#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oee s ASN 4 N 0.00 7.32 0.27 -1.34 3.84 -1.26 -4.95 114.94 118.82 2oee s ASN 4 Ca 0.00 1.84 -0.01 0.00 0.21 0.00 0.00 52.86 54.89 2oee s ASN 4 Cb 0.00 -2.58 0.49 0.00 -0.55 0.00 0.00 41.25 38.61 2oee s ASN 4 CO 0.00 -0.25 1.82 0.15 -2.79 0.00 0.00 177.10 176.02 2oee h PHE 5 N 6.24 0.99 -0.26 0.43 3.57 -2.05 -1.83 116.94 124.03 2oee h PHE 5 Ca -0.42 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 60.96 2oee h PHE 5 Cb 1.22 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 2oee h PHE 5 CO 0.66 0.38 -0.44 1.88 -2.23 0.00 0.00 178.31 178.56 2oee h TYR 6 N 0.87 0.94 -0.51 0.41 0.05 -1.99 -1.09 116.97 115.65 2oee h TYR 6 Ca 0.46 -0.33 0.10 0.00 0.05 0.00 0.00 58.73 59.01 2oee h TYR 6 Cb 0.47 -0.18 -0.09 0.00 1.01 0.00 0.00 36.73 37.94 2oee h TYR 6 CO -0.04 1.12 -0.07 -0.44 -1.05 0.00 0.00 178.16 177.68 2oee h ASP 7 N 0.49 -0.37 -0.47 3.88 3.32 -1.83 -1.25 116.42 120.19 2oee h ASP 7 Ca 0.02 0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 2oee h ASP 7 Cb 1.04 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 2oee h ASP 7 CO 0.10 -0.13 -0.13 0.58 -1.72 0.00 0.00 179.24 177.93 2oee h VAL 8 N 0.05 1.27 -0.94 -1.35 2.07 -1.30 -2.56 116.25 113.49 2oee h VAL 8 Ca 0.25 -1.27 0.11 0.00 0.82 0.00 0.00 66.70 66.61 2oee h VAL 8 Cb 0.39 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2oee h VAL 8 CO -0.48 0.44 0.60 0.00 0.02 0.00 0.00 177.57 178.14 2oee h ALA 9 N 0.87 1.59 -0.08 1.67 0.00 -0.70 0.12 119.26 122.74 2oee h ALA 9 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2oee h ALA 9 Cb 0.69 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2oee h ALA 9 CO 0.05 0.20 -0.54 1.88 0.00 0.00 0.00 179.25 180.84 2oee h TYR 10 N 0.93 0.27 -0.41 0.00 0.05 -1.06 0.34 116.97 117.10 2oee h TYR 10 Ca 0.45 -0.09 -0.07 0.00 0.05 0.00 0.00 58.73 59.06 2oee h TYR 10 Cb 0.44 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 2oee h TYR 10 CO -0.00 0.71 -0.04 -0.44 -1.05 0.00 0.00 178.16 177.34 2oee h ASP 11 N 0.17 0.65 -0.32 3.88 3.32 -0.80 -2.12 116.42 121.20 2oee h ASP 11 Ca 0.00 -0.16 -0.17 0.00 0.02 0.00 0.00 57.03 56.72 2oee h ASP 11 Cb 1.01 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 2oee h ASP 11 CO 0.08 0.75 -0.46 0.25 -1.72 0.00 0.00 179.24 178.14 2oee h LEU 12 N 0.63 0.95 -0.63 1.55 5.85 -0.22 -0.53 115.31 122.92 2oee h LEU 12 Ca 0.12 -0.51 0.10 0.00 0.84 0.00 0.00 57.88 58.43 2oee h LEU 12 Cb 0.45 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 2oee h LEU 12 CO 0.02 1.28 0.25 -0.08 -0.34 0.00 0.00 178.44 179.57 2oee h GLU 13 N 0.66 0.42 -0.62 1.25 4.81 -0.85 -0.77 114.58 119.48 2oee h GLU 13 Ca 0.03 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2oee h GLU 13 Cb 1.07 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 2oee h GLU 13 CO 0.11 0.28 0.29 -0.91 -0.73 0.00 0.00 179.01 178.05 2oee h ASN 14 N 0.44 0.82 -0.49 1.04 -0.26 -1.11 0.17 115.58 116.18 2oee h ASN 14 Ca 0.32 -0.14 0.03 0.00 -0.56 0.00 0.00 56.30 55.95 2oee h ASN 14 Cb 0.39 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.40 2oee h ASN 14 CO -0.31 0.73 0.27 0.00 -1.06 0.00 0.00 177.43 177.07 2oee h ALA 15 N 1.12 0.62 -0.11 -0.83 0.00 -0.55 -1.17 119.26 118.34 2oee h ALA 15 Ca 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2oee h ALA 15 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2oee h ALA 15 CO -0.02 -0.06 0.04 1.25 0.00 0.00 0.00 179.25 180.46 2oee h LEU 16 N 0.53 0.15 -1.17 0.00 5.85 -0.76 -2.16 115.31 117.75 2oee h LEU 16 Ca 0.21 -0.17 0.17 0.00 0.84 0.00 0.00 57.88 58.93 2oee h LEU 16 Cb 0.07 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 2oee h LEU 16 CO -0.12 0.28 0.61 0.03 -0.34 0.00 0.00 178.44 178.89 2oee h ARG 17 N 0.01 0.70 -0.02 1.25 3.08 -0.43 -2.06 114.38 116.91 2oee h ARG 17 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2oee h ARG 17 Cb 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2oee h ARG 17 CO -0.00 0.46 -0.00 0.41 -1.07 0.00 0.00 179.97 179.77 2oee n GLY 18 N -1.39 0.23 3.81 0.04 0.00 -0.47 -4.79 105.19 102.61 2oee n GLY 18 Ca 0.20 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2oee n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oee s SER 19 N -2.00 6.72 0.37 1.61 1.04 -0.78 -4.95 113.70 115.71 2oee s SER 19 Ca 0.36 1.80 0.05 0.00 0.48 0.00 0.00 55.95 58.64 2oee s SER 19 Cb 0.21 -2.55 0.71 0.00 0.10 0.00 0.00 66.02 64.49 2oee s SER 19 CO 0.33 -0.52 1.96 -0.08 0.98 0.00 0.00 173.24 175.91 2oee h GLU 20 N 1.84 0.54 -0.66 4.02 4.22 -1.91 -2.42 114.58 120.22 2oee h GLU 20 Ca -0.49 -0.07 0.06 0.00 0.08 0.00 0.00 59.36 58.93 2oee h GLU 20 Cb 1.20 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 2oee h GLU 20 CO 0.60 0.47 0.37 0.93 -2.18 0.00 0.00 179.01 179.20 2oee h GLU 21 N 0.54 0.66 -0.44 1.92 3.07 -1.92 0.12 114.58 118.53 2oee h GLU 21 Ca 0.13 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.89 2oee h GLU 21 Cb 0.15 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2oee h GLU 21 CO -0.01 0.44 0.02 0.35 -1.40 0.00 0.00 179.01 178.41 2oee h PHE 22 N 0.68 0.82 -0.63 4.33 3.57 -1.71 -1.93 116.94 122.08 2oee h PHE 22 Ca 0.29 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.68 2oee h PHE 22 Cb 0.17 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 2oee h PHE 22 CO -0.08 0.81 0.40 1.15 -2.23 0.00 0.00 178.31 178.36 2oee h THR 23 N 0.61 1.11 -0.60 4.41 2.02 -0.94 0.35 112.91 119.86 2oee h THR 23 Ca 0.13 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2oee h THR 23 Cb 0.46 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 2oee h THR 23 CO 0.02 0.15 0.28 0.03 0.37 0.00 0.00 175.52 176.36 2oee h ARG 24 N 0.80 0.87 -0.22 6.66 3.08 -0.72 0.69 114.38 125.54 2oee h ARG 24 Ca 0.25 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2oee h ARG 24 Cb -0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2oee h ARG 24 CO -0.09 0.72 0.05 1.25 -1.07 0.00 0.00 179.97 180.83 2oee h LEU 25 N 0.82 0.34 -0.53 3.04 5.85 -0.95 -1.89 115.31 121.98 2oee h LEU 25 Ca 0.20 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2oee h LEU 25 Cb 0.14 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2oee h LEU 25 CO -0.02 0.48 0.34 0.50 -0.34 0.00 0.00 178.44 179.40 2oee h LYS 26 N 0.18 0.67 -0.70 1.25 3.64 -0.82 0.12 116.57 120.90 2oee h LYS 26 Ca 0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2oee h LYS 26 Cb 0.28 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2oee h LYS 26 CO 0.00 0.44 0.37 -0.91 -2.27 0.00 0.00 179.45 177.09 2oee h ASN 27 N 0.69 0.89 -0.60 4.20 2.35 -0.76 -0.55 115.58 121.80 2oee h ASN 27 Ca 0.20 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2oee h ASN 27 Cb -0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 2oee h ASN 27 CO -0.06 0.74 0.19 -0.07 -1.65 0.00 0.00 177.43 176.58 2oee h LEU 28 N 0.97 0.87 -0.41 1.61 3.38 -1.12 0.07 115.31 120.68 2oee h LEU 28 Ca 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2oee h LEU 28 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2oee h LEU 28 CO -0.04 0.84 0.24 0.22 0.09 0.00 0.00 178.44 179.79 2oee h TYR 29 N 0.85 0.54 -0.43 1.13 3.20 -0.72 -0.54 116.97 121.01 2oee h TYR 29 Ca 0.19 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.93 2oee h TYR 29 Cb 0.28 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2oee h TYR 29 CO 0.02 0.40 -0.25 -0.44 -1.64 0.00 0.00 178.16 176.25 2oee h ASP 30 N 0.53 0.92 -0.33 -2.11 3.32 -0.95 -1.42 116.42 116.38 2oee h ASP 30 Ca 0.15 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2oee h ASP 30 Cb 0.02 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2oee h ASP 30 CO -0.03 1.11 0.19 -0.08 -1.72 0.00 0.00 179.24 178.72 2oee h GLU 31 N 0.76 0.45 -0.59 3.56 4.81 -0.82 0.32 114.58 123.07 2oee h GLU 31 Ca 0.10 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2oee h GLU 31 Cb 0.80 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 2oee h GLU 31 CO 0.07 0.35 0.30 0.28 -0.73 0.00 0.00 179.01 179.28 2oee h VAL 32 N 0.42 1.20 0.00 0.32 2.07 -1.03 -2.76 116.25 116.47 2oee h VAL 32 Ca 0.12 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 2oee h VAL 32 Cb 0.02 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2oee h VAL 32 CO -0.02 0.23 -0.27 0.78 0.02 0.00 0.00 177.57 178.31 2oee h ASN 33 N 0.80 0.00 1.35 0.57 -0.26 -0.91 -2.51 115.58 114.61 2oee h ASN 33 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 2oee h ASN 33 Cb 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 2oee h ASN 33 CO -0.03 0.27 0.00 0.00 -1.06 0.00 0.00 177.43 176.61 2oee h ALA 34 N 1.73 1.00 -2.26 -0.83 0.00 -0.69 -3.42 119.26 114.79 2oee h ALA 34 Ca -0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 2oee h ALA 34 Cb 0.67 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.27 2oee h ALA 34 CO 0.03 0.00 -0.13 0.34 0.00 0.00 0.00 179.25 179.49 2oee s ASP 35 N -4.83 6.20 0.22 0.00 -1.08 -0.97 -4.98 116.67 111.23 2oee s ASP 35 Ca 0.08 -0.88 -0.08 0.00 -0.52 0.00 0.00 52.55 51.15 2oee s ASP 35 Cb 0.10 -2.24 0.34 0.00 -1.46 0.00 0.00 42.92 39.66 2oee s ASP 35 CO 0.56 -0.71 1.75 -0.08 0.52 0.00 0.00 175.17 177.21 2oee h GLU 36 N 8.83 0.46 -0.19 4.34 4.81 -1.82 0.25 114.58 131.26 2oee h GLU 36 Ca -0.27 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 2oee h GLU 36 Cb 1.10 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2oee h GLU 36 CO 0.87 0.30 0.01 0.77 -0.73 0.00 0.00 179.01 180.24 2oee h SER 37 N 0.47 0.31 -0.42 1.04 0.02 -1.93 -2.89 113.55 110.16 2oee h SER 37 Ca 0.34 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2oee h SER 37 Cb 0.43 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2oee h SER 37 CO -0.32 0.52 -0.12 0.00 -1.14 0.00 0.00 176.83 175.77 2oee h ALA 38 N 0.80 0.58 -0.28 3.77 0.00 -1.69 -3.10 119.26 119.34 2oee h ALA 38 Ca 0.05 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2oee h ALA 38 Cb 0.35 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2oee h ALA 38 CO 0.01 0.48 -0.16 -0.22 0.00 0.00 0.00 179.25 179.36 2oee h LYS 39 N 0.65 -0.12 -0.23 0.00 3.64 -0.25 0.05 116.57 120.31 2oee h LYS 39 Ca 0.10 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2oee h LYS 39 Cb 0.66 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2oee h LYS 39 CO 0.05 -0.08 0.00 -2.13 -2.27 0.00 0.00 179.45 175.02 2oee n ARG 40 N -5.32 0.00 0.00 1.90 0.63 -1.09 -0.65 116.66 112.12 2oee n ARG 40 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2oee n ARG 40 Cb 0.24 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 32.13 2oee n ARG 40 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2oee n PHE 42 N 0.52 0.00 -0.17 -0.14 7.35 0.00 -1.51 117.46 123.52 2oee n PHE 42 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 2oee n PHE 42 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2oee n PHE 42 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2oee h GLU 43 N 0.00 0.75 -0.26 -4.13 5.08 -1.11 -0.05 114.58 114.85 2oee h GLU 43 Ca 0.00 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2oee h GLU 43 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2oee h GLU 43 CO 0.00 0.71 -0.12 -0.97 -1.00 0.00 0.00 179.01 177.64 2oee h ASN 44 N 0.64 0.42 0.49 1.42 -0.73 -1.51 -0.33 115.58 115.98 2oee h ASN 44 Ca 0.15 -0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 2oee h ASN 44 Cb 0.28 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.77 2oee h ASN 44 CO -0.00 0.57 -0.24 0.15 -0.37 0.00 0.00 177.43 177.54 2oee h PHE 45 N 0.41 -0.62 -0.84 0.67 3.57 -1.77 -0.82 116.94 117.54 2oee h PHE 45 Ca 0.08 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.70 2oee h PHE 45 Cb 0.45 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.31 2oee h PHE 45 CO 0.01 -0.33 0.45 0.00 -2.23 0.00 0.00 178.31 176.21 2oee h ARG 46 N -0.78 0.65 -0.03 1.11 3.08 -0.79 -2.96 114.38 114.66 2oee h ARG 46 Ca -0.07 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2oee h ARG 46 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2oee h ARG 46 CO 0.11 0.43 -0.07 -0.44 -1.07 0.00 0.00 179.97 178.94 2oee h ASP 47 N 0.67 0.11 -0.99 7.04 5.19 -1.02 -3.04 116.42 124.38 2oee h ASP 47 Ca 0.45 -0.57 0.20 0.00 -0.62 0.00 0.00 57.03 56.48 2oee h ASP 47 Cb 0.57 -0.03 -0.11 0.00 0.18 0.00 0.00 39.33 39.94 2oee h ASP 47 CO -0.33 0.66 0.59 0.58 -3.12 0.00 0.00 179.24 177.63 2oee h VAL 48 N -0.43 0.66 0.00 -1.35 2.07 -1.11 -2.47 116.25 113.62 2oee h VAL 48 Ca 0.00 -0.24 -0.63 0.00 0.82 0.00 0.00 66.70 66.65 2oee h VAL 48 Cb 0.65 -0.11 0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2oee h VAL 48 CO 0.01 0.13 2.70 0.00 0.02 0.00 0.00 177.57 180.43 2oee n GLN 49 N -4.81 2.13 -0.06 1.57 6.02 -1.12 -5.02 117.38 116.09 2oee n GLN 49 Ca 0.24 -2.02 0.12 0.00 -0.01 0.00 0.00 57.00 55.33 2oee n GLN 49 Cb 0.60 -2.94 0.27 0.00 1.02 0.00 0.00 30.24 29.19 2oee n GLN 49 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2oee n LEU 50 N 6.30 2.57 0.00 1.08 0.00 -0.94 -4.97 117.00 121.04 2oee n LEU 50 Ca 0.52 -0.96 0.00 0.00 0.00 0.00 0.00 56.01 55.57 2oee n LEU 50 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 43.42 43.69 2oee n LEU 50 CO 0.94 0.48 0.00 1.67 0.00 0.00 0.00 177.39 180.47 2oee n GLN 69 N 0.96 0.00 0.00 1.96 -0.06 -1.26 -5.20 117.38 113.78 2oee n GLN 69 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.17 2oee n GLN 69 Cb 0.51 -0.28 0.00 0.00 -4.06 0.00 0.00 30.24 26.40 2oee n GLN 69 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2oee n ALA 70 N 0.00 0.00 1.15 1.69 0.00 -1.26 -2.13 120.51 119.96 2oee n ALA 70 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2oee n ALA 70 Cb 0.00 0.25 0.21 0.00 0.00 0.00 0.00 19.45 19.90 2oee n ALA 70 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2oee n GLN 71 N -2.12 1.56 0.00 0.00 0.00 -1.26 0.20 117.38 115.75 2oee n GLN 71 Ca 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 57.00 55.83 2oee n GLN 71 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.76 2oee n GLN 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2oee n LYS 72 N 0.30 0.00 -0.40 3.69 4.81 -1.26 -4.37 118.16 120.93 2oee n LYS 72 Ca 0.13 0.00 0.34 0.00 -0.87 0.00 0.00 58.31 57.91 2oee n LYS 72 Cb 0.46 0.00 0.56 0.00 0.02 0.00 0.00 35.03 36.07 2oee n LYS 72 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2oee n THR 73 N 0.00 -0.18 -0.12 3.15 -1.04 0.52 -2.13 114.28 114.48 2oee n THR 73 Ca 0.00 1.42 0.00 0.00 -2.04 0.00 0.00 64.05 63.43 2oee n THR 73 Cb 0.00 -2.33 0.27 0.00 -1.82 0.00 0.00 70.33 66.45 2oee n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2oee h VAL 74 N 0.00 1.18 -0.31 12.58 2.07 -1.61 -2.71 116.25 127.46 2oee h VAL 74 Ca 0.71 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 2oee h VAL 74 Cb 2.38 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2oee h VAL 74 CO -0.33 0.21 -0.03 0.00 0.02 0.00 0.00 177.57 177.45 2oee h ALA 75 N 1.52 0.41 -0.61 1.67 0.00 -1.64 -1.30 119.26 119.31 2oee h ALA 75 Ca 0.20 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2oee h ALA 75 Cb 0.06 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 2oee h ALA 75 CO -0.03 0.19 -0.53 1.25 0.00 0.00 0.00 179.25 180.14 2oee h LEU 76 N 0.34 -1.83 -0.42 0.00 5.85 -1.50 -2.93 115.31 114.82 2oee h LEU 76 Ca 0.08 0.26 -0.18 0.00 0.84 0.00 0.00 57.88 58.88 2oee h LEU 76 Cb 0.48 0.78 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2oee h LEU 76 CO 0.02 -0.30 -0.75 -0.37 -0.34 0.00 0.00 178.44 176.70 2oee h VAL 77 N -0.21 1.41 0.00 1.05 -1.51 -1.37 -3.02 116.25 112.61 2oee h VAL 77 Ca 0.10 -2.25 -0.02 0.00 -1.23 0.00 0.00 66.70 63.30 2oee h VAL 77 Cb 0.47 2.20 -0.00 0.00 -2.13 0.00 0.00 31.29 31.83 2oee h VAL 77 CO -0.68 0.67 -0.11 1.56 -1.23 0.00 0.00 177.57 177.77 2oee h GLN 78 N 0.20 0.00 0.00 5.19 4.20 -1.18 -2.13 115.11 121.39 2oee h GLN 78 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2oee h GLN 78 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2oee h GLN 78 CO 0.12 0.11 0.00 0.00 -0.67 0.00 0.00 178.83 178.39 2oee n GLN 79 N -3.66 0.27 -3.53 1.46 10.64 -1.11 -4.62 117.38 116.83 2oee n GLN 79 Ca -0.02 0.07 -0.39 0.00 -1.83 0.00 0.00 57.00 54.83 2oee n GLN 79 Cb 0.23 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 28.00 2oee n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2oee s HIS 80 N -2.66 3.22 0.11 2.61 2.46 -0.80 -5.01 115.29 115.23 2oee s HIS 80 Ca 0.20 -0.03 -0.22 0.00 0.47 0.00 0.00 55.06 55.47 2oee s HIS 80 Cb 0.16 -2.47 -0.08 0.00 -0.13 0.00 0.00 32.58 30.06 2oee s HIS 80 CO 0.37 -0.29 1.70 1.49 -2.47 0.00 0.00 174.74 175.55 2oee h GLU 81 N 8.43 -0.10 -0.33 2.88 4.57 -1.85 -1.04 114.58 127.15 2oee h GLU 81 Ca -0.33 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.82 2oee h GLU 81 Cb 1.17 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 2oee h GLU 81 CO 0.61 -0.06 0.03 -0.22 -1.18 0.00 0.00 179.01 178.19 2oee h LYS 82 N -0.10 0.55 -0.72 1.92 3.11 -1.94 -1.20 116.57 118.18 2oee h LYS 82 Ca 0.05 -0.16 0.01 0.00 -2.81 0.00 0.00 60.65 57.74 2oee h LYS 82 Cb 0.17 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.31 2oee h LYS 82 CO -0.12 0.66 0.47 0.82 -2.81 0.00 0.00 179.45 178.47 2oee h ILE 83 N 0.37 1.19 -0.62 2.00 2.04 -1.84 -1.87 117.51 118.78 2oee h ILE 83 Ca 0.10 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 2oee h ILE 83 Cb 0.39 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2oee h ILE 83 CO 0.01 0.18 0.15 0.28 0.00 0.00 0.00 178.15 178.78 2oee h SER 84 N 0.98 0.90 -0.53 1.72 0.02 -0.57 -2.69 113.55 113.38 2oee h SER 84 Ca 0.26 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2oee h SER 84 Cb -0.10 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 2oee h SER 84 CO -0.06 0.87 0.25 1.56 -1.14 0.00 0.00 176.83 178.31 2oee h GLN 85 N 0.92 0.76 -0.20 3.45 4.20 -0.72 0.16 115.11 123.67 2oee h GLN 85 Ca 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2oee h GLN 85 Cb 0.32 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2oee h GLN 85 CO -0.00 0.63 0.00 -0.11 -0.67 0.00 0.00 178.83 178.68 2oee n LEU 86 N -4.58 0.00 0.00 1.46 7.94 -0.75 -0.88 117.00 120.19 2oee n LEU 86 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2oee n LEU 86 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2oee n LEU 86 CO 0.37 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.03 2oee n GLU 88 N 0.54 0.00 -0.37 1.96 1.02 0.55 -0.41 120.64 123.92 2oee n GLU 88 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 2oee n GLU 88 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.54 2oee n GLU 88 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2oee h ALA 89 N 0.00 1.29 -0.28 0.62 0.00 -1.26 -0.45 119.26 119.17 2oee h ALA 89 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2oee h ALA 89 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 2oee h ALA 89 CO 0.00 0.62 0.05 0.93 0.00 0.00 0.00 179.25 180.85 2oee h GLU 90 N 1.33 0.15 -0.66 0.00 5.08 -1.00 -3.08 114.58 116.40 2oee h GLU 90 Ca 0.38 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.66 2oee h GLU 90 Cb -0.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2oee h GLU 90 CO -0.10 0.10 0.13 0.37 -1.00 0.00 0.00 179.01 178.52 2oee h GLN 91 N 0.15 1.07 -1.86 2.33 5.75 -1.73 -0.35 115.11 120.47 2oee h GLN 91 Ca 0.13 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 2oee h GLN 91 Cb 0.14 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.56 2oee h GLN 91 CO -0.18 0.97 0.00 0.54 -2.65 0.00 0.00 178.83 177.51 2oee n ARG 92 N -4.27 0.14 -0.67 1.69 1.74 -0.21 -4.64 116.66 110.44 2oee n ARG 92 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2oee n ARG 92 Cb 0.27 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2oee n ARG 92 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2oee n SER 94 N 0.93 -0.14 0.00 0.55 2.88 -0.15 -4.67 113.62 113.02 2oee n SER 94 Ca 0.00 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2oee n SER 94 Cb 0.07 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2oee n SER 94 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2oee n LEU 96 N -0.47 0.00 -0.26 2.46 7.94 -1.26 -1.09 117.00 124.32 2oee n LEU 96 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 2oee n LEU 96 Cb 0.07 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.08 2oee n LEU 96 CO 0.00 0.00 1.13 0.40 -1.11 0.00 0.00 177.39 177.81 2oee h ILE 97 N 0.00 1.21 -0.46 1.96 1.08 -1.96 -0.30 117.51 119.04 2oee h ILE 97 Ca 0.00 -0.48 0.07 0.00 -0.39 0.00 0.00 64.86 64.07 2oee h ILE 97 Cb 0.00 0.23 -0.06 0.00 -3.07 0.00 0.00 36.82 33.92 2oee h ILE 97 CO 0.00 0.22 0.09 1.23 -0.69 0.00 0.00 178.15 179.00 2oee h GLY 98 N 0.98 0.55 0.94 5.37 0.00 -1.50 -0.91 103.07 108.49 2oee h GLY 98 Ca 0.26 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.58 2oee h GLY 98 CO -0.05 -0.05 0.32 0.83 0.00 0.00 0.00 176.54 177.59 2oee h GLU 99 N 0.23 0.62 -0.75 4.80 4.39 -1.65 -1.01 114.58 121.20 2oee h GLU 99 Ca 0.23 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2oee h GLU 99 Cb 0.29 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2oee h GLU 99 CO -0.30 0.41 0.48 -0.07 -1.16 0.00 0.00 179.01 178.38 2oee h LEU 100 N 0.64 0.87 -0.04 1.33 3.38 -0.72 -0.58 115.31 120.20 2oee h LEU 100 Ca 0.19 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2oee h LEU 100 Cb -0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2oee h LEU 100 CO -0.07 0.65 0.02 0.78 0.09 0.00 0.00 178.44 179.91 2oee h ASN 101 N 1.02 0.05 -0.83 -0.43 2.35 -0.85 -1.42 115.58 115.47 2oee h ASN 101 Ca 0.27 -0.09 0.12 0.00 -0.55 0.00 0.00 56.30 56.06 2oee h ASN 101 Cb -0.09 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.18 2oee h ASN 101 CO -0.06 0.12 0.44 0.11 -1.65 0.00 0.00 177.43 176.40 2oee h LYS 102 N -0.03 0.66 0.62 0.81 1.57 -0.97 -2.96 116.57 116.28 2oee h LYS 102 Ca 0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2oee h LYS 102 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2oee h LYS 102 CO -0.00 0.44 -0.33 0.82 -0.57 0.00 0.00 179.45 179.80 2oee h ILE 103 N 0.68 0.32 0.00 1.86 2.04 -0.72 -2.96 117.51 118.73 2oee h ILE 103 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.29 2oee h ILE 103 Cb 0.52 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2oee h ILE 103 CO -0.31 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.14 2oee n ILE 104 N -5.48 1.04 0.00 -0.67 -5.35 -0.57 -4.67 119.36 103.66 2oee n ILE 104 Ca -0.13 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2oee n ILE 104 Cb 0.37 -1.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.10 2oee n ILE 104 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2oee n LYS 106 N 1.46 0.00 0.03 6.28 3.00 -1.12 -4.78 118.16 123.03 2oee n LYS 106 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.47 2oee n LYS 106 Cb 0.30 -0.01 0.63 0.00 0.00 0.00 0.00 35.03 35.95 2oee n LYS 106 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2oee h PRO 107 N 0.00 0.11 -0.16 1.64 0.13 -1.92 -0.47 132.00 131.33 2oee h PRO 107 Ca 0.00 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 2oee h PRO 107 Cb 0.00 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.10 2oee h PRO 107 CO 0.00 0.07 -0.23 -0.07 -0.23 0.00 0.00 178.00 177.54 2oee h LEU 108 N 0.11 0.48 -0.76 1.56 3.38 -1.98 -2.37 115.31 115.74 2oee h LEU 108 Ca 0.21 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.71 2oee h LEU 108 Cb 0.70 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2oee h LEU 108 CO -0.02 0.91 0.47 -0.08 0.09 0.00 0.00 178.44 179.81 2oee h GLU 109 N 0.07 0.86 -0.68 1.13 4.81 -1.79 -1.94 114.58 117.05 2oee h GLU 109 Ca 0.02 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2oee h GLU 109 Cb 0.80 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2oee h GLU 109 CO 0.05 0.57 0.43 0.93 -0.73 0.00 0.00 179.01 180.26 2oee h GLU 110 N 0.89 0.81 -0.42 1.92 5.08 -1.06 -3.06 114.58 118.74 2oee h GLU 110 Ca 0.32 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2oee h GLU 110 Cb 0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2oee h GLU 110 CO -0.14 0.54 0.21 1.25 -1.00 0.00 0.00 179.01 179.87 2oee h LEU 111 N 0.84 0.54 -0.88 1.33 5.85 -0.83 -3.52 115.31 118.65 2oee h LEU 111 Ca 0.27 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2oee h LEU 111 Cb 0.02 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2oee h LEU 111 CO -0.11 0.50 0.00 -1.22 -0.34 0.00 0.00 178.44 177.28