#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2keo s LYS 22 N 0.00 4.51 -0.33 3.44 0.00 -1.26 -5.02 119.74 121.08 2keo s LYS 22 Ca 0.00 1.50 -0.26 0.00 0.00 0.00 0.00 55.97 57.21 2keo s LYS 22 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 37.83 34.97 2keo s LYS 22 CO 0.00 0.17 0.91 0.54 0.00 0.00 0.00 175.35 176.97 2keo s VAL 23 N -1.48 4.65 -0.47 1.79 0.11 -1.26 -5.02 120.40 118.73 2keo s VAL 23 Ca 0.50 1.34 -0.27 0.00 -2.93 0.00 0.00 61.98 60.62 2keo s VAL 23 Cb -0.23 -4.28 0.03 0.00 -1.53 0.00 0.00 36.38 30.37 2keo s VAL 23 CO 0.29 -0.40 1.03 -0.89 -3.33 0.00 0.00 175.10 171.80 2keo s THR 24 N 3.30 4.35 -0.42 5.04 2.01 -1.26 -4.97 115.64 123.69 2keo s THR 24 Ca 0.38 0.98 -0.24 0.00 0.31 0.00 0.00 61.69 63.11 2keo s THR 24 Cb -0.13 -4.51 0.02 0.00 0.01 0.00 0.00 72.50 67.88 2keo s THR 24 CO 0.15 -0.92 0.83 -0.76 -0.69 0.00 0.00 174.62 173.23 2keo s LEU 25 N 4.08 4.13 -0.20 4.42 1.43 -1.26 -1.37 118.68 129.91 2keo s LEU 25 Ca 0.42 0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 2keo s LEU 25 Cb -0.09 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 2keo s LEU 25 CO 0.29 -0.88 0.38 -0.69 0.23 0.00 0.00 176.35 175.68 2keo s VAL 26 N 3.35 5.22 0.53 -1.59 1.01 -0.40 -4.85 120.40 123.65 2keo s VAL 26 Ca 0.33 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.98 2keo s VAL 26 Cb -0.12 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2keo s VAL 26 CO 0.21 0.27 0.76 0.00 0.00 0.00 0.00 175.10 176.34 2keo s ARG 27 N 1.20 2.74 0.28 2.72 1.70 -1.26 -1.80 118.95 124.53 2keo s ARG 27 Ca 0.18 -0.59 0.03 0.00 -0.47 0.00 0.00 55.73 54.88 2keo s ARG 27 Cb -0.15 -2.48 0.42 0.00 -0.57 0.00 0.00 34.95 32.17 2keo s ARG 27 CO 0.07 -0.58 1.72 0.97 -1.08 0.00 0.00 175.30 176.40 2keo h ILE 28 N 0.13 1.27 -0.36 4.99 2.10 -1.98 -2.50 117.51 121.16 2keo h ILE 28 Ca -0.44 -1.32 0.00 0.00 1.08 0.00 0.00 64.86 64.19 2keo h ILE 28 Cb 1.28 1.42 -0.02 0.00 -1.09 0.00 0.00 36.82 38.41 2keo h ILE 28 CO 0.55 0.41 0.24 0.00 -1.08 0.00 0.00 178.15 178.27 2keo h ALA 29 N 1.32 1.75 -0.14 0.18 0.00 -1.95 -1.71 119.26 118.71 2keo h ALA 29 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2keo h ALA 29 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2keo h ALA 29 CO 0.05 0.23 -0.35 0.22 0.00 0.00 0.00 179.25 179.40 2keo h ASP 30 N 0.48 0.55 0.11 0.00 3.58 -1.85 -3.11 116.42 116.17 2keo h ASP 30 Ca 0.13 -0.58 0.01 0.00 0.42 0.00 0.00 57.03 57.01 2keo h ASP 30 Cb -0.05 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 2keo h ASP 30 CO -0.03 1.03 -0.16 -0.07 -2.88 0.00 0.00 179.24 177.13 2keo h LEU 31 N 0.09 -0.45 -0.08 2.28 3.38 -1.15 -1.99 115.31 117.38 2keo h LEU 31 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2keo h LEU 31 Cb 0.97 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2keo h LEU 31 CO 0.08 -0.24 0.03 -0.33 0.09 0.00 0.00 178.44 178.06 2keo h GLU 32 N -0.33 0.12 -0.34 1.13 4.39 -1.44 -0.01 114.58 118.10 2keo h GLU 32 Ca 0.02 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2keo h GLU 32 Cb 0.34 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2keo h GLU 32 CO -0.08 0.28 0.02 -0.91 -1.16 0.00 0.00 179.01 177.17 2keo h ASN 33 N -0.05 0.48 0.29 1.42 2.35 -1.58 -2.38 115.58 116.10 2keo h ASN 33 Ca 0.03 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 2keo h ASN 33 Cb 0.20 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2keo h ASN 33 CO -0.00 0.53 -0.72 -0.74 -1.65 0.00 0.00 177.43 174.85 2keo h HIS 34 N 0.50 0.50 -0.92 1.19 2.76 -1.07 -2.95 115.15 115.15 2keo h HIS 34 Ca 0.11 -0.22 -0.00 0.00 -2.20 0.00 0.00 60.37 58.06 2keo h HIS 34 Cb 0.29 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 2keo h HIS 34 CO 0.01 0.97 0.57 -0.97 -1.30 0.00 0.00 177.93 177.21 2keo h ASN 35 N 0.25 1.09 0.66 3.26 -1.24 -0.61 -2.43 115.58 116.56 2keo h ASN 35 Ca -0.03 -0.06 -0.07 0.00 0.71 0.00 0.00 56.30 56.86 2keo h ASN 35 Cb 1.29 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.05 2keo h ASN 35 CO 0.12 0.83 -0.31 0.78 -1.29 0.00 0.00 177.43 177.56 2keo h ASN 36 N 1.26 0.00 1.01 1.15 2.35 -1.33 -1.98 115.58 118.05 2keo h ASN 36 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2keo h ASN 36 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2keo h ASN 36 CO -0.06 0.31 0.00 0.44 -1.65 0.00 0.00 177.43 176.47 2keo h ASP 37 N 0.00 0.00 0.00 5.81 3.32 -1.30 -3.46 116.42 120.78 2keo h ASP 37 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2keo h ASP 37 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2keo h ASP 37 CO 0.04 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 2keo n GLY 38 N 0.03 2.33 3.56 2.75 0.00 -0.74 -5.05 105.19 108.06 2keo n GLY 38 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2keo n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2keo s GLY 39 N -2.15 0.56 -0.43 -0.02 0.00 -0.95 -4.96 107.32 99.37 2keo s GLY 39 Ca 0.00 -1.60 -0.29 0.00 0.00 0.00 0.00 44.72 42.83 2keo s GLY 39 CO 0.00 3.17 1.22 -0.12 0.00 0.00 0.00 173.10 177.37 2keo s PHE 40 N 8.07 2.72 0.48 1.90 5.36 -1.26 -3.14 117.98 132.11 2keo s PHE 40 Ca 0.60 0.75 0.08 0.00 -0.96 0.00 0.00 56.93 57.40 2keo s PHE 40 Cb -0.06 -4.31 0.02 0.00 -0.34 0.00 0.00 43.02 38.34 2keo s PHE 40 CO 0.01 -1.46 0.50 -1.58 -1.46 0.00 0.00 175.22 171.23 2keo s TRP 41 N 4.66 2.16 0.15 10.12 0.51 -1.26 -2.06 118.94 133.21 2keo s TRP 41 Ca 0.52 -0.62 -0.13 0.00 -2.12 0.00 0.00 56.10 53.75 2keo s TRP 41 Cb -0.10 -2.14 0.01 0.00 -0.81 0.00 0.00 33.47 30.43 2keo s TRP 41 CO 0.30 -0.48 0.36 -0.08 -0.51 0.00 0.00 176.95 176.54 2keo s THR 42 N -2.58 0.07 -0.23 2.01 -1.32 -0.79 -4.90 115.64 107.89 2keo s THR 42 Ca 0.48 -0.99 0.02 0.00 -1.21 0.00 0.00 61.69 60.00 2keo s THR 42 Cb -0.04 -1.52 0.05 0.00 -1.51 0.00 0.00 72.50 69.47 2keo s THR 42 CO 0.29 -0.31 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.56 2keo s VAL 43 N -3.88 2.16 -0.03 5.08 1.01 -1.26 -1.14 120.40 122.35 2keo s VAL 43 Ca 0.09 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 60.70 2keo s VAL 43 Cb 0.02 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2keo s VAL 43 CO -0.06 0.17 -0.04 -0.63 0.00 0.00 0.00 175.10 174.55 2keo s ILE 44 N 1.17 0.40 -1.51 2.22 1.01 -0.48 -4.78 121.20 119.23 2keo s ILE 44 Ca -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 2keo s ILE 44 Cb -0.18 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.88 2keo s ILE 44 CO -0.08 0.17 0.03 -0.67 0.00 0.00 0.00 174.94 174.39 2keo n ASP 45 N 3.66 -5.22 -1.90 3.58 2.03 -1.26 -1.75 116.55 115.71 2keo n ASP 45 Ca -0.21 -0.03 -0.19 0.00 0.52 0.00 0.00 54.79 54.88 2keo n ASP 45 Cb 0.53 -4.28 -0.03 0.00 -0.72 0.00 0.00 41.12 36.62 2keo n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2keo n GLY 46 N -1.04 0.38 3.23 0.27 0.00 -1.26 -5.01 105.19 101.75 2keo n GLY 46 Ca -0.20 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 2keo n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2keo s LYS 47 N -4.47 2.51 -0.44 1.61 -0.14 -0.72 -1.25 119.74 116.85 2keo s LYS 47 Ca 0.00 -0.84 -0.26 0.00 -1.36 0.00 0.00 55.97 53.51 2keo s LYS 47 Cb 0.00 -2.08 0.02 0.00 -1.68 0.00 0.00 37.83 34.10 2keo s LYS 47 CO 0.00 0.31 0.93 0.08 -0.76 0.00 0.00 175.35 175.91 2keo s VAL 48 N -0.01 4.49 0.09 3.17 1.01 -0.48 -1.38 120.40 127.29 2keo s VAL 48 Ca -0.07 0.88 0.05 0.00 0.00 0.00 0.00 61.98 62.83 2keo s VAL 48 Cb -0.14 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2keo s VAL 48 CO 0.05 -0.77 0.01 -0.31 0.00 0.00 0.00 175.10 174.08 2keo s TYR 49 N 3.71 3.01 0.08 5.22 2.02 -0.29 -0.69 117.35 130.40 2keo s TYR 49 Ca 0.38 -0.02 -0.21 0.00 -0.37 0.00 0.00 57.07 56.85 2keo s TYR 49 Cb -0.10 -1.54 -0.07 0.00 -0.40 0.00 0.00 41.96 39.85 2keo s TYR 49 CO 0.25 0.49 0.62 0.34 -1.57 0.00 0.00 175.55 175.67 2keo s ASP 50 N -2.34 7.11 -0.05 2.29 -1.08 -0.46 -1.89 116.67 120.25 2keo s ASP 50 Ca 0.26 1.32 0.00 0.00 -0.52 0.00 0.00 52.55 53.62 2keo s ASP 50 Cb -0.12 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.92 2keo s ASP 50 CO 0.19 0.23 -0.04 -0.38 0.52 0.00 0.00 175.17 175.68 2keo n ILE 51 N 1.90 0.27 0.10 4.11 2.08 -0.88 -4.08 119.36 122.86 2keo n ILE 51 Ca -0.09 -0.10 -0.02 0.00 0.56 0.00 0.00 62.75 63.10 2keo n ILE 51 Cb 0.50 -0.68 0.22 0.00 -0.75 0.00 0.00 39.64 38.93 2keo n ILE 51 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 2keo h LYS 52 N -0.00 0.23 0.01 0.38 5.09 -1.91 -2.31 116.57 118.05 2keo h LYS 52 Ca -0.11 -0.11 -0.25 0.00 0.09 0.00 0.00 60.65 60.27 2keo h LYS 52 Cb 1.16 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.51 2keo h LYS 52 CO -0.02 0.62 -1.01 0.22 -2.09 0.00 0.00 179.45 177.18 2keo h ASP 53 N 0.19 0.72 -0.35 7.07 3.58 -1.88 -3.26 116.42 122.49 2keo h ASP 53 Ca 0.01 -0.58 0.06 0.00 0.42 0.00 0.00 57.03 56.94 2keo h ASP 53 Cb 0.84 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 2keo h ASP 53 CO 0.07 1.39 0.05 0.15 -2.88 0.00 0.00 179.24 178.01 2keo h PHE 54 N 0.31 0.07 0.00 0.28 3.57 -1.62 -1.26 116.94 118.29 2keo h PHE 54 Ca -0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 2keo h PHE 54 Cb 1.65 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2keo h PHE 54 CO 0.08 -0.01 -0.36 -0.56 -2.23 0.00 0.00 178.31 175.24 2keo h GLN 55 N 0.16 0.00 -0.48 1.11 3.07 -1.57 -1.61 115.11 115.79 2keo h GLN 55 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.81 2keo h GLN 55 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.75 2keo h GLN 55 CO -0.24 0.36 -0.11 1.15 0.09 0.00 0.00 178.83 180.08 2keo h THR 56 N 0.00 1.26 0.00 1.86 2.02 -1.37 -1.82 112.91 114.86 2keo h THR 56 Ca -0.00 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.97 2keo h THR 56 Cb 0.77 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2keo h THR 56 CO 0.05 0.42 0.00 1.56 0.37 0.00 0.00 175.52 177.92 2keo h GLN 57 N 0.79 0.00 -0.00 6.66 1.08 -0.75 -2.69 115.11 120.19 2keo h GLN 57 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2keo h GLN 57 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2keo h GLN 57 CO 0.04 0.00 -0.53 0.45 -0.95 0.00 0.00 178.83 177.84 2keo n SER 58 N -2.35 0.54 -0.06 1.46 2.88 -0.65 -4.08 113.62 111.36 2keo n SER 58 Ca 0.04 -0.31 0.14 0.00 -1.33 0.00 0.00 58.87 57.41 2keo n SER 58 Cb 0.37 0.30 0.64 0.00 -0.75 0.00 0.00 64.21 64.76 2keo n SER 58 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2keo n LEU 59 N -1.48 0.28 -4.42 2.46 7.94 -0.72 -4.34 117.00 116.72 2keo n LEU 59 Ca 0.06 0.14 -0.28 0.00 -1.11 0.00 0.00 56.01 54.82 2keo n LEU 59 Cb 0.34 -0.25 -0.12 0.00 0.53 0.00 0.00 43.42 43.92 2keo n LEU 59 CO 0.35 0.05 -0.54 0.28 -1.11 0.00 0.00 177.39 176.43 2keo s THR 60 N -2.59 2.39 -0.07 1.96 -1.32 -1.26 -5.08 115.64 109.68 2keo s THR 60 Ca 0.26 -1.90 -0.25 0.00 -1.21 0.00 0.00 61.69 58.59 2keo s THR 60 Cb 0.20 -2.12 -0.21 0.00 -1.51 0.00 0.00 72.50 68.86 2keo s THR 60 CO 0.49 -0.04 1.00 -0.08 -2.21 0.00 0.00 174.62 173.78 2keo h GLU 61 N 3.43 -0.04 -4.51 7.08 4.57 -1.91 -3.38 114.58 119.82 2keo h GLU 61 Ca -0.48 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.02 2keo h GLU 61 Cb 1.19 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 2keo h GLU 61 CO 0.45 0.59 2.74 -1.71 -1.18 0.00 0.00 179.01 179.90 2keo n ASN 62 N -4.79 3.86 -3.56 1.04 5.15 -1.26 -4.71 115.26 110.99 2keo n ASN 62 Ca -0.09 -2.83 -0.15 0.00 -0.60 0.00 0.00 54.58 50.92 2keo n ASN 62 Cb 0.32 -1.60 -0.06 0.00 -0.53 0.00 0.00 39.78 37.91 2keo n ASN 62 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2keo s SER 63 N 3.81 -0.57 0.58 1.20 0.01 -1.26 -5.03 113.70 112.43 2keo s SER 63 Ca 0.51 0.75 0.37 0.00 1.31 0.00 0.00 55.95 58.89 2keo s SER 63 Cb 0.11 0.64 1.67 0.00 0.21 0.00 0.00 66.02 68.66 2keo s SER 63 CO -0.02 -0.44 2.09 0.16 0.41 0.00 0.00 173.24 175.45 2keo h ILE 64 N 3.08 0.00 -0.38 1.44 3.07 -1.87 -2.83 117.51 120.02 2keo h ILE 64 Ca -0.25 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.80 2keo h ILE 64 Cb 1.15 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2keo h ILE 64 CO 0.29 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.57 2keo n LEU 65 N -3.07 2.38 0.25 0.16 4.77 -1.26 -4.01 117.00 116.21 2keo n LEU 65 Ca -0.00 -1.13 0.12 0.00 -0.03 0.00 0.00 56.01 54.97 2keo n LEU 65 Cb 0.24 -0.25 0.62 0.00 -2.33 0.00 0.00 43.42 41.69 2keo n LEU 65 CO 0.25 0.56 0.90 0.00 -1.33 0.00 0.00 177.39 177.78 2keo h ALA 66 N 3.98 1.10 0.00 -1.18 0.00 -1.69 -1.41 119.26 120.06 2keo h ALA 66 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2keo h ALA 66 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2keo h ALA 66 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.44 2keo n GLN 67 N -3.42 0.09 -0.41 0.00 10.64 -1.26 -3.13 117.38 119.90 2keo n GLN 67 Ca -0.01 0.19 0.08 0.00 -1.83 0.00 0.00 57.00 55.43 2keo n GLN 67 Cb 0.33 -1.63 0.23 0.00 -0.86 0.00 0.00 30.24 28.31 2keo n GLN 67 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2keo n PHE 68 N -1.80 0.77 0.26 2.61 3.72 -0.54 -4.76 117.46 117.72 2keo n PHE 68 Ca 0.05 -0.97 0.12 0.00 -0.05 0.00 0.00 57.45 56.60 2keo n PHE 68 Cb 0.29 -0.30 0.73 0.00 -0.94 0.00 0.00 39.48 39.26 2keo n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2keo h ALA 69 N 1.38 1.44 -0.17 4.37 0.00 -1.47 -1.97 119.26 122.83 2keo h ALA 69 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2keo h ALA 69 Cb 1.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2keo h ALA 69 CO 0.19 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2keo n GLY 70 N -0.92 1.24 3.91 0.00 0.00 -1.26 -4.95 105.19 103.21 2keo n GLY 70 Ca -0.02 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2keo n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2keo s GLU 71 N -0.91 3.58 0.12 1.61 2.56 -0.74 -5.07 118.70 119.85 2keo s GLU 71 Ca 0.16 -0.17 -0.31 0.00 0.00 0.00 0.00 54.97 54.65 2keo s GLU 71 Cb 0.09 -2.85 -0.10 0.00 2.00 0.00 0.00 34.13 33.27 2keo s GLU 71 CO 0.13 0.46 1.67 0.34 -0.56 0.00 0.00 175.26 177.29 2keo s ASP 72 N -2.61 6.54 0.42 -1.70 -1.08 -1.26 -4.91 116.67 112.08 2keo s ASP 72 Ca 0.40 2.61 0.12 0.00 -0.52 0.00 0.00 52.55 55.17 2keo s ASP 72 Cb -0.12 -2.58 0.99 0.00 -1.46 0.00 0.00 42.92 39.75 2keo s ASP 72 CO 0.26 -0.90 1.98 1.55 0.52 0.00 0.00 175.17 178.58 2keo h PRO 73 N 7.76 0.44 -0.05 4.34 0.13 -1.91 0.25 132.00 142.96 2keo h PRO 73 Ca -0.43 -0.03 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 2keo h PRO 73 Cb 1.21 -0.10 0.02 0.00 0.13 0.00 0.00 31.00 32.25 2keo h PRO 73 CO 0.93 0.29 -0.94 0.28 -0.23 0.00 0.00 178.00 178.33 2keo h VAL 74 N 0.46 1.29 -0.45 1.56 2.07 -1.91 -1.09 116.25 118.17 2keo h VAL 74 Ca 0.27 -2.18 -0.12 0.00 0.82 0.00 0.00 66.70 65.50 2keo h VAL 74 Cb 0.48 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2keo h VAL 74 CO -0.08 0.68 -0.19 0.58 0.02 0.00 0.00 177.57 178.57 2keo h VAL 75 N 0.42 1.27 -0.22 2.57 2.07 -1.83 -2.91 116.25 117.63 2keo h VAL 75 Ca -0.10 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.02 2keo h VAL 75 Cb 1.58 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 2keo h VAL 75 CO 0.18 0.46 -0.10 0.00 0.02 0.00 0.00 177.57 178.14 2keo h ALA 76 N 0.85 1.42 0.17 1.67 0.00 -0.99 -3.15 119.26 119.24 2keo h ALA 76 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2keo h ALA 76 Cb 0.76 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2keo h ALA 76 CO 0.06 0.40 -0.10 1.25 0.00 0.00 0.00 179.25 180.87 2keo h LEU 77 N 0.33 -0.23 -0.84 0.00 5.85 -0.99 -0.88 115.31 118.55 2keo h LEU 77 Ca 0.07 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2keo h LEU 77 Cb 0.39 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2keo h LEU 77 CO 0.02 -0.16 0.32 -0.33 -0.34 0.00 0.00 178.44 177.95 2keo h GLU 78 N -0.26 1.17 -0.61 1.25 5.08 -1.52 0.24 114.58 119.93 2keo h GLU 78 Ca -0.02 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2keo h GLU 78 Cb 0.21 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2keo h GLU 78 CO 0.03 0.94 0.26 0.00 -1.00 0.00 0.00 179.01 179.24 2keo h ALA 79 N 1.20 0.79 0.00 3.43 0.00 -1.50 -2.32 119.26 120.85 2keo h ALA 79 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2keo h ALA 79 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2keo h ALA 79 CO -0.02 0.38 -0.05 0.00 0.00 0.00 0.00 179.25 179.56 2keo h ALA 80 N 1.10 0.97 -0.16 0.00 0.00 -0.72 -1.15 119.26 119.31 2keo h ALA 80 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2keo h ALA 80 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2keo h ALA 80 CO -0.02 0.00 -0.21 -0.07 0.00 0.00 0.00 179.25 178.95 2keo h LEU 81 N 0.00 0.46 -0.51 0.00 4.07 -0.36 -2.83 115.31 116.14 2keo h LEU 81 Ca 0.00 -0.51 -0.13 0.00 0.08 0.00 0.00 57.88 57.32 2keo h LEU 81 Cb 0.88 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 2keo h LEU 81 CO 0.00 0.88 -0.61 -0.61 -1.08 0.00 0.00 178.44 177.02 2keo h GLN 82 N 0.05 0.00 -6.29 1.13 5.75 -1.33 -3.43 115.11 110.99 2keo h GLN 82 Ca 0.02 0.00 -0.58 0.00 -0.15 0.00 0.00 58.65 57.94 2keo h GLN 82 Cb 0.78 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.25 2keo h GLN 82 CO 0.05 0.61 0.75 0.12 -2.65 0.00 0.00 178.83 177.72 2keo s PHE 83 N -3.29 3.05 0.41 3.99 5.36 -0.44 -4.93 117.98 122.13 2keo s PHE 83 Ca 0.01 0.92 0.23 0.00 -0.96 0.00 0.00 56.93 57.12 2keo s PHE 83 Cb 0.11 -3.81 1.26 0.00 -0.34 0.00 0.00 43.02 40.24 2keo s PHE 83 CO 0.75 -0.89 2.02 1.05 -1.46 0.00 0.00 175.22 176.69 2keo h GLU 84 N 8.48 0.00 -0.51 10.12 4.11 -1.84 -0.82 114.58 134.12 2keo h GLU 84 Ca -0.22 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.13 2keo h GLU 84 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2keo h GLU 84 CO 1.03 0.16 0.02 0.22 0.07 0.00 0.00 179.01 180.51 2keo h ASP 85 N 0.00 0.86 0.39 3.06 1.82 -1.91 -3.32 116.42 117.32 2keo h ASP 85 Ca -0.00 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 2keo h ASP 85 Cb 0.37 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2keo h ASP 85 CO 0.02 0.94 -1.50 0.35 -1.61 0.00 0.00 179.24 177.45 2keo n THR 86 N -4.33 0.23 0.31 2.25 -2.24 -0.88 -4.31 114.28 105.30 2keo n THR 86 Ca 0.01 -0.46 0.19 0.00 -2.27 0.00 0.00 64.05 61.52 2keo n THR 86 Cb 0.30 -0.05 0.99 0.00 -2.10 0.00 0.00 70.33 69.48 2keo n THR 86 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2keo h ARG 87 N 0.00 0.00 -0.40 -0.78 0.11 -0.91 -2.82 114.38 109.58 2keo h ARG 87 Ca 0.00 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.15 2keo h ARG 87 Cb 0.94 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.96 2keo h ARG 87 CO 0.00 0.02 0.04 1.05 0.10 0.00 0.00 179.97 181.18 2keo h GLU 88 N 0.00 0.15 0.00 0.08 4.11 -1.75 -2.82 114.58 114.35 2keo h GLU 88 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2keo h GLU 88 Cb 0.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2keo h GLU 88 CO 0.00 0.10 0.00 1.03 0.07 0.00 0.00 179.01 180.21 2keo h SER 89 N 0.16 0.00 0.39 3.06 0.87 -1.81 -2.98 113.55 113.23 2keo h SER 89 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2keo h SER 89 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2keo h SER 89 CO -0.29 0.00 0.00 0.24 -0.53 0.00 0.00 176.83 176.25 2keo h MET 90 N 0.00 0.00 0.00 2.24 2.86 -1.63 -1.75 114.93 116.65 2keo h MET 90 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2keo h MET 90 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2keo h MET 90 CO 0.00 0.00 -0.05 1.12 1.06 0.00 0.00 176.91 179.04 2keo h HIS 91 N 0.00 0.00 0.04 -0.22 2.07 -1.69 -0.16 115.15 115.19 2keo h HIS 91 Ca 0.00 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.23 2keo h HIS 91 Cb 0.19 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.14 2keo h HIS 91 CO 0.00 0.05 -1.61 0.00 -3.07 0.00 0.00 177.93 173.30 2keo h ALA 92 N 1.95 0.58 0.00 6.11 0.00 -1.58 -3.35 119.26 122.97 2keo h ALA 92 Ca -0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 54.91 53.47 2keo h ALA 92 Cb 0.09 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2keo h ALA 92 CO 0.01 1.42 -0.60 0.74 0.00 0.00 0.00 179.25 180.81 2keo h PHE 93 N 0.02 0.00 -2.79 0.00 0.04 -1.49 -3.43 116.94 109.29 2keo h PHE 93 Ca -0.26 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 59.97 2keo h PHE 93 Cb 1.98 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 40.06 2keo h PHE 93 CO 0.02 0.60 1.02 0.00 -0.60 0.00 0.00 178.31 179.36 2keo h VAL 95 N 6.12 1.28 0.00 0.00 2.07 -1.19 -3.48 116.25 121.05 2keo h VAL 95 Ca -0.26 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2keo h VAL 95 Cb 1.06 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2keo h VAL 95 CO 1.23 0.45 0.00 0.61 0.02 0.00 0.00 177.57 179.88 2keo n GLY 96 N -0.20 -1.30 3.78 2.17 0.00 -1.25 -4.91 105.19 103.47 2keo n GLY 96 Ca -0.01 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 2keo n GLY 96 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2keo s GLN 97 N -0.65 4.26 -0.02 1.61 0.74 -0.47 -1.39 119.66 123.74 2keo s GLN 97 Ca 0.00 0.67 -0.30 0.00 0.05 0.00 0.00 55.36 55.78 2keo s GLN 97 Cb 0.00 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 2keo s GLN 97 CO 0.00 0.43 1.03 -0.47 -0.55 0.00 0.00 175.29 175.73 2keo s TYR 98 N -0.38 3.56 -0.29 1.67 5.04 -0.38 -1.28 117.35 125.30 2keo s TYR 98 Ca 0.29 1.59 -0.09 0.00 -2.44 0.00 0.00 57.07 56.43 2keo s TYR 98 Cb -0.18 -3.20 -0.01 0.00 0.35 0.00 0.00 41.96 38.92 2keo s TYR 98 CO 0.16 -0.32 0.12 -1.17 -1.34 0.00 0.00 175.55 173.00 2keo s LEU 99 N 1.34 3.85 0.14 6.97 2.96 -0.75 -4.89 118.68 128.30 2keo s LEU 99 Ca 0.52 -0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 53.70 2keo s LEU 99 Cb -0.22 -1.96 -0.07 0.00 0.50 0.00 0.00 46.19 44.44 2keo s LEU 99 CO 0.25 -0.14 1.19 -0.70 -1.32 0.00 0.00 176.35 175.64 2keo s GLU 100 N 1.60 4.48 0.24 1.98 2.12 -1.26 -4.23 118.70 123.62 2keo s GLU 100 Ca 0.05 1.82 -0.05 0.00 0.36 0.00 0.00 54.97 57.15 2keo s GLU 100 Cb -0.16 -3.28 0.36 0.00 0.26 0.00 0.00 34.13 31.30 2keo s GLU 100 CO 0.05 -0.14 1.81 -1.00 -0.54 0.00 0.00 175.26 175.44 2keo h PRO 101 N 5.86 0.75 -0.00 4.30 0.13 -1.99 -2.14 132.00 138.91 2keo h PRO 101 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2keo h PRO 101 Cb 1.21 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2keo h PRO 101 CO 0.77 0.49 -0.30 -3.47 -0.23 0.00 0.00 178.00 175.27 2keo n ASP 102 N -4.75 0.57 0.23 1.44 2.03 -1.26 -3.21 116.55 111.59 2keo n ASP 102 Ca 0.12 -0.38 0.13 0.00 0.52 0.00 0.00 54.79 55.18 2keo n ASP 102 Cb 0.25 0.06 0.34 0.00 -0.72 0.00 0.00 41.12 41.05 2keo n ASP 102 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2keo h GLN 103 N 0.42 0.00 -0.23 -0.67 5.75 -1.77 -3.37 115.11 115.24 2keo h GLN 103 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 2keo h GLN 103 Cb 0.47 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.95 2keo h GLN 103 CO 0.00 0.04 -0.28 1.49 -2.65 0.00 0.00 178.83 177.43 2keo h GLU 104 N 0.00 -0.29 0.00 1.69 4.22 -1.51 -3.35 114.58 115.34 2keo h GLU 104 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2keo h GLU 104 Cb 0.86 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2keo h GLU 104 CO 0.01 -0.19 0.00 0.41 -2.18 0.00 0.00 179.01 177.05 2keo n GLY 105 N -1.39 -0.87 3.64 1.92 0.00 -1.26 -5.02 105.19 102.21 2keo n GLY 105 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2keo n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2keo s VAL 106 N -0.14 0.00 -0.56 1.61 0.11 -1.26 -5.12 120.40 115.04 2keo s VAL 106 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 2keo s VAL 106 Cb 0.00 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.99 2keo s VAL 106 CO 0.00 0.00 0.46 0.28 -3.33 0.00 0.00 175.10 172.51 2keo s THR 107 N 1.28 4.68 -0.02 5.04 -1.32 -1.26 -4.98 115.64 119.06 2keo s THR 107 Ca -0.07 -1.91 -0.30 0.00 -1.21 0.00 0.00 61.69 58.20 2keo s THR 107 Cb -0.05 -4.02 -0.05 0.00 -1.51 0.00 0.00 72.50 66.87 2keo s THR 107 CO -0.14 -0.85 1.39 -0.63 -2.21 0.00 0.00 174.62 172.17 2keo s ILE 108 N 1.12 3.79 0.89 5.08 1.01 -1.26 -5.03 121.20 126.80 2keo s ILE 108 Ca 0.08 1.15 -0.12 0.00 0.00 0.00 0.00 60.65 61.76 2keo s ILE 108 Cb -0.24 -3.74 0.12 0.00 0.01 0.00 0.00 42.46 38.61 2keo s ILE 108 CO -0.01 -0.01 1.12 -2.16 0.00 0.00 0.00 174.94 173.88 2keo s PRO 109 N 2.53 1.35 -1.18 2.79 0.04 -1.26 -4.93 135.00 134.34 2keo s PRO 109 Ca 0.63 0.42 -0.18 0.00 0.04 0.00 0.00 61.00 61.91 2keo s PRO 109 Cb -0.30 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2keo s PRO 109 CO 0.25 -2.08 2.05 -0.25 0.04 0.00 0.00 177.00 177.02 2keo n ASP 110 N -3.71 3.45 0.11 6.66 9.92 -1.26 -4.74 116.55 126.98 2keo n ASP 110 Ca 0.07 -2.78 -0.01 0.00 -0.53 0.00 0.00 54.79 51.53 2keo n ASP 110 Cb 0.58 -1.48 0.26 0.00 -0.64 0.00 0.00 41.12 39.84 2keo n ASP 110 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2keo h LEU 111 N 12.12 0.19 0.00 0.64 -0.00 -2.03 -3.58 115.31 122.65 2keo h LEU 111 Ca 0.48 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 2keo h LEU 111 Cb 0.69 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 2keo h LEU 111 CO 1.83 0.57 0.00 0.61 -0.00 0.00 0.00 178.44 181.45