#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 2.89 0.17 3.49 -0.14 -1.26 -4.98 119.74 119.91 2keo s LYS 22 Ca 0.00 0.14 -0.31 0.00 -1.36 0.00 0.00 55.97 54.44 2keo s LYS 22 Cb 0.00 -4.39 -0.09 0.00 -1.68 0.00 0.00 37.83 31.67 2keo s LYS 22 CO 0.00 -2.52 1.43 0.54 -0.76 0.00 0.00 175.35 174.04 2keo s VAL 23 N 7.64 2.98 -0.21 3.17 0.11 -1.26 -4.93 120.40 127.90 2keo s VAL 23 Ca 0.54 0.75 -0.29 0.00 -2.93 0.00 0.00 61.98 60.05 2keo s VAL 23 Cb -0.10 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 2keo s VAL 23 CO 0.16 0.08 1.91 -0.89 -3.33 0.00 0.00 175.10 173.03 2keo s THR 24 N 0.66 3.32 -0.63 5.04 2.01 -1.26 -4.77 115.64 120.02 2keo s THR 24 Ca 0.63 0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.71 2keo s THR 24 Cb -0.39 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 68.76 2keo s THR 24 CO 0.35 -0.19 1.35 -0.76 -0.69 0.00 0.00 174.62 174.68 2keo s LEU 25 N 6.53 3.32 -0.10 4.42 1.43 -1.26 -1.09 118.68 131.93 2keo s LEU 25 Ca 0.85 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.86 2keo s LEU 25 Cb -0.29 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 2keo s LEU 25 CO 0.34 -1.75 0.20 -0.69 0.23 0.00 0.00 176.35 174.68 2keo s VAL 26 N 5.92 5.40 0.30 -1.59 1.01 -0.44 -4.91 120.40 126.08 2keo s VAL 26 Ca 0.45 0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.88 2keo s VAL 26 Cb -0.09 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2keo s VAL 26 CO 0.21 0.59 0.06 0.00 0.00 0.00 0.00 175.10 175.96 2keo s ARG 27 N -0.92 2.33 0.32 2.72 3.03 -1.26 -1.64 118.95 123.54 2keo s ARG 27 Ca 0.17 -1.47 0.03 0.00 2.03 0.00 0.00 55.73 56.49 2keo s ARG 27 Cb -0.13 -2.17 0.63 0.00 -1.03 0.00 0.00 34.95 32.25 2keo s ARG 27 CO 0.06 0.27 1.90 0.97 -1.13 0.00 0.00 175.30 177.36 2keo h ILE 28 N 1.75 0.99 -0.75 4.99 2.10 -1.99 -0.77 117.51 123.82 2keo h ILE 28 Ca -0.44 -0.31 0.01 0.00 1.08 0.00 0.00 64.86 65.20 2keo h ILE 28 Cb 1.25 0.00 -0.04 0.00 -1.09 0.00 0.00 36.82 36.95 2keo h ILE 28 CO 0.62 0.17 0.50 0.00 -1.08 0.00 0.00 178.15 178.35 2keo h ALA 29 N 1.55 1.46 -0.15 0.18 0.00 -1.98 -2.38 119.26 117.94 2keo h ALA 29 Ca 0.40 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 2keo h ALA 29 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2keo h ALA 29 CO -0.17 0.50 -0.53 0.22 0.00 0.00 0.00 179.25 179.27 2keo h ASP 30 N 1.02 0.46 -0.34 0.00 3.58 -1.55 -2.23 116.42 117.37 2keo h ASP 30 Ca 0.28 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2keo h ASP 30 Cb -0.12 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 2keo h ASP 30 CO -0.06 0.91 0.22 -0.07 -2.88 0.00 0.00 179.24 177.36 2keo h LEU 31 N 0.33 0.39 -0.54 2.28 4.07 -1.19 -2.22 115.31 118.43 2keo h LEU 31 Ca 0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2keo h LEU 31 Cb 1.04 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 2keo h LEU 31 CO 0.09 0.28 0.15 -0.33 -1.08 0.00 0.00 178.44 177.56 2keo h GLU 32 N 0.46 0.84 -0.35 1.13 5.08 -1.14 0.31 114.58 120.92 2keo h GLU 32 Ca 0.12 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2keo h GLU 32 Cb -0.05 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2keo h GLU 32 CO -0.03 0.78 -0.33 -0.91 -1.00 0.00 0.00 179.01 177.53 2keo h ASN 33 N 0.75 0.89 0.40 1.42 2.35 -1.46 -2.92 115.58 117.00 2keo h ASN 33 Ca 0.17 -0.46 -0.06 0.00 -0.55 0.00 0.00 56.30 55.39 2keo h ASN 33 Cb 0.30 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2keo h ASN 33 CO -0.00 1.17 -0.29 -0.74 -1.65 0.00 0.00 177.43 175.91 2keo h HIS 34 N 0.62 0.00 -0.01 1.19 2.76 -1.19 -1.00 115.15 117.52 2keo h HIS 34 Ca 0.06 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2keo h HIS 34 Cb 0.91 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.87 2keo h HIS 34 CO 0.07 0.29 0.00 -0.97 -1.30 0.00 0.00 177.93 176.02 2keo h ASN 35 N 0.00 0.02 1.13 3.26 -1.24 -0.86 -2.10 115.58 115.78 2keo h ASN 35 Ca -0.00 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2keo h ASN 35 Cb 0.57 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.62 2keo h ASN 35 CO 0.04 0.27 0.00 0.59 -1.29 0.00 0.00 177.43 177.04 2keo n ASN 36 N -4.96 0.78 0.03 1.15 3.02 -1.07 -1.95 115.26 112.26 2keo n ASN 36 Ca -0.08 0.63 -0.04 0.00 -0.03 0.00 0.00 54.58 55.06 2keo n ASN 36 Cb 0.15 -0.82 0.18 0.00 -0.61 0.00 0.00 39.78 38.68 2keo n ASN 36 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2keo h ASP 37 N 0.00 0.45 0.00 6.41 3.58 -1.07 -3.47 116.42 122.31 2keo h ASP 37 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2keo h ASP 37 Cb 0.56 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2keo h ASP 37 CO 0.00 0.76 0.00 0.61 -2.88 0.00 0.00 179.24 177.73 2keo n GLY 38 N -0.23 1.33 2.86 -0.78 0.00 -0.82 -5.10 105.19 102.45 2keo n GLY 38 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 -0.31 -0.06 -0.02 0.00 -0.81 -5.04 107.32 99.09 2keo s GLY 39 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 2keo s GLY 39 CO 0.00 2.59 1.22 -0.12 0.00 0.00 0.00 173.10 176.79 2keo s PHE 40 N 2.47 3.15 0.14 1.90 2.19 -1.26 -3.09 117.98 123.49 2keo s PHE 40 Ca 0.11 1.17 0.09 0.00 0.33 0.00 0.00 56.93 58.63 2keo s PHE 40 Cb -0.15 -3.44 -0.04 0.00 -1.31 0.00 0.00 43.02 38.07 2keo s PHE 40 CO -0.19 -1.42 -0.15 -1.58 1.83 0.00 0.00 175.22 173.71 2keo s TRP 41 N 2.28 2.56 0.14 10.12 0.52 -1.26 -0.75 118.94 132.55 2keo s TRP 41 Ca 0.56 -0.25 -0.04 0.00 0.02 0.00 0.00 56.10 56.39 2keo s TRP 41 Cb -0.25 -1.31 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 2keo s TRP 41 CO 0.22 0.44 0.14 -0.08 0.02 0.00 0.00 176.95 177.69 2keo s THR 42 N -1.38 0.10 -0.27 2.01 -1.32 -1.02 -4.93 115.64 108.82 2keo s THR 42 Ca 0.21 -1.68 -0.00 0.00 -1.21 0.00 0.00 61.69 59.01 2keo s THR 42 Cb -0.10 -1.90 0.05 0.00 -1.51 0.00 0.00 72.50 69.04 2keo s THR 42 CO 0.12 -0.45 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.33 2keo s VAL 43 N -4.00 2.65 -0.41 5.08 1.01 -1.26 -1.42 120.40 122.05 2keo s VAL 43 Ca 0.19 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.72 2keo s VAL 43 Cb 0.06 -2.48 0.09 0.00 0.00 0.00 0.00 36.38 34.04 2keo s VAL 43 CO -0.00 0.01 0.24 -0.63 0.00 0.00 0.00 175.10 174.71 2keo s ILE 44 N 1.22 3.96 -1.32 2.22 -1.09 0.30 -4.74 121.20 121.74 2keo s ILE 44 Ca -0.05 -1.56 -0.07 0.00 -2.23 0.00 0.00 60.65 56.73 2keo s ILE 44 Cb -0.19 -3.48 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2keo s ILE 44 CO -0.04 -0.54 1.14 -0.67 -1.23 0.00 0.00 174.94 173.61 2keo n ASP 45 N 4.84 -5.58 0.00 3.58 2.03 -1.26 -2.35 116.55 117.81 2keo n ASP 45 Ca -0.09 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.68 2keo n ASP 45 Cb 0.42 -5.01 0.00 0.00 -0.72 0.00 0.00 41.12 35.81 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 -1.85 0.59 3.25 0.27 0.00 -1.26 -5.06 105.19 101.15 2keo n GLY 46 Ca -0.04 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.53 1.46 -0.13 1.61 -0.14 -0.99 -1.44 119.74 119.58 2keo s LYS 47 Ca 0.00 -0.93 -0.09 0.00 -1.36 0.00 0.00 55.97 53.59 2keo s LYS 47 Cb 0.00 -1.56 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 2keo s LYS 47 CO 0.00 0.40 0.17 0.08 -0.76 0.00 0.00 175.35 175.25 2keo s VAL 48 N -0.76 5.43 0.14 3.17 1.01 -0.48 -0.54 120.40 128.37 2keo s VAL 48 Ca 0.08 0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.42 2keo s VAL 48 Cb -0.09 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2keo s VAL 48 CO 0.01 0.56 -0.16 -0.31 0.00 0.00 0.00 175.10 175.21 2keo s TYR 49 N -0.64 1.56 -0.55 5.22 1.51 -0.51 -1.07 117.35 122.87 2keo s TYR 49 Ca 0.14 -0.53 -0.18 0.00 -1.01 0.00 0.00 57.07 55.50 2keo s TYR 49 Cb -0.12 -0.80 0.10 0.00 -0.11 0.00 0.00 41.96 41.03 2keo s TYR 49 CO 0.04 0.21 0.60 0.34 -1.11 0.00 0.00 175.55 175.63 2keo s ASP 50 N -2.55 6.19 0.37 2.29 -1.08 -1.16 -2.44 116.67 118.28 2keo s ASP 50 Ca 0.12 -1.41 0.07 0.00 -0.52 0.00 0.00 52.55 50.81 2keo s ASP 50 Cb -0.05 -2.26 0.71 0.00 -1.46 0.00 0.00 42.92 39.86 2keo s ASP 50 CO 0.04 -0.96 1.90 0.40 0.52 0.00 0.00 175.17 177.08 2keo h ILE 51 N 5.88 1.18 -0.47 4.11 1.08 -1.30 -2.26 117.51 125.74 2keo h ILE 51 Ca -0.29 -0.77 -0.04 0.00 -0.39 0.00 0.00 64.86 63.37 2keo h ILE 51 Cb 1.09 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 2keo h ILE 51 CO 1.03 0.25 0.14 0.50 -0.69 0.00 0.00 178.15 179.38 2keo h LYS 52 N 0.35 0.74 -0.57 2.37 3.64 -1.92 -0.82 116.57 120.36 2keo h LYS 52 Ca 0.07 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 2keo h LYS 52 Cb 0.35 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2keo h LYS 52 CO 0.02 0.71 -0.08 0.22 -2.27 0.00 0.00 179.45 178.05 2keo h ASP 53 N 0.63 1.05 0.22 4.20 3.58 -1.87 -2.29 116.42 121.93 2keo h ASP 53 Ca 0.15 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.27 2keo h ASP 53 Cb 0.29 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2keo h ASP 53 CO -0.00 1.14 -0.29 0.15 -2.88 0.00 0.00 179.24 177.36 2keo h PHE 54 N 0.94 -0.79 0.00 0.28 3.57 -1.09 -2.25 116.94 117.60 2keo h PHE 54 Ca 0.15 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2keo h PHE 54 Cb 0.65 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2keo h PHE 54 CO 0.05 -0.41 -0.30 -0.56 -2.23 0.00 0.00 178.31 174.85 2keo h GLN 55 N -0.57 0.00 -0.68 1.11 3.07 -1.17 -2.05 115.11 114.83 2keo h GLN 55 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 2keo h GLN 55 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.08 2keo h GLN 55 CO -0.11 0.30 0.29 1.15 0.09 0.00 0.00 178.83 180.56 2keo h THR 56 N 0.00 1.24 0.00 1.86 2.02 -1.20 -2.85 112.91 113.97 2keo h THR 56 Ca -0.00 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.40 2keo h THR 56 Cb 0.73 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2keo h THR 56 CO 0.04 0.29 -0.35 1.56 0.37 0.00 0.00 175.52 177.43 2keo h GLN 57 N 0.95 0.00 -0.06 6.66 1.08 -0.78 -2.76 115.11 120.20 2keo h GLN 57 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2keo h GLN 57 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2keo h GLN 57 CO -0.02 0.35 0.00 0.45 -0.95 0.00 0.00 178.83 178.65 2keo n SER 58 N -3.66 0.06 -0.17 1.46 2.88 -0.90 -3.32 113.62 109.97 2keo n SER 58 Ca -0.01 -1.79 -0.10 0.00 -1.33 0.00 0.00 58.87 55.64 2keo n SER 58 Cb 0.45 -0.03 0.02 0.00 -0.75 0.00 0.00 64.21 63.91 2keo n SER 58 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2keo h LEU 59 N 0.01 1.01 -9.83 2.46 5.85 -1.51 -3.46 115.31 109.84 2keo h LEU 59 Ca 0.00 -0.35 -0.63 0.00 0.84 0.00 0.00 57.88 57.73 2keo h LEU 59 Cb 0.03 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 2keo h LEU 59 CO 0.00 1.15 -0.48 0.28 -0.34 0.00 0.00 178.44 179.04 2keo s THR 60 N -4.76 5.41 -0.39 1.05 -1.32 -1.21 -5.00 115.64 109.41 2keo s THR 60 Ca -0.11 -0.18 0.25 0.00 -1.21 0.00 0.00 61.69 60.44 2keo s THR 60 Cb 0.13 -3.56 0.34 0.00 -1.51 0.00 0.00 72.50 67.89 2keo s THR 60 CO 0.86 0.28 1.68 1.05 -2.21 0.00 0.00 174.62 176.29 2keo h GLU 61 N 3.64 0.00 0.00 7.08 9.09 -1.90 -3.12 114.58 129.37 2keo h GLU 61 Ca -0.48 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.90 2keo h GLU 61 Cb 1.18 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2keo h GLU 61 CO 0.70 0.00 -0.15 -0.97 0.05 0.00 0.00 179.01 178.64 2keo h ASN 62 N 0.00 0.00 -4.14 3.06 -1.24 -1.94 -3.42 115.58 107.89 2keo h ASN 62 Ca 0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2keo h ASN 62 Cb 0.89 0.00 0.11 0.00 0.73 0.00 0.00 38.32 40.05 2keo h ASN 62 CO 0.00 0.15 0.42 -0.55 -1.29 0.00 0.00 177.43 176.16 2keo s SER 63 N -6.68 5.09 0.49 1.15 0.15 -1.18 -4.93 113.70 107.79 2keo s SER 63 Ca -0.04 2.23 0.33 0.00 0.70 0.00 0.00 55.95 59.17 2keo s SER 63 Cb 0.15 -2.58 1.68 0.00 -1.71 0.00 0.00 66.02 63.56 2keo s SER 63 CO 0.65 -1.65 2.01 0.16 1.20 0.00 0.00 173.24 175.61 2keo h ILE 64 N 0.48 0.00 -0.19 6.45 3.07 -1.88 -2.66 117.51 122.78 2keo h ILE 64 Ca -0.49 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 65.80 2keo h ILE 64 Cb 1.27 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 2keo h ILE 64 CO 0.54 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.82 2keo n LEU 65 N -2.73 1.03 -0.27 0.16 4.77 -1.26 -3.85 117.00 114.85 2keo n LEU 65 Ca -0.01 -0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 55.40 2keo n LEU 65 Cb 0.12 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2keo n LEU 65 CO 0.18 0.25 1.01 0.00 -1.33 0.00 0.00 177.39 177.51 2keo h ALA 66 N 3.39 0.97 0.00 -1.18 0.00 -1.69 -1.06 119.26 119.69 2keo h ALA 66 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2keo h ALA 66 Cb 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2keo h ALA 66 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2keo n GLN 67 N -4.30 0.17 -0.09 0.00 10.64 -1.25 -3.12 117.38 119.43 2keo n GLN 67 Ca 0.06 0.30 0.06 0.00 -1.83 0.00 0.00 57.00 55.59 2keo n GLN 67 Cb 0.20 -1.77 0.10 0.00 -0.86 0.00 0.00 30.24 27.92 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 -2.08 0.24 -0.11 2.61 3.72 -0.84 -4.72 117.46 116.29 2keo n PHE 68 Ca 0.04 -0.25 -0.04 0.00 -0.05 0.00 0.00 57.45 57.16 2keo n PHE 68 Cb 0.29 -0.01 0.18 0.00 -0.94 0.00 0.00 39.48 38.99 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 2.24 1.15 -0.48 4.37 0.00 -1.16 -2.69 119.26 122.69 2keo h ALA 69 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2keo h ALA 69 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2keo h ALA 69 CO 0.00 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2keo n GLY 70 N -0.71 1.98 3.93 0.00 0.00 -1.26 -4.95 105.19 104.17 2keo n GLY 70 Ca 0.03 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.29 3.49 0.01 1.61 2.56 -1.02 -5.07 118.70 118.99 2keo s GLU 71 Ca 0.40 -0.41 -0.35 0.00 0.00 0.00 0.00 54.97 54.62 2keo s GLU 71 Cb 0.23 -2.94 -0.13 0.00 2.00 0.00 0.00 34.13 33.28 2keo s GLU 71 CO 0.31 0.51 1.71 -3.47 -0.56 0.00 0.00 175.26 173.75 2keo n ASP 72 N -0.22 3.08 0.08 -1.70 -0.08 -1.26 -4.85 116.55 111.61 2keo n ASP 72 Ca -0.05 1.04 0.13 0.00 -1.51 0.00 0.00 54.79 54.39 2keo n ASP 72 Cb 0.53 -1.36 0.61 0.00 2.34 0.00 0.00 41.12 43.24 2keo n ASP 72 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2keo h PRO 73 N 7.37 0.12 -0.01 -0.67 0.13 -1.96 0.04 132.00 137.02 2keo h PRO 73 Ca -0.47 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2keo h PRO 73 Cb 1.27 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2keo h PRO 73 CO 0.91 0.08 -0.13 0.28 -0.23 0.00 0.00 178.00 178.91 2keo h VAL 74 N 0.12 1.53 -0.63 1.56 2.07 -1.97 -2.09 116.25 116.84 2keo h VAL 74 Ca 0.15 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 2keo h VAL 74 Cb 0.44 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 2keo h VAL 74 CO -0.02 0.47 0.19 0.58 0.02 0.00 0.00 177.57 178.81 2keo h VAL 75 N -0.55 1.24 -0.74 2.57 2.07 -1.82 -1.05 116.25 117.98 2keo h VAL 75 Ca -0.01 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2keo h VAL 75 Cb 0.84 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2keo h VAL 75 CO 0.03 0.32 0.30 0.00 0.02 0.00 0.00 177.57 178.24 2keo h ALA 76 N 1.27 0.96 -0.20 1.67 0.00 -1.07 -1.82 119.26 120.07 2keo h ALA 76 Ca 0.21 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2keo h ALA 76 Cb 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2keo h ALA 76 CO -0.01 0.58 -0.56 1.25 0.00 0.00 0.00 179.25 180.51 2keo h LEU 77 N 1.06 0.68 -0.28 0.00 5.85 -0.91 -0.15 115.31 121.55 2keo h LEU 77 Ca 0.25 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2keo h LEU 77 Cb 0.20 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2keo h LEU 77 CO -0.02 1.10 0.17 -0.33 -0.34 0.00 0.00 178.44 179.01 2keo h GLU 78 N 0.46 0.38 -0.14 1.25 5.08 -1.01 -1.09 114.58 119.50 2keo h GLU 78 Ca 0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2keo h GLU 78 Cb 1.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2keo h GLU 78 CO 0.11 0.30 -0.18 0.00 -1.00 0.00 0.00 179.01 178.24 2keo h ALA 79 N 1.06 1.43 0.00 3.43 0.00 -1.27 -2.56 119.26 121.36 2keo h ALA 79 Ca 0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2keo h ALA 79 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2keo h ALA 79 CO -0.02 0.40 -0.49 0.00 0.00 0.00 0.00 179.25 179.14 2keo h ALA 80 N 1.60 1.04 0.00 0.00 0.00 -0.57 -1.05 119.26 120.28 2keo h ALA 80 Ca 0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 2keo h ALA 80 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2keo h ALA 80 CO 0.03 0.62 -0.64 -0.07 0.00 0.00 0.00 179.25 179.19 2keo h LEU 81 N 0.00 0.00 0.13 0.00 -0.00 -0.81 -1.34 115.31 113.28 2keo h LEU 81 Ca -0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.60 2keo h LEU 81 Cb 0.95 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.64 2keo h LEU 81 CO 0.06 0.64 -1.14 1.56 -0.00 0.00 0.00 178.44 179.56 2keo h GLN 82 N 0.00 0.54 -6.19 1.13 4.20 -1.19 -3.44 115.11 110.15 2keo h GLN 82 Ca -0.01 -0.76 -0.57 0.00 0.06 0.00 0.00 58.65 57.38 2keo h GLN 82 Cb 1.25 0.26 -0.05 0.00 0.30 0.00 0.00 27.48 29.24 2keo h GLN 82 CO 0.08 1.34 0.66 0.12 -0.67 0.00 0.00 178.83 180.37 2keo s PHE 83 N -2.87 3.42 0.23 2.96 5.36 -0.43 -4.96 117.98 121.70 2keo s PHE 83 Ca -0.10 1.52 -0.08 0.00 -0.96 0.00 0.00 56.93 57.31 2keo s PHE 83 Cb 0.04 -3.23 0.21 0.00 -0.34 0.00 0.00 43.02 39.70 2keo s PHE 83 CO 0.91 -0.39 1.90 1.05 -1.46 0.00 0.00 175.22 177.23 2keo h GLU 84 N 7.26 1.14 -0.31 10.12 4.11 -1.85 -2.24 114.58 132.81 2keo h GLU 84 Ca -0.27 -0.07 -0.12 0.00 0.07 0.00 0.00 59.36 58.98 2keo h GLU 84 Cb 1.12 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2keo h GLU 84 CO 0.90 0.76 -0.29 -0.44 0.07 0.00 0.00 179.01 180.02 2keo h ASP 85 N 1.18 0.65 0.89 3.06 3.32 -1.92 -3.15 116.42 120.44 2keo h ASP 85 Ca 0.32 -0.25 -0.23 0.00 0.02 0.00 0.00 57.03 56.89 2keo h ASP 85 Cb -0.13 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 2keo h ASP 85 CO -0.07 0.91 -1.13 0.71 -1.72 0.00 0.00 179.24 177.93 2keo h THR 86 N 0.55 1.56 0.00 0.35 1.35 -1.70 -3.30 112.91 111.73 2keo h THR 86 Ca 0.07 -3.28 0.00 0.00 -0.55 0.00 0.00 66.41 62.65 2keo h THR 86 Cb 0.77 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 2keo h THR 86 CO 0.06 0.90 0.00 -2.11 -0.25 0.00 0.00 175.52 174.12 2keo n ARG 87 N -3.32 0.13 -0.03 4.72 -4.01 -0.51 -2.56 116.66 111.08 2keo n ARG 87 Ca -0.03 0.23 -0.05 0.00 -1.04 0.00 0.00 57.85 56.96 2keo n ARG 87 Cb 0.96 -1.69 0.16 0.00 -3.04 0.00 0.00 32.46 28.85 2keo n ARG 87 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 2keo h GLU 88 N 0.00 0.62 0.00 2.89 5.08 -1.63 -2.81 114.58 118.73 2keo h GLU 88 Ca 0.00 -0.23 -0.19 0.00 -1.00 0.00 0.00 59.36 57.95 2keo h GLU 88 Cb 0.47 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2keo h GLU 88 CO 0.00 0.79 -0.89 1.03 -1.00 0.00 0.00 179.01 178.94 2keo h SER 89 N 0.55 0.00 0.53 1.42 0.87 -1.70 -3.26 113.55 111.96 2keo h SER 89 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2keo h SER 89 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2keo h SER 89 CO 0.05 0.89 0.00 0.23 -0.53 0.00 0.00 176.83 177.46 2keo n MET 90 N -3.47 0.02 0.19 2.24 2.81 -1.07 -1.72 117.12 116.11 2keo n MET 90 Ca -0.00 0.22 0.05 0.00 -1.81 0.00 0.00 57.70 56.16 2keo n MET 90 Cb 0.85 -1.50 0.52 0.00 -0.71 0.00 0.00 33.22 32.37 2keo n MET 90 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2keo h HIS 91 N 0.00 0.11 0.13 2.03 6.17 -1.58 -2.22 115.15 119.80 2keo h HIS 91 Ca 0.00 -0.00 -0.30 0.00 0.71 0.00 0.00 60.37 60.77 2keo h HIS 91 Cb 0.27 -0.04 -0.00 0.00 2.52 0.00 0.00 27.41 30.16 2keo h HIS 91 CO 0.00 0.18 -1.48 0.00 0.71 0.00 0.00 177.93 177.34 2keo h ALA 92 N 1.84 0.20 0.00 5.26 0.00 -1.58 -3.37 119.26 121.62 2keo h ALA 92 Ca 0.03 -1.05 -0.05 0.00 0.00 0.00 0.00 54.91 53.84 2keo h ALA 92 Cb 0.17 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2keo h ALA 92 CO 0.01 1.07 -0.24 0.74 0.00 0.00 0.00 179.25 180.83 2keo h PHE 93 N 0.08 0.00 -1.97 0.00 -1.00 -1.56 -3.41 116.94 109.07 2keo h PHE 93 Ca -0.22 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.06 2keo h PHE 93 Cb 2.02 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 41.54 2keo h PHE 93 CO 0.07 0.24 1.28 0.00 -1.61 0.00 0.00 178.31 178.29 2keo h VAL 95 N 6.77 1.34 -2.34 0.00 -1.51 -1.35 -3.48 116.25 115.68 2keo h VAL 95 Ca -0.24 -1.62 0.27 0.00 -1.23 0.00 0.00 66.70 63.87 2keo h VAL 95 Cb 1.14 1.87 -0.05 0.00 -2.13 0.00 0.00 31.29 32.12 2keo h VAL 95 CO 1.23 0.46 0.77 -0.83 -1.23 0.00 0.00 177.57 177.98 2keo s GLY 96 N -4.37 0.00 -0.01 5.19 0.00 -1.22 -4.68 107.32 102.23 2keo s GLY 96 Ca -0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.35 2keo s GLY 96 CO 0.74 4.56 0.50 1.62 0.00 0.00 0.00 173.10 180.53 2keo s GLN 97 N -2.03 4.18 0.25 2.90 0.74 -0.25 -1.38 119.66 124.06 2keo s GLN 97 Ca 0.27 0.57 -0.25 0.00 0.05 0.00 0.00 55.36 56.00 2keo s GLN 97 Cb -0.02 -3.30 -0.09 0.00 1.10 0.00 0.00 33.01 30.70 2keo s GLN 97 CO 0.02 0.48 0.85 -0.47 -0.55 0.00 0.00 175.29 175.62 2keo s TYR 98 N -0.48 3.77 -0.15 1.67 5.04 -0.52 -1.32 117.35 125.35 2keo s TYR 98 Ca 0.27 1.66 -0.03 0.00 -2.44 0.00 0.00 57.07 56.53 2keo s TYR 98 Cb -0.17 -2.81 0.05 0.00 0.35 0.00 0.00 41.96 39.37 2keo s TYR 98 CO 0.15 0.35 0.04 -1.17 -1.34 0.00 0.00 175.55 173.58 2keo s LEU 99 N -1.71 0.80 0.33 6.97 0.20 -0.65 -4.80 118.68 119.82 2keo s LEU 99 Ca 0.44 -0.56 -0.27 0.00 0.69 0.00 0.00 54.13 54.42 2keo s LEU 99 Cb -0.20 -0.46 -0.09 0.00 -0.43 0.00 0.00 46.19 45.01 2keo s LEU 99 CO 0.25 -0.29 1.13 -0.70 -0.29 0.00 0.00 176.35 176.45 2keo s GLU 100 N 1.96 4.39 0.14 1.98 2.12 -1.26 -4.40 118.70 123.62 2keo s GLU 100 Ca 0.01 1.81 -0.29 0.00 0.36 0.00 0.00 54.97 56.87 2keo s GLU 100 Cb -0.15 -2.95 -0.08 0.00 0.26 0.00 0.00 34.13 31.21 2keo s GLU 100 CO -0.07 -0.02 1.50 -1.35 -0.54 0.00 0.00 175.26 174.77 2keo h PRO 101 N 3.26 -0.13 -0.00 4.30 0.11 -2.00 -2.66 132.00 134.88 2keo h PRO 101 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2keo h PRO 101 Cb 1.22 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2keo h PRO 101 CO 0.65 -0.09 -0.08 -3.47 -0.21 0.00 0.00 178.00 174.80 2keo n ASP 102 N -5.09 0.13 -0.17 -2.05 2.03 -1.26 -3.43 116.55 106.70 2keo n ASP 102 Ca -0.00 0.09 0.14 0.00 0.52 0.00 0.00 54.79 55.54 2keo n ASP 102 Cb 0.27 -0.29 0.47 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.08 0.47 0.00 -0.67 5.75 -1.79 -1.61 115.11 117.34 2keo h GLN 103 Ca 0.00 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2keo h GLN 103 Cb 0.43 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2keo h GLN 103 CO 0.00 0.31 -0.19 0.93 -2.65 0.00 0.00 178.83 177.23 2keo h GLU 104 N 0.49 0.00 0.00 1.69 5.08 -1.69 -3.36 114.58 116.79 2keo h GLU 104 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2keo h GLU 104 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2keo h GLU 104 CO -0.13 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 2keo n GLY 105 N -0.67 1.31 3.16 -3.84 0.00 -0.61 -5.02 105.19 99.51 2keo n GLY 105 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.01 -0.39 -0.21 1.61 0.11 -1.21 -5.14 120.40 115.16 2keo s VAL 106 Ca 0.00 0.19 -0.25 0.00 -2.93 0.00 0.00 61.98 58.98 2keo s VAL 106 Cb 0.00 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 2keo s VAL 106 CO 0.00 0.08 0.86 0.28 -3.33 0.00 0.00 175.10 172.98 2keo s THR 107 N 2.16 4.84 -0.36 5.04 -1.32 -1.26 -4.82 115.64 119.91 2keo s THR 107 Ca -0.03 1.65 -0.17 0.00 -1.21 0.00 0.00 61.69 61.93 2keo s THR 107 Cb -0.11 -4.15 -0.00 0.00 -1.51 0.00 0.00 72.50 66.73 2keo s THR 107 CO -0.11 -0.04 0.46 -0.63 -2.21 0.00 0.00 174.62 172.08 2keo s ILE 108 N 2.59 5.07 0.76 5.08 -1.09 -1.26 -5.09 121.20 127.27 2keo s ILE 108 Ca 0.37 0.11 -0.10 0.00 -2.23 0.00 0.00 60.65 58.81 2keo s ILE 108 Cb -0.16 -3.94 0.07 0.00 -1.58 0.00 0.00 42.46 36.85 2keo s ILE 108 CO 0.09 -0.23 1.11 -2.16 -1.23 0.00 0.00 174.94 172.52 2keo s PRO 109 N 2.24 2.05 -0.37 2.79 0.04 -1.26 -5.08 135.00 135.42 2keo s PRO 109 Ca 0.15 -0.07 -0.06 0.00 0.04 0.00 0.00 61.00 61.06 2keo s PRO 109 Cb -0.16 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.39 2keo s PRO 109 CO 0.13 -1.45 0.15 0.34 0.04 0.00 0.00 177.00 176.22 2keo s ASP 110 N -4.56 5.36 -0.09 6.66 2.15 -1.26 -4.98 116.67 119.95 2keo s ASP 110 Ca 0.61 -1.40 -0.06 0.00 0.43 0.00 0.00 52.55 52.14 2keo s ASP 110 Cb -0.11 -1.88 -0.02 0.00 -0.30 0.00 0.00 42.92 40.61 2keo s ASP 110 CO 0.47 -0.41 -0.11 -0.07 -0.17 0.00 0.00 175.17 174.88 2keo h LEU 111 N 8.22 0.00 0.00 -1.34 4.07 -2.07 -3.58 115.31 120.62 2keo h LEU 111 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2keo h LEU 111 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2keo h LEU 111 CO 0.65 0.49 0.00 0.61 -1.08 0.00 0.00 178.44 179.11