#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 4.19 -0.12 5.31 0.00 -1.26 -5.09 119.74 122.77 2keo s LYS 22 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 55.97 56.79 2keo s LYS 22 Cb 0.00 -2.53 0.04 0.00 0.00 0.00 0.00 37.83 35.34 2keo s LYS 22 CO 0.00 0.18 0.32 0.54 0.00 0.00 0.00 175.35 176.39 2keo s VAL 23 N -1.87 -0.01 -0.50 1.79 0.11 -1.26 -5.10 120.40 113.55 2keo s VAL 23 Ca 0.53 0.04 -0.27 0.00 -2.93 0.00 0.00 61.98 59.35 2keo s VAL 23 Cb -0.13 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 2keo s VAL 23 CO 0.18 0.02 1.06 -0.89 -3.33 0.00 0.00 175.10 172.14 2keo s THR 24 N 0.56 4.27 -0.56 5.04 2.01 -1.26 -4.98 115.64 120.72 2keo s THR 24 Ca -0.03 0.92 -0.20 0.00 0.31 0.00 0.00 61.69 62.69 2keo s THR 24 Cb -0.05 -4.57 0.07 0.00 0.01 0.00 0.00 72.50 67.96 2keo s THR 24 CO -0.03 -1.03 0.72 -0.76 -0.69 0.00 0.00 174.62 172.82 2keo s LEU 25 N 4.29 4.95 -0.33 4.42 1.43 -1.26 -0.94 118.68 131.25 2keo s LEU 25 Ca 0.42 -1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.30 2keo s LEU 25 Cb -0.09 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 2keo s LEU 25 CO 0.28 -1.06 0.53 -0.69 0.23 0.00 0.00 176.35 175.64 2keo s VAL 26 N 2.94 5.01 0.63 -1.59 1.01 -0.29 -4.81 120.40 123.30 2keo s VAL 26 Ca 0.16 0.49 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 2keo s VAL 26 Cb -0.20 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2keo s VAL 26 CO 0.11 -0.17 0.97 -0.60 0.00 0.00 0.00 175.10 175.40 2keo s ARG 27 N 2.43 2.88 0.24 2.72 3.52 -1.26 -0.89 118.95 128.59 2keo s ARG 27 Ca 0.20 0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.88 2keo s ARG 27 Cb -0.15 -2.19 0.43 0.00 -1.56 0.00 0.00 34.95 31.48 2keo s ARG 27 CO 0.13 -0.82 1.72 0.97 -0.81 0.00 0.00 175.30 176.49 2keo h ILE 28 N -0.34 0.63 -0.60 4.11 2.10 -1.98 -1.84 117.51 119.60 2keo h ILE 28 Ca -0.45 -0.13 0.01 0.00 1.08 0.00 0.00 64.86 65.37 2keo h ILE 28 Cb 1.26 0.22 -0.03 0.00 -1.09 0.00 0.00 36.82 37.17 2keo h ILE 28 CO 0.62 0.07 0.38 0.00 -1.08 0.00 0.00 178.15 178.14 2keo h ALA 29 N 1.54 0.76 -0.27 0.18 0.00 -1.95 -1.08 119.26 118.45 2keo h ALA 29 Ca 0.40 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2keo h ALA 29 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2keo h ALA 29 CO -0.42 0.15 -0.26 0.22 0.00 0.00 0.00 179.25 178.94 2keo h ASP 30 N 0.77 0.53 -0.61 0.00 3.58 -1.78 -2.27 116.42 116.65 2keo h ASP 30 Ca 0.23 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2keo h ASP 30 Cb -0.04 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 2keo h ASP 30 CO -0.07 0.79 0.26 0.25 -2.88 0.00 0.00 179.24 177.59 2keo h LEU 31 N 0.46 0.83 0.34 2.28 5.85 -0.64 -2.48 115.31 121.95 2keo h LEU 31 Ca 0.06 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2keo h LEU 31 Cb 0.70 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2keo h LEU 31 CO 0.05 0.76 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.42 2keo h GLU 32 N 0.85 -0.44 -0.16 1.25 4.39 -0.89 -2.58 114.58 116.99 2keo h GLU 32 Ca 0.21 0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.78 2keo h GLU 32 Cb 0.17 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2keo h GLU 32 CO -0.02 -0.12 -0.54 -0.91 -1.16 0.00 0.00 179.01 176.26 2keo h ASN 33 N -0.83 0.53 -0.07 1.42 2.35 -1.51 -2.95 115.58 114.52 2keo h ASN 33 Ca -0.05 -0.28 -0.15 0.00 -0.55 0.00 0.00 56.30 55.27 2keo h ASN 33 Cb 0.53 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2keo h ASN 33 CO 0.08 0.97 -0.46 -0.74 -1.65 0.00 0.00 177.43 175.63 2keo h HIS 34 N 0.37 0.75 -0.95 1.19 2.76 -1.55 0.52 115.15 118.25 2keo h HIS 34 Ca 0.01 -0.24 0.08 0.00 -2.20 0.00 0.00 60.37 58.02 2keo h HIS 34 Cb 1.07 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.81 2keo h HIS 34 CO 0.04 0.96 0.60 -0.97 -1.30 0.00 0.00 177.93 177.26 2keo h ASN 35 N 0.50 0.94 1.03 3.26 -1.24 -1.33 -2.00 115.58 116.73 2keo h ASN 35 Ca 0.03 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2keo h ASN 35 Cb 0.99 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.86 2keo h ASN 35 CO 0.09 0.57 -0.54 0.78 -1.29 0.00 0.00 177.43 177.04 2keo h ASN 36 N 1.06 0.00 0.18 1.15 2.35 -1.35 -3.32 115.58 115.65 2keo h ASN 36 Ca 0.43 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.94 2keo h ASN 36 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2keo h ASN 36 CO -0.20 0.07 -0.32 -0.78 -1.65 0.00 0.00 177.43 174.55 2keo h ASP 37 N 0.00 0.23 0.00 5.81 1.82 -0.13 -3.47 116.42 120.68 2keo h ASP 37 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2keo h ASP 37 Cb 0.79 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.73 2keo h ASP 37 CO 0.00 0.55 0.00 0.61 -1.61 0.00 0.00 179.24 178.79 2keo n GLY 38 N -0.40 1.32 3.52 -0.78 0.00 -1.15 -5.08 105.19 102.61 2keo n GLY 38 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 1.14 -0.18 -0.02 0.00 -1.12 -4.88 107.32 102.26 2keo s GLY 39 Ca 0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 44.72 42.71 2keo s GLY 39 CO 0.00 2.44 1.38 -0.12 0.00 0.00 0.00 173.10 176.80 2keo s PHE 40 N 4.95 2.57 0.20 1.90 2.19 -1.26 -3.14 117.98 125.39 2keo s PHE 40 Ca 0.32 0.78 0.11 0.00 0.33 0.00 0.00 56.93 58.48 2keo s PHE 40 Cb -0.09 -3.72 -0.04 0.00 -1.31 0.00 0.00 43.02 37.85 2keo s PHE 40 CO 0.09 -2.22 -0.22 -1.58 1.83 0.00 0.00 175.22 173.12 2keo s TRP 41 N 4.00 2.34 0.01 10.12 0.52 -1.26 0.23 118.94 134.90 2keo s TRP 41 Ca 0.60 -0.34 -0.16 0.00 0.02 0.00 0.00 56.10 56.22 2keo s TRP 41 Cb -0.23 -1.15 0.03 0.00 -1.15 0.00 0.00 33.47 30.97 2keo s TRP 41 CO 0.21 0.52 0.35 -0.08 0.02 0.00 0.00 176.95 177.96 2keo s THR 42 N -1.73 0.06 -0.30 2.01 -1.32 -1.04 -4.91 115.64 108.40 2keo s THR 42 Ca 0.22 -0.50 -0.14 0.00 -1.21 0.00 0.00 61.69 60.06 2keo s THR 42 Cb -0.08 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 2keo s THR 42 CO 0.11 -0.27 0.31 0.54 -2.21 0.00 0.00 174.62 173.09 2keo s VAL 43 N -1.81 5.22 -0.02 5.08 0.11 -1.26 -1.77 120.40 125.95 2keo s VAL 43 Ca -0.10 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 2keo s VAL 43 Cb -0.03 -3.70 0.02 0.00 -1.53 0.00 0.00 36.38 31.14 2keo s VAL 43 CO 0.02 0.08 0.00 -0.63 -3.33 0.00 0.00 175.10 171.24 2keo s ILE 44 N 1.94 0.12 -1.70 7.04 1.01 -0.74 -4.85 121.20 124.01 2keo s ILE 44 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2keo s ILE 44 Cb -0.16 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.10 2keo s ILE 44 CO 0.11 0.11 0.00 -0.67 0.00 0.00 0.00 174.94 174.49 2keo n ASP 45 N 3.92 -5.60 0.00 3.58 2.03 -1.26 -1.21 116.55 118.02 2keo n ASP 45 Ca -0.24 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.08 2keo n ASP 45 Cb 0.52 -4.64 0.00 0.00 -0.72 0.00 0.00 41.12 36.28 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 -0.99 0.55 4.00 0.27 0.00 -1.26 -5.01 105.19 102.75 2keo n GLY 46 Ca -0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.47 2.49 -0.18 1.61 -0.14 -0.35 -0.78 119.74 121.92 2keo s LYS 47 Ca 0.00 -1.17 0.01 0.00 -1.36 0.00 0.00 55.97 53.45 2keo s LYS 47 Cb 0.00 -2.60 0.02 0.00 -1.68 0.00 0.00 37.83 33.57 2keo s LYS 47 CO 0.00 -0.67 -0.19 0.08 -0.76 0.00 0.00 175.35 173.81 2keo s VAL 48 N -2.64 2.03 0.09 3.17 1.01 -0.09 -1.79 120.40 122.18 2keo s VAL 48 Ca 0.59 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2keo s VAL 48 Cb -0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2keo s VAL 48 CO 0.37 0.50 -0.09 -0.31 0.00 0.00 0.00 175.10 175.57 2keo s TYR 49 N 1.29 2.78 -0.65 5.22 2.02 -0.73 -0.96 117.35 126.33 2keo s TYR 49 Ca 0.04 -0.13 -0.20 0.00 -0.37 0.00 0.00 57.07 56.41 2keo s TYR 49 Cb -0.13 -1.47 0.10 0.00 -0.40 0.00 0.00 41.96 40.05 2keo s TYR 49 CO -0.12 0.42 0.83 0.34 -1.57 0.00 0.00 175.55 175.45 2keo s ASP 50 N -2.07 6.24 0.52 2.29 2.15 -0.81 -2.49 116.67 122.49 2keo s ASP 50 Ca 0.21 -1.38 0.22 0.00 0.43 0.00 0.00 52.55 52.02 2keo s ASP 50 Cb -0.11 -2.35 1.39 0.00 -0.30 0.00 0.00 42.92 41.56 2keo s ASP 50 CO 0.13 -1.21 2.13 0.40 -0.17 0.00 0.00 175.17 176.45 2keo h ILE 51 N 5.90 0.82 0.14 4.11 1.08 -0.57 -2.29 117.51 126.69 2keo h ILE 51 Ca -0.24 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2keo h ILE 51 Cb 1.07 1.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.97 2keo h ILE 51 CO 1.12 0.07 -0.09 0.50 -0.69 0.00 0.00 178.15 179.06 2keo h LYS 52 N 0.00 -0.21 -0.50 2.37 3.64 -1.88 -1.23 116.57 118.75 2keo h LYS 52 Ca -0.00 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 2keo h LYS 52 Cb 0.14 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2keo h LYS 52 CO 0.01 -0.14 -0.16 0.22 -2.27 0.00 0.00 179.45 177.10 2keo h ASP 53 N -0.22 1.00 -0.63 4.20 3.58 -1.87 -2.58 116.42 119.91 2keo h ASP 53 Ca -0.01 -0.35 0.13 0.00 0.42 0.00 0.00 57.03 57.22 2keo h ASP 53 Cb 0.19 -0.27 -0.11 0.00 1.72 0.00 0.00 39.33 40.86 2keo h ASP 53 CO 0.01 1.14 -0.01 0.15 -2.88 0.00 0.00 179.24 177.65 2keo h PHE 54 N 0.87 -0.06 -0.03 0.28 3.04 -1.24 -1.01 116.94 118.79 2keo h PHE 54 Ca 0.12 0.05 -0.13 0.00 3.98 0.00 0.00 57.97 61.99 2keo h PHE 54 Cb 0.73 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.35 2keo h PHE 54 CO 0.05 -0.18 -0.59 1.96 -2.02 0.00 0.00 178.31 177.53 2keo h GLN 55 N 0.11 0.11 -0.67 1.11 1.08 -1.10 -0.83 115.11 114.92 2keo h GLN 55 Ca 0.33 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.42 2keo h GLN 55 Cb 0.53 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 2keo h GLN 55 CO -0.55 0.67 0.29 1.15 -0.95 0.00 0.00 178.83 179.44 2keo h THR 56 N 0.08 1.22 0.00 -0.54 2.02 -0.92 -0.74 112.91 114.03 2keo h THR 56 Ca -0.01 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 2keo h THR 56 Cb 1.07 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2keo h THR 56 CO 0.08 0.28 -0.55 1.56 0.37 0.00 0.00 175.52 177.26 2keo h GLN 57 N 0.95 0.00 -0.00 6.66 1.08 -0.72 -3.05 115.11 120.03 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 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2keo h GLN 57 CO -0.02 0.55 -0.26 -1.13 -0.95 0.00 0.00 178.83 177.02 2keo n SER 58 N -3.31 0.36 0.02 1.46 3.41 -0.36 -3.67 113.62 111.53 2keo n SER 58 Ca 0.01 -0.09 -0.19 0.00 -0.26 0.00 0.00 58.87 58.35 2keo n SER 58 Cb 0.72 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.50 2keo n SER 58 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2keo h LEU 59 N 0.16 0.69-10.27 1.04 6.46 -1.02 -3.45 115.31 108.91 2keo h LEU 59 Ca 0.00 -0.75 -0.50 0.00 -0.12 0.00 0.00 57.88 56.51 2keo h LEU 59 Cb 0.48 -0.21 0.07 0.00 -0.73 0.00 0.00 40.66 40.27 2keo h LEU 59 CO 0.00 1.35 0.38 0.28 -0.62 0.00 0.00 178.44 179.83 2keo s THR 60 N -3.26 4.06 0.00 1.05 -1.32 -1.21 -5.04 115.64 109.93 2keo s THR 60 Ca -0.12 0.81 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 2keo s THR 60 Cb 0.05 -3.46 0.00 0.00 -1.51 0.00 0.00 72.50 67.57 2keo s THR 60 CO 0.86 -0.74 0.50 1.21 -2.21 0.00 0.00 174.62 174.24 2keo n GLU 61 N -2.54 0.00 -2.79 7.08 2.13 -1.26 -4.53 120.64 118.74 2keo n GLU 61 Ca 0.08 0.32 -0.43 0.00 0.66 0.00 0.00 57.16 57.79 2keo n GLU 61 Cb 0.53 -1.13 -0.04 0.00 0.27 0.00 0.00 31.44 31.08 2keo n GLU 61 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2keo s ASN 62 N -2.11 6.19 0.19 4.31 2.20 -1.26 -4.65 114.94 119.80 2keo s ASN 62 Ca 0.00 -0.81 -0.18 0.00 -0.94 0.00 0.00 52.86 50.93 2keo s ASN 62 Cb 0.00 -2.45 0.03 0.00 -2.00 0.00 0.00 41.25 36.83 2keo s ASN 62 CO 0.00 -1.51 0.52 -0.55 -2.94 0.00 0.00 177.10 172.62 2keo s SER 63 N 3.61 -0.28 0.50 3.54 0.15 -1.26 -5.03 113.70 114.93 2keo s SER 63 Ca 0.26 -0.44 0.33 0.00 0.70 0.00 0.00 55.95 56.80 2keo s SER 63 Cb -0.15 0.57 1.46 0.00 -1.71 0.00 0.00 66.02 66.19 2keo s SER 63 CO 0.12 -1.03 1.98 0.16 1.20 0.00 0.00 173.24 175.67 2keo h ILE 64 N 2.20 0.00 -0.38 6.45 3.07 -1.92 -3.05 117.51 123.87 2keo h ILE 64 Ca -0.30 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 65.78 2keo h ILE 64 Cb 1.26 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2keo h ILE 64 CO 0.38 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.66 2keo n LEU 65 N -2.86 3.20 0.17 0.16 4.77 -1.26 -4.21 117.00 116.98 2keo n LEU 65 Ca 0.00 -1.63 0.03 0.00 -0.03 0.00 0.00 56.01 54.38 2keo n LEU 65 Cb 0.23 -0.25 0.27 0.00 -2.33 0.00 0.00 43.42 41.35 2keo n LEU 65 CO 0.23 0.73 0.62 0.00 -1.33 0.00 0.00 177.39 177.64 2keo h ALA 66 N 3.52 0.98 -0.00 -1.18 0.00 -1.79 -2.38 119.26 118.41 2keo h ALA 66 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2keo h ALA 66 Cb 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2keo h ALA 66 CO 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 2keo n GLN 67 N -3.60 0.51 -0.05 0.00 10.64 -1.26 -3.20 117.38 120.42 2keo n GLN 67 Ca -0.00 -0.01 0.02 0.00 -1.83 0.00 0.00 57.00 55.17 2keo n GLN 67 Cb 0.55 -1.50 0.05 0.00 -0.86 0.00 0.00 30.24 28.48 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 -1.24 0.14 -2.07 2.61 3.72 -0.95 -5.01 117.46 114.67 2keo n PHE 68 Ca 0.15 -0.46 -0.40 0.00 -0.05 0.00 0.00 57.45 56.69 2keo n PHE 68 Cb 0.23 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 2keo n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2keo s ALA 69 N -0.95 2.43 0.00 4.37 0.00 -0.94 -2.05 121.76 124.63 2keo s ALA 69 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2keo s ALA 69 Cb 0.04 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.96 2keo s ALA 69 CO 0.05 -3.44 0.00 0.41 0.00 0.00 0.00 175.76 172.78 2keo n GLY 70 N 5.57 2.90 3.77 0.00 0.00 -1.26 -5.09 105.19 111.08 2keo n GLY 70 Ca 0.20 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 3.71 0.16 1.61 2.56 -0.87 -4.98 118.70 120.89 2keo s GLU 71 Ca 0.00 1.73 -0.34 0.00 0.00 0.00 0.00 54.97 56.36 2keo s GLU 71 Cb 0.00 -2.34 -0.15 0.00 2.00 0.00 0.00 34.13 33.65 2keo s GLU 71 CO 0.00 -0.58 1.46 -3.47 -0.56 0.00 0.00 175.26 172.11 2keo n ASP 72 N -0.62 2.57 -0.27 -1.70 2.03 -1.26 -4.79 116.55 112.51 2keo n ASP 72 Ca 0.08 1.11 0.08 0.00 0.52 0.00 0.00 54.79 56.58 2keo n ASP 72 Cb 0.49 -1.36 0.21 0.00 -0.72 0.00 0.00 41.12 39.74 2keo n ASP 72 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2keo h PRO 73 N 5.10 0.20 -0.04 -0.67 0.11 -1.93 0.82 132.00 135.59 2keo h PRO 73 Ca -0.45 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 2keo h PRO 73 Cb 1.28 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.36 2keo h PRO 73 CO 0.82 0.13 -0.54 0.28 -0.21 0.00 0.00 178.00 178.48 2keo h VAL 74 N 0.21 1.41 -0.46 3.15 2.07 -1.99 -2.55 116.25 118.08 2keo h VAL 74 Ca 0.46 -1.96 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 2keo h VAL 74 Cb 0.84 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 2keo h VAL 74 CO -0.60 0.58 -0.09 0.58 0.02 0.00 0.00 177.57 178.05 2keo h VAL 75 N -0.04 1.26 -0.10 2.57 2.07 -1.86 -2.77 116.25 117.38 2keo h VAL 75 Ca -0.06 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 2keo h VAL 75 Cb 1.23 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2keo h VAL 75 CO 0.11 0.40 -0.31 0.00 0.02 0.00 0.00 177.57 177.79 2keo h ALA 76 N 1.15 1.28 -0.15 1.67 0.00 -0.86 -1.28 119.26 121.06 2keo h ALA 76 Ca 0.13 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2keo h ALA 76 Cb 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2keo h ALA 76 CO 0.04 0.49 -0.63 1.25 0.00 0.00 0.00 179.25 180.40 2keo h LEU 77 N 0.17 0.63 -0.51 0.00 6.46 -1.27 -0.26 115.31 120.54 2keo h LEU 77 Ca 0.02 -0.37 -0.14 0.00 -0.12 0.00 0.00 57.88 57.28 2keo h LEU 77 Cb 0.65 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 2keo h LEU 77 CO 0.05 1.10 -0.28 -0.33 -0.62 0.00 0.00 178.44 178.36 2keo h GLU 78 N 0.41 0.92 -0.16 1.25 5.08 -1.18 -0.01 114.58 120.89 2keo h GLU 78 Ca -0.01 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 2keo h GLU 78 Cb 1.20 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2keo h GLU 78 CO 0.12 1.08 -0.20 0.00 -1.00 0.00 0.00 179.01 179.01 2keo h ALA 79 N 0.89 1.37 -0.12 3.43 0.00 -1.20 -1.33 119.26 122.31 2keo h ALA 79 Ca 0.09 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2keo h ALA 79 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2keo h ALA 79 CO 0.07 0.43 -0.62 0.00 0.00 0.00 0.00 179.25 179.14 2keo h ALA 80 N 1.55 0.70 0.00 0.00 0.00 -0.70 -1.71 119.26 119.09 2keo h ALA 80 Ca 0.04 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2keo h ALA 80 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2keo h ALA 80 CO 0.03 0.72 -0.31 -0.07 0.00 0.00 0.00 179.25 179.62 2keo h LEU 81 N 0.32 0.00 -0.08 0.00 3.38 -0.65 -1.52 115.31 116.76 2keo h LEU 81 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 2keo h LEU 81 Cb 1.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.93 2keo h LEU 81 CO 0.11 0.31 -0.94 -0.61 0.09 0.00 0.00 178.44 177.40 2keo h GLN 82 N 0.00 0.72 -6.28 1.13 5.75 -1.17 -3.44 115.11 111.82 2keo h GLN 82 Ca -0.00 -0.69 -0.58 0.00 -0.15 0.00 0.00 58.65 57.22 2keo h GLN 82 Cb 0.98 0.18 -0.08 0.00 1.07 0.00 0.00 27.48 29.63 2keo h GLN 82 CO 0.04 1.28 0.74 0.12 -2.65 0.00 0.00 178.83 178.37 2keo s PHE 83 N -3.48 3.05 0.46 3.99 5.36 -0.65 -4.93 117.98 121.77 2keo s PHE 83 Ca -0.10 0.89 0.16 0.00 -0.96 0.00 0.00 56.93 56.92 2keo s PHE 83 Cb 0.08 -3.83 1.12 0.00 -0.34 0.00 0.00 43.02 40.05 2keo s PHE 83 CO 0.91 -0.90 2.01 1.05 -1.46 0.00 0.00 175.22 176.83 2keo h GLU 84 N 8.51 0.28 -0.45 10.12 4.11 -1.84 -1.56 114.58 133.76 2keo h GLU 84 Ca -0.22 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.07 2keo h GLU 84 Cb 1.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2keo h GLU 84 CO 1.03 0.19 -0.18 0.22 0.07 0.00 0.00 179.01 180.34 2keo h ASP 85 N 0.29 0.94 0.38 3.06 3.58 -1.92 -3.32 116.42 119.44 2keo h ASP 85 Ca 0.24 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2keo h ASP 85 Cb 0.54 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2keo h ASP 85 CO -0.05 1.12 -1.42 0.35 -2.88 0.00 0.00 179.24 176.36 2keo n THR 86 N -4.19 0.21 0.03 2.25 -2.24 -0.80 -4.28 114.28 105.27 2keo n THR 86 Ca -0.00 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 2keo n THR 86 Cb 0.43 0.02 0.06 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.47 0.00 -0.78 0.11 -0.32 -3.17 114.38 110.70 2keo h ARG 87 Ca 0.00 -0.32 -0.06 0.00 0.10 0.00 0.00 59.98 59.70 2keo h ARG 87 Cb 0.90 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 2keo h ARG 87 CO 0.00 0.94 -0.29 1.05 0.10 0.00 0.00 179.97 181.77 2keo h GLU 88 N 0.35 0.00 0.00 0.08 4.11 -1.75 -2.18 114.58 115.20 2keo h GLU 88 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2keo h GLU 88 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2keo h GLU 88 CO 0.11 0.29 -0.08 1.03 0.07 0.00 0.00 179.01 180.43 2keo h SER 89 N 0.00 0.00 0.00 3.06 0.87 -1.76 -3.28 113.55 112.44 2keo h SER 89 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2keo h SER 89 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2keo h SER 89 CO 0.04 0.01 0.00 0.23 -0.53 0.00 0.00 176.83 176.57 2keo n MET 90 N -2.64 0.61 0.05 2.24 2.81 -0.82 -2.55 117.12 116.82 2keo n MET 90 Ca 0.05 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.96 2keo n MET 90 Cb 0.48 -1.48 0.39 0.00 -0.71 0.00 0.00 33.22 31.90 2keo n MET 90 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2keo h HIS 91 N 0.00 0.42 0.00 2.03 2.07 -1.73 -1.06 115.15 116.88 2keo h HIS 91 Ca 0.00 -0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.43 2keo h HIS 91 Cb 0.00 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 29.84 2keo h HIS 91 CO 0.00 0.39 -0.30 0.00 -3.07 0.00 0.00 177.93 174.95 2keo h ALA 92 N 1.65 0.83 0.00 6.11 0.00 -1.80 -3.27 119.26 122.78 2keo h ALA 92 Ca 0.10 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 2keo h ALA 92 Cb 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2keo h ALA 92 CO -0.00 0.37 -1.41 1.19 0.00 0.00 0.00 179.25 179.41 2keo n PHE 93 N -3.21 0.95 -2.58 0.00 3.01 -1.00 -4.80 117.46 109.83 2keo n PHE 93 Ca 0.02 0.31 -0.42 0.00 1.01 0.00 0.00 57.45 58.37 2keo n PHE 93 Cb 0.62 -1.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.00 2keo n PHE 93 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2keo h VAL 95 N 6.19 1.44 -0.77 0.00 2.07 -1.36 -3.48 116.25 120.34 2keo h VAL 95 Ca -0.25 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.73 2keo h VAL 95 Cb 1.06 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2keo h VAL 95 CO 1.17 0.71 0.00 0.61 0.02 0.00 0.00 177.57 180.08 2keo n GLY 96 N 0.72 0.69 3.85 2.17 0.00 -1.23 -4.73 105.19 106.66 2keo n GLY 96 Ca -0.00 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.99 3.61 -0.25 1.61 0.74 -0.11 -0.91 119.66 123.37 2keo s GLN 97 Ca 0.00 -0.05 -0.29 0.00 0.05 0.00 0.00 55.36 55.07 2keo s GLN 97 Cb 0.00 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.89 2keo s GLN 97 CO 0.00 0.70 1.10 -0.47 -0.55 0.00 0.00 175.29 176.07 2keo s TYR 98 N -0.85 3.17 -0.35 1.67 5.04 0.04 -1.14 117.35 124.93 2keo s TYR 98 Ca 0.16 1.29 -0.14 0.00 -2.44 0.00 0.00 57.07 55.94 2keo s TYR 98 Cb -0.13 -3.45 -0.01 0.00 0.35 0.00 0.00 41.96 38.72 2keo s TYR 98 CO 0.05 -0.83 0.27 -1.17 -1.34 0.00 0.00 175.55 172.53 2keo s LEU 99 N 3.44 4.62 -0.02 6.97 0.20 -0.06 -4.84 118.68 128.99 2keo s LEU 99 Ca 0.47 -0.48 -0.29 0.00 0.69 0.00 0.00 54.13 54.52 2keo s LEU 99 Cb -0.16 -2.17 -0.03 0.00 -0.43 0.00 0.00 46.19 43.40 2keo s LEU 99 CO 0.11 -0.29 0.94 -0.70 -0.29 0.00 0.00 176.35 176.12 2keo s GLU 100 N 1.76 4.53 0.46 1.98 2.12 -1.26 -4.00 118.70 124.29 2keo s GLU 100 Ca 0.07 1.34 0.21 0.00 0.36 0.00 0.00 54.97 56.95 2keo s GLU 100 Cb -0.18 -3.46 1.19 0.00 0.26 0.00 0.00 34.13 31.94 2keo s GLU 100 CO 0.11 -0.05 1.90 -1.00 -0.54 0.00 0.00 175.26 175.68 2keo h PRO 101 N 6.82 0.27 -0.35 4.30 0.13 -1.98 -1.29 132.00 139.90 2keo h PRO 101 Ca -0.40 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 2keo h PRO 101 Cb 1.21 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2keo h PRO 101 CO 0.76 0.18 0.03 0.22 -0.23 0.00 0.00 178.00 178.96 2keo h ASP 102 N 0.27 0.57 -0.54 1.44 3.58 -1.93 -0.85 116.42 118.97 2keo h ASP 102 Ca 0.40 -0.28 0.04 0.00 0.42 0.00 0.00 57.03 57.60 2keo h ASP 102 Cb 1.13 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 2keo h ASP 102 CO -0.10 0.71 0.36 -0.61 -2.88 0.00 0.00 179.24 176.72 2keo h GLN 103 N 0.41 0.58 0.18 0.28 5.75 -1.46 -0.85 115.11 120.00 2keo h GLN 103 Ca 0.10 -0.03 -0.30 0.00 -0.15 0.00 0.00 58.65 58.27 2keo h GLN 103 Cb 0.40 -0.13 0.03 0.00 1.07 0.00 0.00 27.48 28.85 2keo h GLN 103 CO 0.01 0.38 -1.28 1.49 -2.65 0.00 0.00 178.83 176.79 2keo h GLU 104 N 0.60 0.55 0.37 1.69 4.57 -1.38 -3.40 114.58 117.57 2keo h GLU 104 Ca 0.22 -0.83 -0.02 0.00 -1.18 0.00 0.00 59.36 57.55 2keo h GLU 104 Cb 0.13 0.29 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2keo h GLU 104 CO -0.06 1.39 -0.18 0.78 -1.18 0.00 0.00 179.01 179.76 2keo h GLY 105 N 0.13 -0.51 -5.04 1.92 0.00 -0.50 -3.47 103.07 95.59 2keo h GLY 105 Ca -0.21 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2keo h GLY 105 CO 0.24 -0.19 0.05 0.54 0.00 0.00 0.00 176.54 177.19 2keo s VAL 106 N -3.39 -0.00 -0.17 4.60 0.11 -0.38 -5.10 120.40 116.07 2keo s VAL 106 Ca -0.07 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2keo s VAL 106 Cb 0.01 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 2keo s VAL 106 CO 0.22 0.00 -0.12 0.28 -3.33 0.00 0.00 175.10 172.15 2keo s THR 107 N 0.90 2.92 -0.29 5.04 -1.32 -1.26 -4.48 115.64 117.15 2keo s THR 107 Ca -0.04 -0.68 -0.20 0.00 -1.21 0.00 0.00 61.69 59.56 2keo s THR 107 Cb -0.05 -2.26 -0.01 0.00 -1.51 0.00 0.00 72.50 68.67 2keo s THR 107 CO -0.08 0.50 0.60 -0.63 -2.21 0.00 0.00 174.62 172.80 2keo s ILE 108 N 0.88 4.97 -0.63 5.08 1.01 -1.26 -5.04 121.20 126.22 2keo s ILE 108 Ca -0.03 0.87 -0.23 0.00 0.00 0.00 0.00 60.65 61.26 2keo s ILE 108 Cb -0.15 -3.95 0.06 0.00 0.01 0.00 0.00 42.46 38.43 2keo s ILE 108 CO -0.00 -0.08 0.95 -2.16 0.00 0.00 0.00 174.94 173.65 2keo s PRO 109 N 2.52 3.17 0.26 2.79 0.04 -1.26 -5.05 135.00 137.47 2keo s PRO 109 Ca 0.24 -0.66 -0.30 0.00 0.04 0.00 0.00 61.00 60.32 2keo s PRO 109 Cb -0.15 -4.17 -0.09 0.00 0.04 0.00 0.00 34.50 30.12 2keo s PRO 109 CO 0.11 -1.71 1.13 0.34 0.04 0.00 0.00 177.00 176.91 2keo s ASP 110 N 3.41 7.20 -0.13 6.66 2.15 -1.26 -4.98 116.67 129.72 2keo s ASP 110 Ca 0.24 2.28 -0.06 0.00 0.43 0.00 0.00 52.55 55.44 2keo s ASP 110 Cb -0.16 -2.62 -0.25 0.00 -0.30 0.00 0.00 42.92 39.59 2keo s ASP 110 CO 0.13 -0.22 0.32 0.18 -0.17 0.00 0.00 175.17 175.42 2keo n LEU 111 N 1.49 2.65 0.00 -1.34 4.32 -1.26 -5.35 117.00 117.51 2keo n LEU 111 Ca 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 2keo n LEU 111 Cb 0.45 -1.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.14 2keo n LEU 111 CO 0.55 0.85 0.00 0.61 -1.22 0.00 0.00 177.39 178.18