#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dee s ASN 32 N 0.00 2.06 0.47 1.96 2.20 -1.26 -4.81 114.94 115.56 3dee s ASN 32 Ca 0.00 0.95 0.16 0.00 -0.94 0.00 0.00 52.86 53.03 3dee s ASN 32 Cb 0.00 -1.45 1.11 0.00 -2.00 0.00 0.00 41.25 38.90 3dee s ASN 32 CO 0.00 -3.45 2.04 1.62 -2.94 0.00 0.00 177.10 174.37 3dee h VAL 33 N -2.12 1.06 -0.21 3.54 3.04 -2.05 -2.25 116.25 117.26 3dee h VAL 33 Ca -0.51 -0.45 -0.10 0.00 -1.01 0.00 0.00 66.70 64.62 3dee h VAL 33 Cb 1.32 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 31.84 3dee h VAL 33 CO 0.50 0.13 -0.27 0.22 -1.01 0.00 0.00 177.57 177.13 3dee h TYR 34 N 0.00 0.68 -0.46 3.17 3.20 -1.99 -1.78 116.97 119.78 3dee h TYR 34 Ca -0.00 -0.22 -0.06 0.00 3.14 0.00 0.00 58.73 61.59 3dee h TYR 34 Cb 0.24 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3dee h TYR 34 CO 0.00 0.93 0.06 0.82 -1.64 0.00 0.00 178.16 178.33 3dee h ILE 35 N 0.23 1.22 -0.34 1.81 1.08 -1.84 -1.22 117.51 118.45 3dee h ILE 35 Ca 0.02 -0.85 -0.16 0.00 -0.39 0.00 0.00 64.86 63.49 3dee h ILE 35 Cb 0.85 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 3dee h ILE 35 CO 0.06 0.30 -0.42 0.03 -0.69 0.00 0.00 178.15 177.44 3dee h ARG 36 N 0.69 0.87 0.12 2.37 3.08 -1.40 -1.88 114.38 118.23 3dee h ARG 36 Ca 0.15 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 3dee h ARG 36 Cb 0.34 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3dee h ARG 36 CO 0.01 1.11 -0.06 1.25 -1.07 0.00 0.00 179.97 181.21 3dee h LEU 37 N 0.70 -0.14 -1.32 3.04 5.85 -0.94 -2.11 115.31 120.39 3dee h LEU 37 Ca 0.05 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 3dee h LEU 37 Cb 1.00 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3dee h LEU 37 CO 0.10 0.01 -0.27 0.16 -0.34 0.00 0.00 178.44 178.10 3dee h ILE 38 N -0.28 1.22 -0.50 4.05 3.07 -1.24 -1.56 117.51 122.26 3dee h ILE 38 Ca -0.02 -1.05 -0.12 0.00 1.55 0.00 0.00 64.86 65.22 3dee h ILE 38 Cb 0.23 1.49 -0.02 0.00 -0.27 0.00 0.00 36.82 38.25 3dee h ILE 38 CO 0.03 0.31 -0.17 0.03 -1.05 0.00 0.00 178.15 177.30 3dee h ARG 39 N 0.10 0.98 -0.32 0.16 3.08 -1.29 -1.01 114.38 116.08 3dee h ARG 39 Ca 0.01 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.60 3dee h ARG 39 Cb 0.54 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3dee h ARG 39 CO 0.04 1.06 -0.12 -0.91 -1.07 0.00 0.00 179.97 178.98 3dee h ASN 40 N 0.86 0.52 0.63 7.04 2.35 -0.84 -2.05 115.58 124.10 3dee h ASN 40 Ca 0.12 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3dee h ASN 40 Cb 0.73 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3dee h ASN 40 CO 0.06 0.68 -0.50 0.78 -1.65 0.00 0.00 177.43 176.79 3dee h ASN 41 N 0.50 0.00 0.06 5.81 4.21 -1.14 -1.87 115.58 123.15 3dee h ASN 41 Ca 0.09 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.60 3dee h ASN 41 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3dee h ASN 41 CO 0.03 0.50 -0.03 0.40 -1.29 0.00 0.00 177.43 177.04 3dee h ILE 42 N 0.00 1.21 -0.12 2.81 2.04 -0.87 -2.19 117.51 120.39 3dee h ILE 42 Ca -0.01 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.93 3dee h ILE 42 Cb 0.96 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 38.82 3dee h ILE 42 CO 0.07 0.24 -0.22 0.45 0.00 0.00 0.00 178.15 178.68 3dee h HIS 43 N -0.52 -0.59 -0.76 1.37 3.86 -1.32 -1.26 115.15 115.93 3dee h HIS 43 Ca -0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3dee h HIS 43 Cb 0.45 0.28 -0.04 0.00 1.06 0.00 0.00 27.41 29.16 3dee h HIS 43 CO 0.07 -0.30 0.50 0.77 0.86 0.00 0.00 177.93 179.82 3dee h SER 44 N -0.29 0.84 -0.11 2.45 0.02 -1.38 -1.05 113.55 114.02 3dee h SER 44 Ca 0.10 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3dee h SER 44 Cb 0.43 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3dee h SER 44 CO -0.28 0.60 -0.25 0.15 -1.14 0.00 0.00 176.83 175.90 3dee h PHE 45 N 0.99 0.47 -0.39 3.45 3.57 -1.10 -2.56 116.94 121.37 3dee h PHE 45 Ca 0.29 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.64 3dee h PHE 45 Cb -0.05 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3dee h PHE 45 CO -0.00 0.87 0.17 0.82 -2.23 0.00 0.00 178.31 177.94 3dee h ILE 46 N -0.06 0.95 -0.88 1.41 2.04 -1.05 -0.24 117.51 119.69 3dee h ILE 46 Ca 0.00 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.82 3dee h ILE 46 Cb 0.85 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 3dee h ILE 46 CO 0.06 0.07 0.57 0.44 0.00 0.00 0.00 178.15 179.28 3dee h ASP 47 N 0.36 0.83 -0.17 1.72 3.32 -1.21 -0.69 116.42 120.58 3dee h ASP 47 Ca 0.17 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.02 3dee h ASP 47 Cb 0.10 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.50 3dee h ASP 47 CO -0.14 0.51 -0.72 0.03 -1.72 0.00 0.00 179.24 177.21 3dee h ARG 48 N 0.93 0.79 -0.01 3.56 3.08 -0.99 -3.27 114.38 118.46 3dee h ARG 48 Ca 0.39 -0.62 -0.20 0.00 0.07 0.00 0.00 59.98 59.62 3dee h ARG 48 Cb 0.30 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3dee h ARG 48 CO -0.15 1.23 -0.87 0.00 -1.07 0.00 0.00 179.97 179.11 3dee n TYR 50 N -3.73 3.37 -0.14 0.00 4.01 -0.29 -4.70 117.16 115.68 3dee n TYR 50 Ca -0.05 -3.03 -0.03 0.00 -0.16 0.00 0.00 57.90 54.64 3dee n TYR 50 Cb 0.79 -0.49 0.18 0.00 -0.31 0.00 0.00 39.34 39.51 3dee n TYR 50 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3dee h THR 51 N 2.48 1.23 0.09 -0.72 1.35 -1.72 -0.86 112.91 114.75 3dee h THR 51 Ca 0.36 -0.81 -0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3dee h THR 51 Cb 0.59 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3dee h THR 51 CO 1.01 0.30 -0.04 -0.33 -0.25 0.00 0.00 175.52 176.21 3dee h GLU 52 N 0.83 -0.11 -0.67 4.72 4.39 -1.92 -3.31 114.58 118.51 3dee h GLU 52 Ca 0.18 0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.03 3dee h GLU 52 Cb 0.28 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.86 3dee h GLU 52 CO -0.00 0.43 0.14 1.15 -1.16 0.00 0.00 179.01 179.56 3dee h THR 53 N -0.85 0.57 -0.98 1.13 2.02 -1.88 -1.00 112.91 111.92 3dee h THR 53 Ca -0.01 -0.09 0.27 0.00 0.77 0.00 0.00 66.41 67.35 3dee h THR 53 Cb 0.59 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 3dee h THR 53 CO 0.02 0.05 0.69 0.08 0.37 0.00 0.00 175.52 176.72 3dee h ARG 54 N 0.25 0.10 0.00 6.66 -0.00 -1.25 0.34 114.38 120.48 3dee h ARG 54 Ca 0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.34 3dee h ARG 54 Cb 0.58 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.53 3dee h ARG 54 CO -0.47 0.07 0.00 1.04 -0.00 0.00 0.00 179.97 180.61 3dee n GLN 55 N -4.33 0.13 -0.01 0.08 6.02 -0.38 -2.49 117.38 116.40 3dee n GLN 55 Ca 0.21 0.33 0.13 0.00 -0.01 0.00 0.00 57.00 57.66 3dee n GLN 55 Cb 0.98 -1.74 0.47 0.00 1.02 0.00 0.00 30.24 30.97 3dee n GLN 55 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3dee n TYR 56 N -1.98 0.04 -4.46 1.08 4.02 0.11 -4.89 117.16 111.06 3dee n TYR 56 Ca 0.03 -0.02 -0.23 0.00 -0.01 0.00 0.00 57.90 57.67 3dee n TYR 56 Cb 0.24 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.46 3dee n TYR 56 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3dee s PHE 57 N -1.96 2.14 0.68 -0.72 0.08 -1.04 -5.11 117.98 112.05 3dee s PHE 57 Ca 0.37 -0.52 -0.10 0.00 0.12 0.00 0.00 56.93 56.80 3dee s PHE 57 Cb 0.20 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.56 3dee s PHE 57 CO 0.32 0.51 1.05 0.34 -0.10 0.00 0.00 175.22 177.34 3dee s ASP 58 N -3.49 5.46 0.11 1.36 2.15 -1.26 -4.87 116.67 116.13 3dee s ASP 58 Ca 0.29 1.01 -0.22 0.00 0.43 0.00 0.00 52.55 54.07 3dee s ASP 58 Cb 0.00 -1.85 -0.08 0.00 -0.30 0.00 0.00 42.92 40.69 3dee s ASP 58 CO 0.13 -1.28 1.71 0.28 -0.17 0.00 0.00 175.17 175.84 3dee h SER 59 N -0.54 -0.19 -0.56 -0.34 0.02 -1.99 -0.49 113.55 109.47 3dee h SER 59 Ca -0.45 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.48 3dee h SER 59 Cb 1.26 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 3dee h SER 59 CO 0.63 -0.08 0.13 0.11 -1.14 0.00 0.00 176.83 176.47 3dee h LYS 60 N -0.07 0.90 -0.36 3.45 6.56 -1.99 -1.31 116.57 123.76 3dee h LYS 60 Ca 0.05 -0.22 -0.02 0.00 -1.06 0.00 0.00 60.65 59.40 3dee h LYS 60 Cb 0.15 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 3dee h LYS 60 CO -0.12 0.85 0.13 0.93 -2.06 0.00 0.00 179.45 179.17 3dee h GLU 61 N 0.80 0.55 -0.22 3.15 5.08 -1.91 -1.27 114.58 120.76 3dee h GLU 61 Ca 0.17 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3dee h GLU 61 Cb 0.36 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3dee h GLU 61 CO 0.00 0.55 0.08 2.35 -1.00 0.00 0.00 179.01 181.00 3dee h TRP 62 N 0.43 0.35 -0.95 4.33 2.91 -1.00 -2.13 115.95 119.89 3dee h TRP 62 Ca 0.12 -0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.14 3dee h TRP 62 Cb 0.22 -0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 28.71 3dee h TRP 62 CO 0.00 0.40 0.62 0.77 -1.03 0.00 0.00 178.44 179.20 3dee h SER 63 N 0.20 1.03 -0.42 2.65 0.02 -1.18 -2.61 113.55 113.25 3dee h SER 63 Ca 0.07 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3dee h SER 63 Cb 0.20 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3dee h SER 63 CO -0.00 0.71 0.25 0.03 -1.14 0.00 0.00 176.83 176.68 3dee h ARG 64 N 1.20 0.50 -0.41 3.45 3.08 -1.06 0.15 114.38 121.29 3dee h ARG 64 Ca 0.38 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.47 3dee h ARG 64 Cb -0.00 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 29.86 3dee h ARG 64 CO -0.12 0.33 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.03 3dee h LEU 65 N 0.52 -0.19 -0.54 3.04 3.38 -1.11 -1.71 115.31 118.70 3dee h LEU 65 Ca 0.16 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 3dee h LEU 65 Cb -0.01 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3dee h LEU 65 CO -0.06 -0.06 -0.08 0.11 0.09 0.00 0.00 178.44 178.44 3dee h LYS 66 N 0.10 1.01 -0.49 1.13 1.57 -1.14 -1.74 116.57 117.00 3dee h LYS 66 Ca 0.20 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3dee h LYS 66 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3dee h LYS 66 CO -0.35 1.05 0.12 0.93 -0.57 0.00 0.00 179.45 180.62 3dee h GLU 67 N 0.88 0.74 -0.20 3.15 4.39 -0.50 -1.11 114.58 121.94 3dee h GLU 67 Ca 0.14 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3dee h GLU 67 Cb 0.65 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3dee h GLU 67 CO 0.04 0.68 -0.07 0.78 -1.16 0.00 0.00 179.01 179.28 3dee h GLY 68 N 0.92 0.42 0.76 -3.84 0.00 -1.14 -2.88 103.07 97.31 3dee h GLY 68 Ca 0.16 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.16 3dee h GLY 68 CO -0.00 0.33 0.05 -2.75 0.00 0.00 0.00 176.54 174.17 3dee h PHE 69 N 0.10 0.09 -0.17 5.60 3.57 -1.06 -2.21 116.94 122.86 3dee h PHE 69 Ca 0.05 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3dee h PHE 69 Cb 0.53 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3dee h PHE 69 CO 0.06 0.03 0.13 0.28 -2.23 0.00 0.00 178.31 176.58 3dee h VAL 70 N 0.15 0.89 -0.00 1.41 2.07 -1.21 0.11 116.25 119.65 3dee h VAL 70 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3dee h VAL 70 Cb 0.09 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3dee h VAL 70 CO -0.13 0.00 -0.33 0.54 0.02 0.00 0.00 177.57 177.67 3dee n ARG 71 N -4.45 0.46 -3.21 1.57 1.74 -1.05 -4.84 116.66 106.88 3dee n ARG 71 Ca 0.01 -0.25 -0.30 0.00 -0.77 0.00 0.00 57.85 56.54 3dee n ARG 71 Cb 0.26 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 3dee n ARG 71 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3dee s ASP 72 N -2.72 6.50 0.56 0.55 2.15 0.38 -5.00 116.67 119.10 3dee s ASP 72 Ca 0.19 0.87 0.24 0.00 0.43 0.00 0.00 52.55 54.28 3dee s ASP 72 Cb 0.19 -2.21 1.54 0.00 -0.30 0.00 0.00 42.92 42.14 3dee s ASP 72 CO 0.59 -0.23 2.15 0.00 -0.17 0.00 0.00 175.17 177.50 3dee h ALA 73 N 1.70 1.88 0.00 3.66 0.00 -1.91 -2.39 119.26 122.20 3dee h ALA 73 Ca -0.47 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3dee h ALA 73 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3dee h ALA 73 CO 0.66 -0.16 -0.31 0.00 0.00 0.00 0.00 179.25 179.44 3dee h ARG 74 N 0.00 0.00 -0.10 0.00 3.08 -1.94 -2.79 114.38 112.63 3dee h ARG 74 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3dee h ARG 74 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3dee h ARG 74 CO -0.00 0.31 0.00 0.00 -1.07 0.00 0.00 179.97 179.21 3dee n ALA 75 N -2.43 2.52 0.50 0.04 0.00 -0.90 -3.55 120.51 116.69 3dee n ALA 75 Ca -0.02 -0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.29 3dee n ALA 75 Cb 0.37 -1.08 0.27 0.00 0.00 0.00 0.00 19.45 19.01 3dee n ALA 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dee n GLN 76 N -0.24 2.22 -1.83 0.00 1.13 -1.05 -4.96 117.38 112.65 3dee n GLN 76 Ca 0.08 -1.87 -0.41 0.00 -1.94 0.00 0.00 57.00 52.86 3dee n GLN 76 Cb 0.12 -1.45 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 3dee n GLN 76 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 3dee s THR 77 N -1.46 2.17 -1.65 5.09 -1.32 -1.23 -4.90 115.64 112.33 3dee s THR 77 Ca 0.36 0.15 0.27 0.00 -1.21 0.00 0.00 61.69 61.27 3dee s THR 77 Cb 0.20 -3.10 0.60 0.00 -1.51 0.00 0.00 72.50 68.69 3dee s THR 77 CO 0.27 0.03 1.96 -0.81 -2.21 0.00 0.00 174.62 173.86 3dee n PRO 78 N 1.63 0.58 -3.66 7.08 -0.04 -1.26 -4.66 135.00 134.67 3dee n PRO 78 Ca 0.05 0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 3dee n PRO 78 Cb 0.38 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 3dee n PRO 78 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dee s TYR 79 N -2.35 3.33 0.51 0.54 2.02 -1.26 -4.97 117.35 115.16 3dee s TYR 79 Ca 0.32 -1.53 0.23 0.00 -0.37 0.00 0.00 57.07 55.72 3dee s TYR 79 Cb 0.19 -2.75 1.32 0.00 -0.40 0.00 0.00 41.96 40.31 3dee s TYR 79 CO 0.38 -0.81 1.98 0.35 -1.57 0.00 0.00 175.55 175.88 3dee h PHE 80 N 8.33 0.11 0.00 2.71 3.57 -2.03 -1.97 116.94 127.66 3dee h PHE 80 Ca -0.22 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 3dee h PHE 80 Cb 1.08 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 3dee h PHE 80 CO 0.60 0.04 -0.14 -0.56 -2.23 0.00 0.00 178.31 176.02 3dee h GLN 81 N 0.10 0.00 -0.00 1.11 3.07 -1.98 -2.61 115.11 114.79 3dee h GLN 81 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.02 3dee h GLN 81 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.53 3dee h GLN 81 CO -0.03 0.14 -0.07 0.39 0.09 0.00 0.00 178.83 179.35 3dee n GLU 82 N -4.00 0.71 0.16 0.06 1.02 -0.74 -4.41 120.64 113.45 3dee n GLU 82 Ca -0.02 -0.19 -0.14 0.00 -0.02 0.00 0.00 57.16 56.79 3dee n GLU 82 Cb 0.23 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 3dee n GLU 82 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3dee h ILE 83 N 0.47 0.76 -0.91 -3.67 1.08 -1.58 -2.08 117.51 111.58 3dee h ILE 83 Ca 0.00 -0.35 0.14 0.00 -0.39 0.00 0.00 64.86 64.26 3dee h ILE 83 Cb 0.31 0.95 -0.09 0.00 -3.07 0.00 0.00 36.82 34.92 3dee h ILE 83 CO 0.00 0.07 0.52 -0.65 -0.69 0.00 0.00 178.15 177.40 3dee h PRO 84 N -0.57 0.75 -0.13 2.37 0.11 -1.82 -0.63 132.00 132.09 3dee h PRO 84 Ca -0.04 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.89 3dee h PRO 84 Cb 0.41 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3dee h PRO 84 CO 0.06 0.50 -0.50 0.78 -0.21 0.00 0.00 178.00 178.63 3dee h GLY 85 N 0.77 0.38 1.59 -0.55 0.00 -1.83 -2.62 103.07 100.81 3dee h GLY 85 Ca 0.48 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 47.22 3dee h GLY 85 CO -0.32 0.37 -0.72 0.83 0.00 0.00 0.00 176.54 176.70 3dee h GLU 86 N 0.27 0.40 -0.62 4.80 4.39 -0.80 -2.55 114.58 120.48 3dee h GLU 86 Ca 0.01 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 3dee h GLU 86 Cb 0.97 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 3dee h GLU 86 CO 0.08 0.96 0.17 0.35 -1.16 0.00 0.00 179.01 179.41 3dee h PHE 87 N 0.28 1.00 -0.53 4.33 3.57 -1.08 -0.18 116.94 124.32 3dee h PHE 87 Ca -0.03 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 3dee h PHE 87 Cb 1.29 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 3dee h PHE 87 CO 0.04 0.81 0.27 1.25 -2.23 0.00 0.00 178.31 178.45 3dee h LEU 88 N 0.93 0.69 -0.83 0.59 5.85 -1.39 -1.06 115.31 120.08 3dee h LEU 88 Ca 0.20 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 3dee h LEU 88 Cb 0.31 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3dee h LEU 88 CO -0.00 0.62 -0.36 1.56 -0.34 0.00 0.00 178.44 179.91 3dee h GLN 89 N 0.72 0.44 -0.06 1.25 4.20 -1.24 -1.10 115.11 119.32 3dee h GLN 89 Ca 0.18 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3dee h GLN 89 Cb 0.10 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3dee h GLN 89 CO -0.02 0.74 0.01 -0.92 -0.67 0.00 0.00 178.83 177.96 3dee h TYR 90 N 0.37 0.01 -0.40 2.96 3.20 -0.75 -2.38 116.97 119.98 3dee h TYR 90 Ca 0.04 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3dee h TYR 90 Cb 0.81 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 3dee h TYR 90 CO 0.03 0.00 0.21 0.00 -1.64 0.00 0.00 178.16 176.76 3dee h GLN 92 N 0.55 0.00 0.00 0.00 4.20 -1.02 0.01 115.11 118.86 3dee h GLN 92 Ca 0.14 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3dee h GLN 92 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3dee h GLN 92 CO -0.02 0.10 -0.99 0.66 -0.67 0.00 0.00 178.83 177.91 3dee h SER 93 N 0.00 0.00 0.01 1.46 4.64 -0.87 -3.40 113.55 115.39 3dee h SER 93 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3dee h SER 93 Cb 0.77 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 3dee h SER 93 CO 0.01 0.11 -0.26 -0.07 -0.87 0.00 0.00 176.83 175.76 3dee h LEU 94 N 0.00 -0.75-10.01 5.97 3.38 -1.38 -3.48 115.31 109.03 3dee h LEU 94 Ca -0.03 0.10 -0.55 0.00 0.09 0.00 0.00 57.88 57.50 3dee h LEU 94 Cb 1.11 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 3dee h LEU 94 CO 0.01 -0.33 -0.48 -2.16 0.09 0.00 0.00 178.44 175.58 3dee s PRO 95 N -6.06 3.37 0.87 1.13 0.04 -1.26 -5.15 135.00 127.94 3dee s PRO 95 Ca -0.15 -0.63 -0.14 0.00 0.04 0.00 0.00 61.00 60.12 3dee s PRO 95 Cb 0.09 -2.92 0.13 0.00 0.04 0.00 0.00 34.50 31.83 3dee s PRO 95 CO 0.66 0.52 1.23 -0.51 0.04 0.00 0.00 177.00 178.94 3dee s LEU 96 N -3.21 2.57 0.98 -3.56 1.43 -0.02 -5.01 118.68 111.86 3dee s LEU 96 Ca 0.34 0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 3dee s LEU 96 Cb -0.11 -2.91 0.15 0.00 0.03 0.00 0.00 46.19 43.36 3dee s LEU 96 CO 0.28 -2.24 0.96 -1.54 0.23 0.00 0.00 176.35 174.05 3dee n SER 97 N -3.50 -0.51 0.11 2.29 3.41 -1.26 -4.77 113.62 109.39 3dee n SER 97 Ca 0.11 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 3dee n SER 97 Cb 0.60 -1.38 0.31 0.00 -0.26 0.00 0.00 64.21 63.49 3dee n SER 97 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dee h ASP 98 N -1.99 0.24 -0.29 4.04 3.32 -1.99 -1.80 116.42 117.94 3dee h ASP 98 Ca -0.47 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.44 3dee h ASP 98 Cb 1.29 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3dee h ASP 98 CO 0.41 0.50 -0.12 1.23 -1.72 0.00 0.00 179.24 179.54 3dee h GLY 99 N 0.96 0.65 1.00 2.75 0.00 -1.92 -1.87 103.07 104.64 3dee h GLY 99 Ca 0.03 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 3dee h GLY 99 CO 0.04 0.52 0.06 -2.22 0.00 0.00 0.00 176.54 174.94 3dee h ILE 100 N 0.35 1.26 -0.67 2.60 1.08 -1.89 -2.19 117.51 118.04 3dee h ILE 100 Ca 0.07 -0.99 -0.03 0.00 -0.39 0.00 0.00 64.86 63.51 3dee h ILE 100 Cb 0.63 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 3dee h ILE 100 CO 0.04 0.35 0.29 -0.07 -0.69 0.00 0.00 178.15 178.08 3dee h LEU 101 N 0.76 0.88 -0.31 1.44 3.38 -1.28 -2.17 115.31 118.01 3dee h LEU 101 Ca 0.15 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3dee h LEU 101 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3dee h LEU 101 CO 0.02 0.77 -0.09 0.00 0.09 0.00 0.00 178.44 179.23 3dee h ALA 102 N 1.36 0.43 0.00 1.53 0.00 -1.31 -1.64 119.26 119.62 3dee h ALA 102 Ca 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dee h ALA 102 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dee h ALA 102 CO -0.02 0.27 0.00 -0.11 0.00 0.00 0.00 179.25 179.38 3dee n LEU 103 N -4.45 0.47 0.00 0.00 7.94 -0.82 -1.26 117.00 118.88 3dee n LEU 103 Ca -0.03 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.64 3dee n LEU 103 Cb 0.33 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.20 3dee n LEU 103 CO 0.41 0.08 0.00 -0.67 -1.11 0.00 0.00 177.39 176.10 3dee n ASP 105 N 0.89 0.00 -0.12 1.96 -0.08 -0.62 -2.12 116.55 116.45 3dee n ASP 105 Ca 0.00 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.23 3dee n ASP 105 Cb 0.08 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.55 3dee n ASP 105 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3dee h PHE 106 N 0.00 -0.35 -0.42 -0.67 3.57 -1.46 0.57 116.94 118.18 3dee h PHE 106 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3dee h PHE 106 Cb 0.00 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3dee h PHE 106 CO 0.00 -0.23 0.19 0.93 -2.23 0.00 0.00 178.31 176.97 3dee h GLU 107 N -0.06 0.61 -0.90 1.11 5.08 -1.69 -1.60 114.58 117.13 3dee h GLU 107 Ca 0.20 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3dee h GLU 107 Cb 0.37 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3dee h GLU 107 CO -0.46 0.54 0.52 -0.92 -1.00 0.00 0.00 179.01 177.70 3dee h TYR 108 N 0.54 1.21 -0.66 4.33 3.20 -1.75 -2.45 116.97 121.40 3dee h TYR 108 Ca 0.14 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3dee h TYR 108 Cb 0.14 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 3dee h TYR 108 CO -0.01 0.82 0.33 1.15 -1.64 0.00 0.00 178.16 178.81 3dee h THR 109 N 1.25 1.21 -0.53 1.81 2.02 -0.33 0.19 112.91 118.52 3dee h THR 109 Ca 0.32 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3dee h THR 109 Cb -0.02 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 3dee h THR 109 CO -0.06 0.24 0.34 1.56 0.37 0.00 0.00 175.52 177.98 3dee h GLN 110 N 0.92 0.70 -0.72 6.66 4.20 -0.83 -1.51 115.11 124.52 3dee h GLN 110 Ca 0.23 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3dee h GLN 110 Cb 0.08 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3dee h GLN 110 CO -0.03 0.47 0.28 1.25 -0.67 0.00 0.00 178.83 180.13 3dee h LEU 111 N 0.71 0.99 -2.00 1.46 5.85 -1.11 0.94 115.31 122.15 3dee h LEU 111 Ca 0.19 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3dee h LEU 111 Cb -0.07 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 3dee h LEU 111 CO -0.04 0.88 0.02 -0.07 -0.34 0.00 0.00 178.44 178.90 3dee h LEU 112 N 1.05 0.00 0.15 2.25 3.38 -0.21 -1.14 115.31 120.79 3dee h LEU 112 Ca 0.24 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.91 3dee h LEU 112 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3dee h LEU 112 CO -0.02 0.00 -1.44 0.00 0.09 0.00 0.00 178.44 177.07 3dee h ALA 113 N 1.98 0.12 -0.81 1.53 0.00 -0.24 -1.66 119.26 120.19 3dee h ALA 113 Ca 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 54.91 53.97 3dee h ALA 113 Cb 0.06 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3dee h ALA 113 CO -0.00 0.99 0.53 1.49 0.00 0.00 0.00 179.25 182.26 3dee h GLU 114 N 0.09 0.98 0.00 0.00 4.57 -0.29 -3.21 114.58 116.72 3dee h GLU 114 Ca -0.22 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 3dee h GLU 114 Cb 2.04 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 30.41 3dee h GLU 114 CO 0.20 0.65 -1.01 0.28 -1.18 0.00 0.00 179.01 177.95 3dee n VAL 115 N -4.45 0.00 -1.87 0.32 0.31 -0.48 -4.99 118.33 107.18 3dee n VAL 115 Ca 0.10 -0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 63.98 3dee n VAL 115 Cb 0.11 0.94 0.01 0.00 -0.91 0.00 0.00 33.84 33.99 3dee n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dee s ALA 116 N -2.92 3.26 -0.25 3.52 0.00 -0.62 -4.96 121.76 119.78 3dee s ALA 116 Ca 0.07 1.41 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 3dee s ALA 116 Cb 0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3dee s ALA 116 CO 0.82 -1.09 0.54 -1.14 0.00 0.00 0.00 175.76 174.90 3dee s GLN 117 N -2.38 4.09 -0.27 0.00 2.00 -1.26 -4.90 119.66 116.94 3dee s GLN 117 Ca 0.60 0.39 -0.06 0.00 -2.00 0.00 0.00 55.36 54.28 3dee s GLN 117 Cb -0.42 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 29.75 3dee s GLN 117 CO 0.55 -0.34 0.04 0.42 -0.50 0.00 0.00 175.29 175.46 3dee s ILE 118 N 2.27 3.80 0.44 -2.34 1.01 -1.26 -4.73 121.20 120.38 3dee s ILE 118 Ca 0.23 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 3dee s ILE 118 Cb -0.16 -2.88 -0.11 0.00 0.01 0.00 0.00 42.46 39.32 3dee s ILE 118 CO 0.09 0.20 0.74 -0.81 0.00 0.00 0.00 174.94 175.16 3dee n PRO 119 N 4.84 0.86 -1.89 2.79 -0.04 -1.26 -4.91 135.00 135.39 3dee n PRO 119 Ca -0.16 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 3dee n PRO 119 Cb 0.49 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.18 3dee n PRO 119 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3dee s ASP 120 N -0.91 6.53 -0.26 3.54 3.84 -1.26 -5.00 116.67 123.15 3dee s ASP 120 Ca 0.64 2.75 -0.03 0.00 -0.00 0.00 0.00 52.55 55.92 3dee s ASP 120 Cb -0.57 -2.62 0.02 0.00 -1.38 0.00 0.00 42.92 38.38 3dee s ASP 120 CO 0.57 -0.83 -0.03 -0.63 -0.00 0.00 0.00 175.17 174.25 3dee s ILE 121 N 0.45 3.12 0.37 2.11 1.09 -1.26 -5.08 121.20 121.99 3dee s ILE 121 Ca 0.65 -0.94 -0.28 0.00 -1.10 0.00 0.00 60.65 58.98 3dee s ILE 121 Cb -0.45 -2.59 -0.11 0.00 -1.06 0.00 0.00 42.46 38.25 3dee s ILE 121 CO 0.40 0.18 1.36 -2.65 -0.10 0.00 0.00 174.94 174.12 3dee n PRO 122 N 4.71 2.29 -2.91 2.79 -0.02 -1.26 -4.88 135.00 135.72 3dee n PRO 122 Ca -0.16 0.80 -0.44 0.00 -2.02 0.00 0.00 63.50 61.69 3dee n PRO 122 Cb 0.47 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3dee n PRO 122 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3dee n ASP 123 N 0.56 5.25 -1.92 2.55 2.03 -1.26 -4.91 116.55 118.84 3dee n ASP 123 Ca 0.04 -3.00 -0.02 0.00 0.52 0.00 0.00 54.79 52.33 3dee n ASP 123 Cb 0.38 -1.55 -0.00 0.00 -0.72 0.00 0.00 41.12 39.23 3dee n ASP 123 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3dee n ILE 124 N 4.30 0.00 -3.11 5.18 -5.35 -1.26 -5.12 119.36 113.99 3dee n ILE 124 Ca 0.36 -0.15 -0.40 0.00 -0.27 0.00 0.00 62.75 62.29 3dee n ILE 124 Cb 0.42 0.04 -0.06 0.00 -1.74 0.00 0.00 39.64 38.30 3dee n ILE 124 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3dee s HIS 125 N -1.35 3.43 -0.24 4.28 5.65 -1.26 -5.04 115.29 120.75 3dee s HIS 125 Ca 0.01 1.00 -0.01 0.00 0.25 0.00 0.00 55.06 56.31 3dee s HIS 125 Cb 0.00 -2.79 0.03 0.00 -1.18 0.00 0.00 32.58 28.65 3dee s HIS 125 CO 0.00 -0.09 -0.09 0.71 -0.65 0.00 0.00 174.74 174.62 3dee s TYR 126 N 1.59 3.07 0.91 3.88 2.02 -1.26 -5.11 117.35 122.45 3dee s TYR 126 Ca 0.30 -1.71 -0.15 0.00 -0.37 0.00 0.00 57.07 55.14 3dee s TYR 126 Cb -0.16 -2.02 0.21 0.00 -0.40 0.00 0.00 41.96 39.59 3dee s TYR 126 CO 0.12 -0.77 1.15 -1.13 -1.57 0.00 0.00 175.55 173.35 3dee n SER 127 N 4.62 -0.28 -0.07 2.29 3.41 -1.26 -4.89 113.62 117.43 3dee n SER 127 Ca -0.17 -1.37 0.05 0.00 -0.26 0.00 0.00 58.87 57.12 3dee n SER 127 Cb 0.46 -0.91 0.26 0.00 -0.26 0.00 0.00 64.21 63.77 3dee n SER 127 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dee n ASN 128 N -3.93 0.22 0.01 4.04 3.02 -1.26 -1.78 115.26 115.58 3dee n ASN 128 Ca 0.15 -1.74 0.11 0.00 -0.03 0.00 0.00 54.58 53.06 3dee n ASN 128 Cb 0.52 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.59 3dee n ASN 128 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dee n ASP 129 N -0.50 0.55 -4.72 6.41 2.03 -1.26 -1.43 116.55 117.63 3dee n ASP 129 Ca 0.07 -0.37 -0.42 0.00 0.52 0.00 0.00 54.79 54.60 3dee n ASP 129 Cb 0.07 1.19 -0.03 0.00 -0.72 0.00 0.00 41.12 41.62 3dee n ASP 129 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3dee s SER 130 N -3.85 7.35 0.39 1.67 0.01 -0.73 -4.80 113.70 113.74 3dee s SER 130 Ca 0.02 1.78 -0.25 0.00 1.31 0.00 0.00 55.95 58.81 3dee s SER 130 Cb 0.15 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.71 3dee s SER 130 CO 0.85 -0.24 1.12 -0.54 0.41 0.00 0.00 173.24 174.85 3dee s LYS 131 N 0.64 4.12 0.22 12.44 1.02 -1.26 -4.39 119.74 132.53 3dee s LYS 131 Ca 0.51 1.73 0.10 0.00 0.02 0.00 0.00 55.97 58.34 3dee s LYS 131 Cb -0.24 -2.66 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 3dee s LYS 131 CO 0.29 -0.24 -0.20 0.71 -0.92 0.00 0.00 175.35 175.00 3dee s TYR 132 N -1.48 2.09 0.04 3.18 1.51 0.56 -0.98 117.35 122.27 3dee s TYR 132 Ca 0.57 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 3dee s TYR 132 Cb -0.28 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 3dee s TYR 132 CO 0.35 0.53 -0.05 -0.08 -1.11 0.00 0.00 175.55 175.19 3dee s THR 133 N -2.30 0.30 0.65 -0.71 -1.32 -0.44 -1.39 115.64 110.44 3dee s THR 133 Ca 0.24 -1.16 -0.16 0.00 -1.21 0.00 0.00 61.69 59.40 3dee s THR 133 Cb -0.05 -0.64 -0.01 0.00 -1.51 0.00 0.00 72.50 70.29 3dee s THR 133 CO 0.11 -0.56 1.12 -2.84 -2.21 0.00 0.00 174.62 170.24 3dee s PRO 134 N -2.00 2.82 0.42 7.08 0.02 -1.26 -0.25 135.00 141.82 3dee s PRO 134 Ca -0.09 1.45 -0.26 0.00 0.02 0.00 0.00 61.00 62.12 3dee s PRO 134 Cb -0.06 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3dee s PRO 134 CO -0.02 -1.24 1.38 -1.12 -0.33 0.00 0.00 177.00 175.67 3dee s SER 135 N -2.42 6.15 0.16 2.53 0.01 0.43 -4.68 113.70 115.88 3dee s SER 135 Ca 0.68 2.82 0.15 0.00 1.31 0.00 0.00 55.95 60.92 3dee s SER 135 Cb -0.22 -2.65 0.71 0.00 0.21 0.00 0.00 66.02 64.07 3dee s SER 135 CO 0.40 -0.98 1.46 -2.65 0.41 0.00 0.00 173.24 171.88 3dee n PRO 136 N 0.07 0.09 -0.35 12.44 -0.02 -1.26 -1.27 135.00 144.70 3dee n PRO 136 Ca 0.04 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 62.07 3dee n PRO 136 Cb 0.42 -1.73 0.24 0.00 -0.02 0.00 0.00 33.50 32.41 3dee n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dee n ALA 137 N -1.65 2.68 -3.01 3.55 0.00 -1.26 -4.88 120.51 115.94 3dee n ALA 137 Ca 0.01 -0.99 -0.34 0.00 0.00 0.00 0.00 53.44 52.12 3dee n ALA 137 Cb 0.09 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 3dee n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dee s ALA 138 N -1.55 2.93 -0.02 0.00 0.00 -0.40 -3.22 121.76 119.51 3dee s ALA 138 Ca 0.34 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.48 3dee s ALA 138 Cb 0.20 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.80 3dee s ALA 138 CO 0.20 0.16 -0.11 -0.06 0.00 0.00 0.00 175.76 175.95 3dee s PHE 139 N 0.46 1.01 -0.26 0.00 0.40 0.17 -4.87 117.98 114.88 3dee s PHE 139 Ca -0.04 -0.21 -0.10 0.00 -0.60 0.00 0.00 56.93 55.97 3dee s PHE 139 Cb -0.14 -0.67 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 3dee s PHE 139 CO 0.03 -0.05 0.17 0.42 0.70 0.00 0.00 175.22 176.49 3dee s ILE 140 N -0.11 5.22 -0.01 0.64 1.01 -1.26 -0.11 121.20 126.58 3dee s ILE 140 Ca 0.02 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.88 3dee s ILE 140 Cb -0.06 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 3dee s ILE 140 CO -0.00 0.29 -0.24 -0.13 0.00 0.00 0.00 174.94 174.86 3dee s ARG 141 N 1.50 1.92 -0.19 2.79 1.81 -0.17 -5.02 118.95 121.59 3dee s ARG 141 Ca 0.07 -0.88 0.01 0.00 -1.72 0.00 0.00 55.73 53.21 3dee s ARG 141 Cb -0.15 -1.88 0.04 0.00 -0.45 0.00 0.00 34.95 32.51 3dee s ARG 141 CO 0.08 0.51 -0.12 -0.65 -0.68 0.00 0.00 175.30 174.45 3dee s GLN 142 N -0.64 2.14 0.09 3.54 -0.21 -1.26 -1.25 119.66 122.07 3dee s GLN 142 Ca 0.09 -0.81 0.09 0.00 0.02 0.00 0.00 55.36 54.76 3dee s GLN 142 Cb -0.09 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.50 3dee s GLN 142 CO -0.01 -0.39 -0.24 0.71 -2.12 0.00 0.00 175.29 173.25 3dee s TYR 143 N 1.40 2.09 -2.23 0.91 2.02 0.16 -4.99 117.35 116.71 3dee s TYR 143 Ca -0.00 -0.40 0.20 0.00 -0.37 0.00 0.00 57.07 56.50 3dee s TYR 143 Cb -0.16 -1.18 0.75 0.00 -0.40 0.00 0.00 41.96 40.98 3dee s TYR 143 CO -0.09 0.22 1.54 0.54 -1.57 0.00 0.00 175.55 176.19 3dee n ARG 144 N 1.28 1.65 -4.18 -0.62 1.74 -1.26 0.60 116.66 115.87 3dee n ARG 144 Ca -0.18 -0.98 -0.17 0.00 -0.77 0.00 0.00 57.85 55.75 3dee n ARG 144 Cb 0.53 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 30.48 3dee n ARG 144 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dee s TYR 145 N -1.80 1.17 -1.05 -1.55 1.51 -1.21 -1.04 117.35 113.39 3dee s TYR 145 Ca 0.31 -0.55 -0.20 0.00 -1.01 0.00 0.00 57.07 55.62 3dee s TYR 145 Cb 0.16 -0.64 0.10 0.00 -0.11 0.00 0.00 41.96 41.47 3dee s TYR 145 CO 0.25 0.05 1.37 0.34 -1.11 0.00 0.00 175.55 176.45 3dee s ASP 146 N -2.16 6.66 0.28 2.29 -1.08 0.12 -4.57 116.67 118.22 3dee s ASP 146 Ca 0.03 -1.99 0.25 0.00 -0.52 0.00 0.00 52.55 50.31 3dee s ASP 146 Cb -0.06 -2.49 0.98 0.00 -1.46 0.00 0.00 42.92 39.89 3dee s ASP 146 CO 0.02 -1.21 1.75 -0.37 0.52 0.00 0.00 175.17 175.88 3dee h VAL 147 N 6.02 0.00 0.00 1.11 -1.51 -1.93 0.13 116.25 120.07 3dee h VAL 147 Ca 0.23 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 3dee h VAL 147 Cb 0.98 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3dee h VAL 147 CO 1.29 0.00 -0.42 0.35 -1.23 0.00 0.00 177.57 177.56 3dee n THR 148 N -2.34 0.34 0.00 7.19 -2.24 -1.26 -4.80 114.28 111.17 3dee n THR 148 Ca 0.03 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3dee n THR 148 Cb 0.27 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3dee n THR 148 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3dee n HIS 149 N -2.02 0.00 -2.58 4.78 -0.00 -1.08 -5.05 115.22 109.27 3dee n HIS 149 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 3dee n HIS 149 Cb 0.42 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.44 3dee n HIS 149 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3dee n ASP 150 N -0.16 0.57 -2.87 0.26 -0.08 -1.08 -5.02 116.55 108.18 3dee n ASP 150 Ca 0.00 -2.04 -0.20 0.00 -1.51 0.00 0.00 54.79 51.04 3dee n ASP 150 Cb 0.00 -0.14 0.04 0.00 2.34 0.00 0.00 41.12 43.37 3dee n ASP 150 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3dee n LEU 151 N -0.27 -2.78 -4.75 -2.67 4.77 0.44 -4.94 117.00 106.79 3dee n LEU 151 Ca -0.02 -0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.22 3dee n LEU 151 Cb 0.92 -2.72 -0.02 0.00 -2.33 0.00 0.00 43.42 39.27 3dee n LEU 151 CO -0.03 0.33 1.16 -1.10 -1.33 0.00 0.00 177.39 176.42 3dee s GLN 152 N -5.76 4.19 -0.44 3.23 1.11 -1.26 -4.42 119.66 116.31 3dee s GLN 152 Ca 0.35 2.45 -0.28 0.00 0.01 0.00 0.00 55.36 57.89 3dee s GLN 152 Cb -0.15 -3.05 -0.02 0.00 -1.01 0.00 0.00 33.01 28.77 3dee s GLN 152 CO 0.43 -0.51 1.86 -1.21 0.01 0.00 0.00 175.29 175.87 3dee s GLU 153 N -0.70 3.00 -0.30 2.91 2.02 -1.26 0.12 118.70 124.49 3dee s GLU 153 Ca 0.60 1.13 -0.15 0.00 0.02 0.00 0.00 54.97 56.57 3dee s GLU 153 Cb -0.45 -4.29 0.16 0.00 0.10 0.00 0.00 34.13 29.65 3dee s GLU 153 CO 0.48 -2.26 1.00 0.00 0.02 0.00 0.00 175.26 174.49 3dee s ALA 154 N 8.03 -2.64 -0.23 5.21 0.00 -0.21 -4.95 121.76 126.96 3dee s ALA 154 Ca 0.76 2.07 -0.37 0.00 0.00 0.00 0.00 51.96 54.43 3dee s ALA 154 Cb -0.18 -2.00 -0.13 0.00 0.00 0.00 0.00 23.12 20.81 3dee s ALA 154 CO 0.28 -0.83 1.90 0.39 0.00 0.00 0.00 175.76 177.50 3dee n GLU 155 N 4.70 1.49 -5.04 0.00 -0.58 -1.26 -3.30 120.64 116.65 3dee n GLU 155 Ca -0.11 0.52 -0.29 0.00 -0.42 0.00 0.00 57.16 56.86 3dee n GLU 155 Cb 0.54 -2.38 -0.17 0.00 -0.57 0.00 0.00 31.44 28.86 3dee n GLU 155 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3dee s THR 156 N 4.67 1.76 -0.19 2.62 2.01 0.20 -4.99 115.64 121.72 3dee s THR 156 Ca 0.99 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 62.13 3dee s THR 156 Cb -0.89 -1.52 0.04 0.00 0.01 0.00 0.00 72.50 70.14 3dee s THR 156 CO 0.57 0.49 -0.13 0.00 -0.69 0.00 0.00 174.62 174.86 3dee s ALA 157 N 0.18 2.12 0.11 7.40 0.00 -1.26 -0.66 121.76 129.65 3dee s ALA 157 Ca -0.11 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.70 3dee s ALA 157 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3dee s ALA 157 CO 0.05 -0.67 -0.17 -0.51 0.00 0.00 0.00 175.76 174.45 3dee s LEU 158 N 1.35 2.33 -0.21 0.00 1.43 -0.38 -0.72 118.68 122.48 3dee s LEU 158 Ca 0.00 -0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 3dee s LEU 158 Cb -0.15 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.36 3dee s LEU 158 CO -0.09 -0.03 -0.10 -0.22 0.23 0.00 0.00 176.35 176.14 3dee s LEU 159 N -2.09 2.70 -0.15 1.79 2.96 -0.20 -1.00 118.68 122.69 3dee s LEU 159 Ca 0.06 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 3dee s LEU 159 Cb -0.08 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 3dee s LEU 159 CO 0.04 -0.03 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.39 3dee s ILE 160 N 1.39 4.11 0.33 6.68 1.09 0.84 -1.56 121.20 134.08 3dee s ILE 160 Ca 0.05 -0.28 -0.11 0.00 -1.10 0.00 0.00 60.65 59.20 3dee s ILE 160 Cb -0.14 -2.80 0.02 0.00 -1.06 0.00 0.00 42.46 38.47 3dee s ILE 160 CO -0.07 0.50 0.60 -1.66 -0.10 0.00 0.00 174.94 174.21 3dee s TRP 161 N 0.25 0.48 -0.13 3.97 -2.14 -1.26 0.43 118.94 120.55 3dee s TRP 161 Ca -0.01 -0.91 0.01 0.00 2.66 0.00 0.00 56.10 57.84 3dee s TRP 161 Cb -0.14 0.36 -0.01 0.00 -3.10 0.00 0.00 33.47 30.58 3dee s TRP 161 CO 0.02 -1.26 -0.16 0.50 -2.66 0.00 0.00 176.95 173.39 3dee s ARG 162 N -3.09 3.26 0.64 3.25 3.52 -1.20 -4.36 118.95 120.98 3dee s ARG 162 Ca 0.22 -0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 55.07 3dee s ARG 162 Cb -0.03 -2.55 0.13 0.00 -1.56 0.00 0.00 34.95 30.94 3dee s ARG 162 CO 0.14 0.16 0.88 0.27 -0.81 0.00 0.00 175.30 175.93 3dee n ASN 163 N 3.65 1.17 0.07 -2.12 0.23 -0.72 -4.76 115.26 112.78 3dee n ASN 163 Ca -0.19 -1.99 0.19 0.00 -0.53 0.00 0.00 54.58 52.06 3dee n ASN 163 Cb 0.53 -0.57 0.73 0.00 -2.08 0.00 0.00 39.78 38.39 3dee n ASN 163 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dee h ALA 164 N -0.60 2.26 -0.28 -2.53 0.00 -1.78 0.29 119.26 116.61 3dee h ALA 164 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dee h ALA 164 Cb 1.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3dee h ALA 164 CO 0.31 -0.55 0.00 0.39 0.00 0.00 0.00 179.25 179.40 3dee n GLU 165 N -4.13 2.08 -2.50 0.00 1.02 -1.26 -4.92 120.64 110.92 3dee n GLU 165 Ca 0.07 -1.20 -0.20 0.00 -0.02 0.00 0.00 57.16 55.82 3dee n GLU 165 Cb 0.52 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3dee n GLU 165 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dee n ASP 166 N 0.35 -5.52 -4.72 1.62 8.00 0.09 -5.00 116.55 111.36 3dee n ASP 166 Ca 0.11 -0.02 -0.35 0.00 0.71 0.00 0.00 54.79 55.24 3dee n ASP 166 Cb 0.41 -4.59 -0.09 0.00 -0.02 0.00 0.00 41.12 36.84 3dee n ASP 166 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3dee s ASP 167 N -2.14 5.62 0.79 -2.24 1.01 -1.26 -4.86 116.67 113.59 3dee s ASP 167 Ca 0.05 0.22 -0.11 0.00 0.71 0.00 0.00 52.55 53.41 3dee s ASP 167 Cb -0.02 -1.74 0.06 0.00 1.01 0.00 0.00 42.92 42.23 3dee s ASP 167 CO 0.06 0.34 1.10 -0.69 0.21 0.00 0.00 175.17 176.19 3dee s VAL 168 N -0.65 3.09 -0.20 -1.27 1.01 -1.26 -1.76 120.40 119.35 3dee s VAL 168 Ca 0.11 0.35 -0.31 0.00 0.00 0.00 0.00 61.98 62.14 3dee s VAL 168 Cb -0.12 -3.13 0.15 0.00 0.00 0.00 0.00 36.38 33.29 3dee s VAL 168 CO 0.02 -0.46 1.16 -0.72 0.00 0.00 0.00 175.10 175.10 3dee s TYR 170 N -3.18 -0.20 0.04 5.22 -0.85 -1.26 -4.99 117.35 112.13 3dee s TYR 170 Ca 0.61 0.30 -0.22 0.00 -0.52 0.00 0.00 57.07 57.23 3dee s TYR 170 Cb -0.14 0.48 0.05 0.00 0.38 0.00 0.00 41.96 42.73 3dee s TYR 170 CO 0.54 -0.22 0.51 1.14 -1.52 0.00 0.00 175.55 176.01 3dee s GLN 171 N -1.44 1.02 0.39 -3.49 -2.07 -0.60 -4.97 119.66 108.49 3dee s GLN 171 Ca 0.05 -0.22 -0.27 0.00 -1.82 0.00 0.00 55.36 53.09 3dee s GLN 171 Cb -0.01 0.47 -0.10 0.00 -1.09 0.00 0.00 33.01 32.27 3dee s GLN 171 CO -0.04 -0.36 1.47 0.99 -1.32 0.00 0.00 175.29 176.04 3dee s THR 172 N -2.37 2.05 -0.18 3.63 2.01 -1.26 -1.04 115.64 118.49 3dee s THR 172 Ca -0.06 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 3dee s THR 172 Cb -0.01 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3dee s THR 172 CO -0.01 0.01 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.58 3dee s LEU 173 N -2.22 2.50 0.64 4.42 2.96 0.10 -4.76 118.68 122.31 3dee s LEU 173 Ca 0.54 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.89 3dee s LEU 173 Cb -0.46 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3dee s LEU 173 CO 0.62 0.04 0.96 1.51 -1.32 0.00 0.00 176.35 178.16 3dee s ASP 174 N 1.10 5.37 0.33 3.68 1.47 -1.26 -4.71 116.67 122.64 3dee s ASP 174 Ca 0.00 0.71 0.03 0.00 1.18 0.00 0.00 52.55 54.47 3dee s ASP 174 Cb -0.14 -1.59 0.63 0.00 -0.34 0.00 0.00 42.92 41.48 3dee s ASP 174 CO -0.04 -1.25 1.93 1.23 0.68 0.00 0.00 175.17 177.73 3dee h GLY 175 N -0.36 1.15 0.83 2.12 0.00 -2.00 -2.95 103.07 101.85 3dee h GLY 175 Ca -0.45 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 3dee h GLY 175 CO 0.61 0.27 -0.00 -2.75 0.00 0.00 0.00 176.54 174.67 3dee h PHE 176 N 0.90 -0.01 -0.02 5.60 3.04 -2.05 -3.43 116.94 120.98 3dee h PHE 176 Ca 0.35 -0.00 -0.42 0.00 3.98 0.00 0.00 57.97 61.88 3dee h PHE 176 Cb 0.22 0.00 0.11 0.00 2.56 0.00 0.00 35.95 38.84 3dee h PHE 176 CO -0.00 0.17 1.02 -0.25 -2.02 0.00 0.00 178.31 177.22 3dee n ASP 177 N -5.01 0.90 0.00 0.41 9.92 -1.12 -4.65 116.55 116.99 3dee n ASP 177 Ca -0.08 -2.36 0.00 0.00 -0.53 0.00 0.00 54.79 51.82 3dee n ASP 177 Cb 0.11 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 3dee n ASP 177 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3dee n LEU 180 N 10.98 0.00 -0.28 0.64 7.94 -1.26 -4.54 117.00 130.48 3dee n LEU 180 Ca 0.42 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.26 3dee n LEU 180 Cb 0.42 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.43 3dee n LEU 180 CO 1.00 0.00 1.07 -0.07 -1.11 0.00 0.00 177.39 178.28 3dee h LEU 181 N 0.00 1.01 -0.43 -1.96 3.38 -1.97 -2.90 115.31 112.43 3dee h LEU 181 Ca 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3dee h LEU 181 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3dee h LEU 181 CO 0.00 0.87 0.14 -0.08 0.09 0.00 0.00 178.44 179.46 3dee h GLU 182 N 1.07 0.67 -1.04 1.13 4.57 -1.96 0.09 114.58 119.12 3dee h GLU 182 Ca 0.26 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3dee h GLU 182 Cb 0.14 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3dee h GLU 182 CO -0.03 0.64 0.00 -0.89 -1.18 0.00 0.00 179.01 177.55 3dee n ILE 183 N -4.58 0.10 0.00 2.32 5.41 -1.10 -2.35 119.36 119.17 3dee n ILE 183 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3dee n ILE 183 Cb 0.18 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.75 3dee n ILE 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dee n GLY 185 N 0.67 0.00 0.19 7.39 0.00 0.02 -1.81 105.19 111.64 3dee n GLY 185 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3dee n GLY 185 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dee h SER 186 N 0.00 0.79 -1.99 1.61 0.02 -1.74 -3.45 113.55 108.79 3dee h SER 186 Ca 0.00 -0.70 0.02 0.00 -0.84 0.00 0.00 61.79 60.26 3dee h SER 186 Cb 0.00 -0.24 -0.23 0.00 0.14 0.00 0.00 62.40 62.07 3dee h SER 186 CO 0.00 1.39 -0.24 -0.94 -1.14 0.00 0.00 176.83 175.89 3dee s SER 187 N -7.04 -0.84 0.16 3.07 1.04 -0.75 -5.13 113.70 104.21 3dee s SER 187 Ca -0.11 1.22 -0.30 0.00 0.48 0.00 0.00 55.95 57.24 3dee s SER 187 Cb 0.06 1.94 -0.18 0.00 0.10 0.00 0.00 66.02 67.95 3dee s SER 187 CO 0.88 -0.23 0.63 0.00 0.98 0.00 0.00 173.24 175.50 3dee n ALA 188 N 5.42 -3.03 -2.79 5.32 0.00 -1.26 -4.98 120.51 119.19 3dee n ALA 188 Ca -0.09 0.47 -0.15 0.00 0.00 0.00 0.00 53.44 53.67 3dee n ALA 188 Cb 0.49 -1.63 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 3dee n ALA 188 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dee s LEU 189 N 2.38 2.06 0.43 0.00 2.96 -0.48 -4.84 118.68 121.18 3dee s LEU 189 Ca 0.69 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 3dee s LEU 189 Cb -1.00 -0.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 3dee s LEU 189 CO 0.56 0.00 0.65 -0.94 -1.32 0.00 0.00 176.35 175.31 3dee s SER 190 N -0.39 5.98 0.23 3.68 1.04 -1.26 -0.32 113.70 122.66 3dee s SER 190 Ca -0.01 0.38 -0.07 0.00 0.48 0.00 0.00 55.95 56.74 3dee s SER 190 Cb -0.03 -1.72 0.20 0.00 0.10 0.00 0.00 66.02 64.57 3dee s SER 190 CO -0.00 -0.59 1.83 0.15 0.98 0.00 0.00 173.24 175.61 3dee h PHE 191 N 0.47 1.23 -0.79 5.02 3.57 -1.77 -0.25 116.94 124.41 3dee h PHE 191 Ca -0.47 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 60.96 3dee h PHE 191 Cb 1.24 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 3dee h PHE 191 CO 0.48 0.88 0.44 -0.44 -2.23 0.00 0.00 178.31 177.44 3dee h ASP 192 N 1.22 0.98 -0.26 0.41 5.19 -1.62 0.16 116.42 122.51 3dee h ASP 192 Ca 0.30 -0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 3dee h ASP 192 Cb 0.10 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 3dee h ASP 192 CO -0.04 0.79 -0.01 0.74 -3.12 0.00 0.00 179.24 177.61 3dee h THR 193 N 1.10 1.26 0.60 0.35 2.02 -1.77 -1.96 112.91 114.51 3dee h THR 193 Ca 0.28 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 3dee h THR 193 Cb 0.02 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3dee h THR 193 CO -0.05 0.29 -0.43 0.25 0.37 0.00 0.00 175.52 175.96 3dee h LEU 194 N 0.24 -1.12 -1.40 2.58 5.85 -0.42 -2.02 115.31 119.02 3dee h LEU 194 Ca 0.07 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.98 3dee h LEU 194 Cb 0.43 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 3dee h LEU 194 CO 0.01 -0.63 0.52 0.00 -0.34 0.00 0.00 178.44 178.01 3dee h ALA 195 N -1.19 1.86 -0.02 1.25 0.00 -0.76 -1.25 119.26 119.15 3dee h ALA 195 Ca -0.08 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3dee h ALA 195 Cb 0.81 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3dee h ALA 195 CO 0.04 -0.05 -0.58 0.37 0.00 0.00 0.00 179.25 179.03 3dee h GLN 196 N 0.64 0.08 -0.18 0.00 5.75 -1.17 -2.84 115.11 117.39 3dee h GLN 196 Ca 0.38 -0.05 -0.19 0.00 -0.15 0.00 0.00 58.65 58.64 3dee h GLN 196 Cb 0.59 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.15 3dee h GLN 196 CO -0.15 0.64 -0.65 1.15 -2.65 0.00 0.00 178.83 177.17 3dee h THR 197 N 0.06 1.31 0.00 2.39 2.02 -0.48 -3.17 112.91 115.04 3dee h THR 197 Ca -0.00 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.27 3dee h THR 197 Cb 1.04 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3dee h THR 197 CO 0.08 0.60 0.00 -0.07 0.37 0.00 0.00 175.52 176.50 3dee h LEU 198 N 0.48 0.00 -1.17 2.58 3.38 -1.44 -3.35 115.31 115.79 3dee h LEU 198 Ca -0.02 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.23 3dee h LEU 198 Cb 1.24 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 3dee h LEU 198 CO 0.13 0.00 0.64 0.58 0.09 0.00 0.00 178.44 179.88 3dee h VAL 199 N 0.00 0.48 0.00 1.22 2.07 -1.47 -0.62 116.25 117.93 3dee h VAL 199 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3dee h VAL 199 Cb 0.68 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3dee h VAL 199 CO 0.00 0.08 0.00 1.05 0.02 0.00 0.00 177.57 178.72 3dee h GLU 200 N 0.45 0.00 -1.97 1.57 4.11 -1.80 -3.45 114.58 113.50 3dee h GLU 200 Ca 0.65 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 59.39 3dee h GLU 200 Cb 1.47 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.38 3dee h GLU 200 CO -0.42 0.00 0.21 1.19 0.07 0.00 0.00 179.01 180.06 3dee n PHE 201 N -2.44 3.27 -2.94 2.06 3.72 -0.24 -5.14 117.46 115.76 3dee n PHE 201 Ca 0.05 -2.93 -0.30 0.00 -0.05 0.00 0.00 57.45 54.22 3dee n PHE 201 Cb 0.43 -0.74 -0.03 0.00 -0.94 0.00 0.00 39.48 38.20 3dee n PHE 201 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3dee s PRO 203 N -3.86 3.78 0.36 -1.08 0.02 -1.26 -5.09 135.00 127.86 3dee s PRO 203 Ca 0.48 0.44 0.07 0.00 0.02 0.00 0.00 61.00 62.00 3dee s PRO 203 Cb 0.35 -2.42 0.75 0.00 0.02 0.00 0.00 34.50 33.20 3dee s PRO 203 CO -0.24 0.01 1.93 1.57 -0.33 0.00 0.00 177.00 179.94 3dee h LYS 204 N 1.41 0.73 -6.31 5.54 -0.00 -2.01 -3.41 116.57 112.53 3dee h LYS 204 Ca -0.47 -0.04 -0.55 0.00 -0.00 0.00 0.00 60.65 59.58 3dee h LYS 204 Cb 1.19 -0.16 -0.01 0.00 -0.00 0.00 0.00 32.23 33.24 3dee h LYS 204 CO 0.64 0.48 0.90 0.00 -0.00 0.00 0.00 179.45 181.48 3dee s ALA 205 N -5.69 3.60 -0.37 0.07 0.00 -1.26 -4.92 121.76 113.20 3dee s ALA 205 Ca -0.10 0.81 0.04 0.00 0.00 0.00 0.00 51.96 52.71 3dee s ALA 205 Cb 0.20 -3.63 0.38 0.00 0.00 0.00 0.00 23.12 20.07 3dee s ALA 205 CO 0.78 -1.07 1.36 -0.40 0.00 0.00 0.00 175.76 176.43 3dee n ASP 206 N 5.99 3.43 0.27 0.00 5.68 -1.26 -4.38 116.55 126.28 3dee n ASP 206 Ca 0.14 -2.71 0.10 0.00 -0.50 0.00 0.00 54.79 51.81 3dee n ASP 206 Cb 0.44 -0.65 0.70 0.00 -1.14 0.00 0.00 41.12 40.47 3dee n ASP 206 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3dee h ASN 207 N 1.11 0.00 -0.73 -1.12 4.21 -1.93 -2.72 115.58 114.40 3dee h ASN 207 Ca 0.21 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.70 3dee h ASN 207 Cb 1.73 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.89 3dee h ASN 207 CO 0.46 0.01 0.36 4.11 -1.29 0.00 0.00 177.43 181.08 3dee h TRP 208 N 0.00 1.05 -0.98 1.19 5.08 -1.97 -2.31 115.95 118.02 3dee h TRP 208 Ca -0.00 -0.04 0.19 0.00 1.08 0.00 0.00 58.89 60.12 3dee h TRP 208 Cb 0.02 -0.33 -0.09 0.00 -3.00 0.00 0.00 29.16 25.76 3dee h TRP 208 CO 0.00 0.76 0.61 0.87 -1.28 0.00 0.00 178.44 179.41 3dee h LYS 209 N 1.05 0.66 -0.26 0.12 1.57 -1.83 0.07 116.57 117.95 3dee h LYS 209 Ca 0.26 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 3dee h LYS 209 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3dee h LYS 209 CO -0.03 0.44 -0.41 -0.91 -0.57 0.00 0.00 179.45 177.97 3dee h ASN 210 N 0.68 0.66 -0.14 0.86 2.35 -1.56 -1.57 115.58 116.86 3dee h ASN 210 Ca 0.54 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 3dee h ASN 210 Cb 0.95 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 3dee h ASN 210 CO -0.31 0.99 -0.34 0.40 -1.65 0.00 0.00 177.43 176.51 3dee h ILE 211 N 0.51 1.29 -0.17 2.81 2.04 -1.05 -2.41 117.51 120.52 3dee h ILE 211 Ca 0.04 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.37 3dee h ILE 211 Cb 0.92 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3dee h ILE 211 CO 0.08 0.48 -0.07 0.25 0.00 0.00 0.00 178.15 178.89 3dee h LEU 212 N 0.55 0.37 -1.03 1.44 5.85 -0.99 -1.65 115.31 119.84 3dee h LEU 212 Ca 0.06 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.41 3dee h LEU 212 Cb 0.85 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 3dee h LEU 212 CO 0.07 0.69 0.65 0.25 -0.34 0.00 0.00 178.44 179.76 3dee h LEU 213 N 0.04 1.09 -0.25 2.25 5.85 -1.24 0.13 115.31 123.18 3dee h LEU 213 Ca 0.04 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3dee h LEU 213 Cb 0.54 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3dee h LEU 213 CO 0.02 0.76 0.06 1.23 -0.34 0.00 0.00 178.44 180.17 3dee h GLY 214 N 1.27 0.29 1.00 3.75 0.00 -1.15 0.84 103.07 109.06 3dee h GLY 214 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3dee h GLY 214 CO -0.11 0.00 0.17 1.70 0.00 0.00 0.00 176.54 178.30 3dee h LYS 215 N 0.16 0.35 -0.40 4.80 3.64 -0.31 -1.75 116.57 123.05 3dee h LYS 215 Ca 0.11 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3dee h LYS 215 Cb 0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3dee h LYS 215 CO -0.14 0.24 0.21 2.35 -2.27 0.00 0.00 179.45 179.84 3dee h TRP 216 N 0.35 0.39 -0.53 1.91 2.91 -0.49 -2.24 115.95 118.26 3dee h TRP 216 Ca 0.10 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 3dee h TRP 216 Cb -0.03 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 3dee h TRP 216 CO -0.06 0.21 0.28 0.77 -1.03 0.00 0.00 178.44 178.62 3dee h SER 217 N 0.43 0.64 -0.01 2.65 0.02 -0.67 -2.50 113.55 114.12 3dee h SER 217 Ca 0.17 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 3dee h SER 217 Cb 0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3dee h SER 217 CO -0.11 0.52 -0.37 1.23 -1.14 0.00 0.00 176.83 176.97 3dee h GLY 218 N 0.81 0.54 1.83 -3.77 0.00 -0.95 -1.91 103.07 99.62 3dee h GLY 218 Ca 0.19 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3dee h GLY 218 CO -0.03 0.47 -0.38 1.49 0.00 0.00 0.00 176.54 178.09 3dee h TRP 219 N 0.42 0.22 -0.08 5.60 4.06 -1.01 -1.84 115.95 123.32 3dee h TRP 219 Ca 0.04 -0.05 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 3dee h TRP 219 Cb 0.84 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.95 3dee h TRP 219 CO 0.03 0.55 -0.11 0.82 -3.56 0.00 0.00 178.44 176.17 3dee h ILE 220 N 0.17 1.38 -0.66 1.49 2.04 -1.26 0.14 117.51 120.81 3dee h ILE 220 Ca 0.02 -1.32 0.04 0.00 1.00 0.00 0.00 64.86 64.60 3dee h ILE 220 Cb 0.74 2.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.84 3dee h ILE 220 CO 0.06 0.37 0.39 -0.08 0.00 0.00 0.00 178.15 178.89 3dee h GLU 221 N -0.22 0.73 0.00 2.37 4.22 -1.26 -2.39 114.58 118.02 3dee h GLU 221 Ca 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3dee h GLU 221 Cb 0.65 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3dee h GLU 221 CO 0.03 0.48 0.00 1.04 -2.18 0.00 0.00 179.01 178.38 3dee n GLN 222 N -4.73 0.42 -3.06 1.92 1.13 -0.70 -4.46 117.38 107.89 3dee n GLN 222 Ca 0.07 0.02 -0.16 0.00 -1.94 0.00 0.00 57.00 54.99 3dee n GLN 222 Cb 0.12 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.01 3dee n GLN 222 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 3dee n ARG 223 N -1.28 -4.60 0.05 -1.09 0.63 -0.90 -4.12 116.66 105.35 3dee n ARG 223 Ca 0.14 0.59 -0.17 0.00 -0.92 0.00 0.00 57.85 57.48 3dee n ARG 223 Cb 0.22 -4.83 -0.14 0.00 0.45 0.00 0.00 32.46 28.16 3dee n ARG 223 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3dee h ILE 224 N -1.49 1.05 -3.98 5.15 2.04 -0.99 -3.42 117.51 115.87 3dee h ILE 224 Ca -0.38 -2.71 -0.60 0.00 1.00 0.00 0.00 64.86 62.17 3dee h ILE 224 Cb 1.25 2.71 -0.23 0.00 -0.74 0.00 0.00 36.82 39.81 3dee h ILE 224 CO 0.38 0.81 -0.84 0.27 0.00 0.00 0.00 178.15 178.76 3dee s ILE 225 N -2.61 1.87 0.07 -0.67 -4.36 -1.08 -0.43 121.20 114.01 3dee s ILE 225 Ca -0.11 -1.54 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 3dee s ILE 225 Cb 0.07 -1.67 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 3dee s ILE 225 CO 0.84 0.04 -0.07 0.27 0.24 0.00 0.00 174.94 176.26 3dee s ILE 226 N -1.06 0.65 0.37 8.37 -4.36 0.65 -4.44 121.20 121.38 3dee s ILE 226 Ca 0.09 -1.55 -0.27 0.00 -0.26 0.00 0.00 60.65 58.65 3dee s ILE 226 Cb -0.10 -1.21 -0.11 0.00 1.25 0.00 0.00 42.46 42.29 3dee s ILE 226 CO 0.04 -0.64 1.30 -2.65 0.24 0.00 0.00 174.94 173.23 3dee n PRO 227 N 0.63 2.11 -3.02 0.37 -0.02 -1.26 -1.33 135.00 132.48 3dee n PRO 227 Ca -0.17 0.74 -0.44 0.00 -2.02 0.00 0.00 63.50 61.61 3dee n PRO 227 Cb 0.58 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 3dee n PRO 227 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3dee s SER 228 N -0.37 6.34 -0.34 2.55 0.15 -0.15 -4.71 113.70 117.16 3dee s SER 228 Ca 0.57 -1.58 -0.13 0.00 0.70 0.00 0.00 55.95 55.51 3dee s SER 228 Cb -0.54 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.41 3dee s SER 228 CO 0.61 -1.14 0.26 -0.76 1.20 0.00 0.00 173.24 173.41 3dee s LEU 229 N 2.81 4.51 0.00 3.45 1.43 -1.26 -4.84 118.68 124.78 3dee s LEU 229 Ca 0.20 -0.39 0.26 0.00 -1.03 0.00 0.00 54.13 53.16 3dee s LEU 229 Cb -0.16 -2.17 0.52 0.00 0.03 0.00 0.00 46.19 44.41 3dee s LEU 229 CO 0.02 -0.25 1.45 -1.20 0.23 0.00 0.00 176.35 176.60