s THR 144 N -1.80 4.30 -0.27 2.05 2.01 -0.56 -4.18 115.64 117.19 2x3y s THR 144 Ca 0.41 1.98 -0.06 0.00 0.31 0.00 0.00 61.69 64.32 2x3y s THR 144 Cb -0.11 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.12 2x3y s THR 144 CO 0.27 0.44 0.05 0.00 -0.69 0.00 0.00 174.62 174.69 2x3y s VAL 146 N 1.52 2.94 0.05 0.00 1.01 0.11 -0.29 120.40 125.75 2x3y s VAL 146 Ca 0.04 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.40 2x3y s VAL 146 Cb -0.16 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2x3y s VAL 146 CO 0.01 0.51 -0.16 -0.83 0.00 0.00 0.00 175.10 174.63 2x3y s GLY 147 N 0.61 1.61 -0.18 4.51 0.00 -0.22 -0.71 107.32 112.95 2x3y s GLY 147 Ca -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.46 2x3y s GLY 147 CO 0.03 -1.09 -0.15 -1.36 0.00 0.00 0.00 173.10 170.53 2x3y s PHE 148 N -0.97 2.48 0.10 1.90 0.08 -0.45 -1.34 117.98 119.78 2x3y s PHE 148 Ca 0.16 -1.51 0.01 0.00 0.12 0.00 0.00 56.93 55.70 2x3y s PHE 148 Cb -0.11 -1.72 -0.00 0.00 -0.57 0.00 0.00 43.02 40.62 2x3y s PHE 148 CO 0.06 -0.74 0.11 -2.37 -0.10 0.00 0.00 175.22 172.18 2x3y n THR 149 N 4.68 0.00 -0.60 0.64 5.66 0.17 -1.93 114.28 122.90 2x3y n THR 149 Ca -0.17 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.21 2x3y n THR 149 Cb 0.49 0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 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 -0.17 1.44 1.32 1.09 0.00 -1.25 -1.51 105.19 106.12 2x3y n GLY 150 Ca 0.01 -1.73 0.08 0.00 0.00 0.00 0.00 46.02 44.38 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 3.88 -0.05 1.61 0.23 0.24 -3.85 115.26 117.32 2x3y n ASN 151 Ca 0.00 -2.32 -0.05 0.00 -0.53 0.00 0.00 54.58 51.69 2x3y n ASN 151 Cb 0.00 -0.51 -0.09 0.00 -2.08 0.00 0.00 39.78 37.10 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 0.93 1.89 0.00 -3.83 1.74 -1.26 -5.00 116.66 111.14 2x3y n ARG 152 Ca 0.21 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2x3y n ARG 152 Cb 0.72 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 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 2.22 0.25 6.52 -0.13 0.00 -1.26 -4.91 105.19 107.88 2x3y n GLY 153 Ca -0.18 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.38 0.25 -0.02 0.00 -1.26 -4.01 105.19 100.54 2x3y n GLY 154 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.31 2x3y n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x3y h GLU 155 N 0.00 0.25 -1.00 1.61 5.08 -1.91 -3.09 114.58 115.52 2x3y h GLU 155 Ca 0.00 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.50 2x3y h GLU 155 Cb 0.00 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.11 2x3y h GLU 155 CO 0.00 0.33 0.61 0.52 -1.00 0.00 0.00 179.01 179.47 2x3y h MET 156 N 0.24 0.74 -0.51 2.33 2.86 -1.79 0.32 114.93 119.12 2x3y h MET 156 Ca 0.05 -0.04 0.15 0.00 -2.06 0.00 0.00 59.70 57.80 2x3y h MET 156 Cb 0.26 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2x3y h MET 156 CO 0.01 0.49 0.39 -0.09 1.06 0.00 0.00 176.91 178.77 2x3y h ARG 157 N 0.76 0.00 0.00 1.72 9.65 -1.82 0.40 114.38 125.09 2x3y h ARG 157 Ca 0.56 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 59.36 2x3y h ARG 157 Cb 0.88 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 2x3y h ARG 157 CO -0.35 0.00 -1.34 0.39 2.80 0.00 0.00 179.97 181.47 2x3y n GLU 158 N -4.26 0.62 -0.06 0.20 1.02 0.07 -4.33 120.64 113.90 2x3y n GLU 158 Ca 0.09 0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 2x3y n GLU 158 Cb 0.61 -1.77 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 2x3y n GLU 158 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2x3y n LEU 159 N -2.72 1.20 -4.83 -4.62 4.77 -0.12 -4.95 117.00 105.74 2x3y n LEU 159 Ca -0.06 0.16 -0.37 0.00 -0.03 0.00 0.00 56.01 55.71 2x3y n LEU 159 Cb 0.69 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 2x3y n LEU 159 CO 0.42 0.59 0.25 0.00 -1.33 0.00 0.00 177.39 177.32 2x3y h ASP 161 N 4.14 0.00 -3.61 0.00 3.32 -0.97 -3.45 116.42 115.85 2x3y h ASP 161 Ca -0.49 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.30 2x3y h ASP 161 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 2x3y h ASP 161 CO 0.64 0.69 -0.69 -0.76 -1.72 0.00 0.00 179.24 177.39 2x3y s LEU 162 N -7.18 1.40 -0.05 1.55 1.43 -0.93 -5.04 118.68 109.87 2x3y s LEU 162 Ca -0.00 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2x3y s LEU 162 Cb 0.11 0.06 0.03 0.00 0.03 0.00 0.00 46.19 46.42 2x3y s LEU 162 CO 0.77 -0.08 -0.00 -0.22 0.23 0.00 0.00 176.35 177.05 2x3y s LEU 163 N 0.61 0.84 -0.22 1.79 2.96 -1.26 -1.05 118.68 122.34 2x3y s LEU 163 Ca -0.05 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.72 2x3y s LEU 163 Cb -0.07 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 2x3y s LEU 163 CO -0.02 -0.15 0.07 -0.76 -1.32 0.00 0.00 176.35 174.18 2x3y s LEU 164 N 1.55 3.60 -0.32 -0.68 1.43 -0.45 -4.98 118.68 118.83 2x3y s LEU 164 Ca -0.02 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2x3y s LEU 164 Cb -0.13 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.23 2x3y s LEU 164 CO -0.03 0.04 0.02 -1.61 0.23 0.00 0.00 176.35 175.00 2x3y s GLU 165 N 1.15 1.93 0.11 1.70 2.02 -1.26 -0.66 118.70 123.68 2x3y s GLU 165 Ca 0.05 -1.62 -0.31 0.00 0.02 0.00 0.00 54.97 53.11 2x3y s GLU 165 Cb -0.14 -3.17 -0.08 0.00 0.10 0.00 0.00 34.13 30.84 2x3y s GLU 165 CO 0.03 -0.80 1.50 0.08 0.02 0.00 0.00 175.26 176.09 2x3y s VAL 166 N 1.05 3.10 -1.01 2.63 1.01 -0.57 -4.85 120.40 121.77 2x3y s VAL 166 Ca 0.02 0.72 -0.09 0.00 0.00 0.00 0.00 61.98 62.64 2x3y s VAL 166 Cb -0.20 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 2x3y s VAL 166 CO -0.05 0.04 2.20 -0.81 0.00 0.00 0.00 175.10 176.47 2x3y n PRO 167 N 4.47 2.24 -3.88 2.72 -0.04 -1.26 -2.31 135.00 136.95 2x3y n PRO 167 Ca 0.13 -1.65 -0.09 0.00 -0.04 0.00 0.00 63.50 61.85 2x3y n PRO 167 Cb 0.41 -2.59 -0.05 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.46 -0.11 0.00 3.54 0.15 -1.26 -4.91 113.70 114.57 2x3y s SER 168 Ca 0.46 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2x3y s SER 168 Cb 0.12 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2x3y s SER 168 CO -0.02 -1.01 0.11 0.00 1.20 0.00 0.00 173.24 173.52 2x3y n ALA 169 N -0.30 1.98 -2.58 5.45 0.00 -1.26 -0.59 120.51 123.21 2x3y n ALA 169 Ca -0.07 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 2x3y n ALA 169 Cb 0.62 0.00 -0.08 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 -0.71 6.32 0.26 0.00 2.15 -1.26 -4.99 116.67 118.44 2x3y s ASP 170 Ca 0.00 0.14 -0.01 0.00 0.43 0.00 0.00 52.55 53.11 2x3y s ASP 170 Cb 0.00 -2.25 0.56 0.00 -0.30 0.00 0.00 42.92 40.93 2x3y s ASP 170 CO 0.00 -0.37 1.72 0.00 -0.17 0.00 0.00 175.17 176.35 2x3y h THR 171 N 5.51 0.59 -0.35 1.71 1.03 -1.94 -0.34 112.91 119.11 2x3y h THR 171 Ca -0.29 -0.15 0.05 0.00 -0.01 0.00 0.00 66.41 66.01 2x3y h THR 171 Cb 1.14 0.11 -0.05 0.00 -1.07 0.00 0.00 68.15 68.28 2x3y h THR 171 CO 0.73 0.08 0.08 -0.65 -0.01 0.00 0.00 175.52 175.75 2x3y h PRO 172 N 0.44 0.20 -0.39 0.00 0.11 -2.00 -1.21 132.00 129.16 2x3y h PRO 172 Ca 0.47 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.47 2x3y h PRO 172 Cb 0.79 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 2x3y h PRO 172 CO -0.45 0.13 -0.16 0.87 -0.21 0.00 0.00 178.00 178.18 2x3y h LYS 173 N 0.21 0.73 -0.66 1.05 1.79 -1.54 -1.32 116.57 116.83 2x3y h LYS 173 Ca 0.17 -0.26 -0.08 0.00 -2.18 0.00 0.00 60.65 58.30 2x3y h LYS 173 Cb 0.18 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 2x3y h LYS 173 CO -0.21 0.85 0.09 0.82 -1.08 0.00 0.00 179.45 179.92 2x3y h ILE 174 N 0.65 1.26 -0.18 1.86 2.04 -1.01 -2.02 117.51 120.12 2x3y h ILE 174 Ca 0.10 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2x3y h ILE 174 Cb 0.64 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2x3y h ILE 174 CO 0.04 0.39 0.01 1.56 0.00 0.00 0.00 178.15 180.16 2x3y h GLN 175 N 1.02 0.31 -0.84 2.37 4.20 -0.71 -1.43 115.11 120.04 2x3y h GLN 175 Ca 0.20 -0.09 0.19 0.00 0.06 0.00 0.00 58.65 59.01 2x3y h GLN 175 Cb 0.45 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.09 2x3y h GLN 175 CO 0.01 0.50 0.34 0.93 -0.67 0.00 0.00 178.83 179.95 2x3y h GLU 176 N 0.09 0.39 -0.75 1.46 5.08 -1.19 -0.38 114.58 119.28 2x3y h GLU 176 Ca 0.05 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2x3y h GLU 176 Cb 0.35 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2x3y h GLU 176 CO 0.01 0.26 0.35 0.78 -1.00 0.00 0.00 179.01 179.41 2x3y h GLY 177 N 0.40 1.17 1.00 -3.84 0.00 -0.89 -2.59 103.07 98.32 2x3y h GLY 177 Ca 0.50 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2x3y h GLY 177 CO -0.49 0.56 0.34 0.45 0.00 0.00 0.00 176.54 177.40 2x3y h HIS 178 N 1.06 0.91 -0.38 5.60 3.86 -0.02 -0.87 115.15 125.31 2x3y h HIS 178 Ca 0.26 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2x3y h HIS 178 Cb 0.13 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 2x3y h HIS 178 CO 0.01 0.67 0.18 1.25 0.86 0.00 0.00 177.93 180.90 2x3y h LEU 179 N 0.90 0.50 -0.16 2.43 5.85 -1.21 0.25 115.31 123.87 2x3y h LEU 179 Ca 0.23 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2x3y h LEU 179 Cb 0.07 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2x3y h LEU 179 CO -0.03 0.49 -0.01 0.58 -0.34 0.00 0.00 178.44 179.13 2x3y h VAL 180 N 0.47 0.88 -0.08 1.05 2.07 -1.06 -1.26 116.25 118.33 2x3y h VAL 180 Ca 0.13 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.51 2x3y h VAL 180 Cb 0.13 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2x3y h VAL 180 CO -0.02 0.01 -0.51 -0.07 0.02 0.00 0.00 177.57 177.00 2x3y h LEU 181 N 0.04 0.24 -0.03 2.57 3.38 -0.95 -2.80 115.31 117.77 2x3y h LEU 181 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2x3y h LEU 181 Cb 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2x3y h LEU 181 CO -0.13 0.71 0.01 1.23 0.09 0.00 0.00 178.44 180.35 2x3y h GLY 182 N 1.37 0.04 -0.40 0.83 0.00 -0.19 -1.71 103.07 103.01 2x3y h GLY 182 Ca 0.01 -0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.42 2x3y h GLY 182 CO 0.08 0.03 -0.30 0.45 0.00 0.00 0.00 176.54 176.80 2x3y h HIS 183 N -0.17 -0.80 -0.55 5.60 3.86 -1.19 -0.67 115.15 121.22 2x3y h HIS 183 Ca 0.01 0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 2x3y h HIS 183 Cb 0.22 0.44 -0.05 0.00 1.06 0.00 0.00 27.41 29.08 2x3y h HIS 183 CO -0.00 -0.36 0.28 0.82 0.86 0.00 0.00 177.93 179.52 2x3y h ILE 184 N -0.13 0.93 -0.79 2.45 2.04 -1.30 0.75 117.51 121.45 2x3y h ILE 184 Ca 0.25 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2x3y h ILE 184 Cb 0.54 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2x3y h ILE 184 CO -0.68 0.10 0.51 0.58 0.00 0.00 0.00 178.15 178.66 2x3y h VAL 185 N 0.52 1.21 0.10 1.67 2.07 -0.59 -1.07 116.25 120.17 2x3y h VAL 185 Ca 0.25 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2x3y h VAL 185 Cb 0.18 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2x3y h VAL 185 CO -0.18 0.21 -0.09 0.00 0.02 0.00 0.00 177.57 177.53 2x3y h GLY 187 N -0.20 0.40 1.01 0.00 0.00 -0.45 0.84 103.07 104.66 2x3y h GLY 187 Ca -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2x3y h GLY 187 CO -0.01 -0.14 0.28 1.41 0.00 0.00 0.00 176.54 178.07 2x3y h LEU 188 N 0.06 0.88 -0.03 3.11 3.38 -0.95 0.20 115.31 121.96 2x3y h LEU 188 Ca 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2x3y h LEU 188 Cb 0.33 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2x3y h LEU 188 CO -0.41 0.79 -0.02 0.58 0.09 0.00 0.00 178.44 179.47 2x3y h VAL 189 N 0.90 1.35 -0.58 1.22 2.07 -0.89 -1.01 116.25 119.32 2x3y h VAL 189 Ca 0.22 -1.08 0.12 0.00 0.82 0.00 0.00 66.70 66.78 2x3y h VAL 189 Cb 0.18 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.87 2x3y h VAL 189 CO -0.02 0.29 -0.02 -0.08 0.02 0.00 0.00 177.57 177.76 2x3y h GLU 190 N -0.37 0.10 -0.16 1.57 4.81 -0.69 -2.05 114.58 117.79 2x3y h GLU 190 Ca 0.01 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2x3y h GLU 190 Cb 0.47 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2x3y h GLU 190 CO 0.01 0.07 -0.35 1.25 -0.73 0.00 0.00 179.01 179.25 2x3y h HIS 191 N 0.10 0.66 -0.85 0.92 2.76 -0.89 -1.32 115.15 116.55 2x3y h HIS 191 Ca 0.30 -0.24 0.05 0.00 -2.20 0.00 0.00 60.37 58.27 2x3y h HIS 191 Cb 0.48 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.26 2x3y h HIS 191 CO -0.37 0.98 0.53 1.03 -1.30 0.00 0.00 177.93 178.80 2x3y h SER 192 N 0.16 0.85 0.31 3.26 0.87 -0.97 0.20 113.55 118.23 2x3y h SER 192 Ca 0.00 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 60.24 2x3y h SER 192 Cb 0.95 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2x3y h SER 192 CO 0.08 0.56 -1.64 0.40 -0.53 0.00 0.00 176.83 175.70 2x3y h ILE 193 N 1.00 1.05 -0.01 2.23 2.04 -1.37 -3.39 117.51 119.05 2x3y h ILE 193 Ca 0.36 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.57 2x3y h ILE 193 Cb 0.10 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 2x3y h ILE 193 CO -0.15 0.83 0.00 0.49 0.00 0.00 0.00 178.15 179.32 2x3y n PHE 194 N -3.53 0.01 0.68 1.37 0.99 -0.50 -5.11 117.46 111.37 2x3y n PHE 194 Ca -0.21 -0.24 0.05 0.00 -0.00 0.00 0.00 57.45 57.06 2x3y n PHE 194 Cb 1.06 -0.02 0.32 0.00 -1.00 0.00 0.00 39.48 39.84 2x3y n PHE 194 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17