#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 2.95 0.35 3.44 -0.14 -1.26 -5.08 119.74 120.00 2keo s LYS 22 Ca 0.00 -2.52 -0.26 0.00 -1.36 0.00 0.00 55.97 51.83 2keo s LYS 22 Cb 0.00 -3.99 -0.09 0.00 -1.68 0.00 0.00 37.83 32.07 2keo s LYS 22 CO 0.00 -1.22 1.04 0.54 -0.76 0.00 0.00 175.35 174.96 2keo s VAL 23 N -0.00 3.74 -0.31 3.17 0.11 -1.26 -4.98 120.40 120.86 2keo s VAL 23 Ca 0.17 1.47 -0.28 0.00 -2.93 0.00 0.00 61.98 60.41 2keo s VAL 23 Cb -0.17 -3.83 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 2keo s VAL 23 CO -0.05 0.14 1.95 -0.89 -3.33 0.00 0.00 175.10 172.92 2keo s THR 24 N -1.50 3.31 -0.51 5.04 2.01 -1.26 -4.93 115.64 117.80 2keo s THR 24 Ca 0.52 0.31 -0.20 0.00 0.31 0.00 0.00 61.69 62.64 2keo s THR 24 Cb -0.24 -3.44 0.05 0.00 0.01 0.00 0.00 72.50 68.88 2keo s THR 24 CO 0.31 -0.29 0.68 -0.76 -0.69 0.00 0.00 174.62 173.86 2keo s LEU 25 N 7.60 4.81 -0.19 4.42 1.43 -1.26 -0.99 118.68 134.51 2keo s LEU 25 Ca 0.86 -0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 2keo s LEU 25 Cb -0.25 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 2keo s LEU 25 CO 0.33 -0.94 0.41 -0.69 0.23 0.00 0.00 176.35 175.69 2keo s VAL 26 N 2.84 5.20 0.55 -1.59 1.01 -0.40 -4.81 120.40 123.21 2keo s VAL 26 Ca 0.18 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.92 2keo s VAL 26 Cb -0.18 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2keo s VAL 26 CO 0.13 0.27 0.77 -0.13 0.00 0.00 0.00 175.10 176.14 2keo s ARG 27 N 1.18 2.52 0.35 2.72 0.52 -1.25 -1.48 118.95 123.51 2keo s ARG 27 Ca 0.20 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2keo s ARG 27 Cb -0.15 -2.49 0.70 0.00 0.52 0.00 0.00 34.95 33.53 2keo s ARG 27 CO 0.08 -0.72 1.96 0.97 0.02 0.00 0.00 175.30 177.60 2keo h ILE 28 N 0.07 1.04 -0.76 1.52 2.10 -1.98 -2.46 117.51 117.05 2keo h ILE 28 Ca -0.42 -0.28 -0.06 0.00 1.08 0.00 0.00 64.86 65.19 2keo h ILE 28 Cb 1.30 0.17 -0.03 0.00 -1.09 0.00 0.00 36.82 37.16 2keo h ILE 28 CO 0.51 0.15 0.24 0.00 -1.08 0.00 0.00 178.15 177.97 2keo h ALA 29 N 1.59 0.99 -0.41 0.18 0.00 -1.97 -2.93 119.26 116.71 2keo h ALA 29 Ca 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2keo h ALA 29 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2keo h ALA 29 CO -0.10 0.67 0.14 -0.44 0.00 0.00 0.00 179.25 179.52 2keo h ASP 30 N 1.13 0.53 -0.32 0.00 5.19 -1.83 -1.32 116.42 119.80 2keo h ASP 30 Ca 0.24 -0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.61 2keo h ASP 30 Cb 0.31 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 2keo h ASP 30 CO -0.01 0.51 0.17 -0.07 -3.12 0.00 0.00 179.24 176.72 2keo h LEU 31 N 0.58 0.26 -0.32 1.55 3.38 -1.45 -1.52 115.31 117.79 2keo h LEU 31 Ca 0.14 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 2keo h LEU 31 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2keo h LEU 31 CO -0.01 0.19 -0.58 -0.33 0.09 0.00 0.00 178.44 177.80 2keo h GLU 32 N 0.35 0.80 -0.26 1.13 5.08 -1.42 -0.96 114.58 119.30 2keo h GLU 32 Ca 0.13 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2keo h GLU 32 Cb 0.03 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2keo h GLU 32 CO -0.08 1.15 0.13 -0.91 -1.00 0.00 0.00 179.01 178.30 2keo h ASN 33 N 0.60 0.33 -0.08 1.42 2.35 -1.21 -1.88 115.58 117.13 2keo h ASN 33 Ca 0.00 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.53 2keo h ASN 33 Cb 1.18 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 2keo h ASN 33 CO 0.12 0.35 -0.30 -0.74 -1.65 0.00 0.00 177.43 175.22 2keo h HIS 34 N 0.29 0.62 -0.69 1.19 2.76 -1.21 -0.34 115.15 117.77 2keo h HIS 34 Ca 0.09 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2keo h HIS 34 Cb 0.11 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 2keo h HIS 34 CO -0.02 0.79 0.43 -0.97 -1.30 0.00 0.00 177.93 176.85 2keo h ASN 35 N 0.47 0.81 1.54 3.26 -1.24 -1.00 -2.16 115.58 117.26 2keo h ASN 35 Ca 0.06 -0.05 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 2keo h ASN 35 Cb 0.76 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 2keo h ASN 35 CO 0.06 0.61 -0.27 -1.13 -1.29 0.00 0.00 177.43 175.41 2keo h ASN 36 N 0.93 0.00 0.09 1.15 -0.73 -1.14 -3.31 115.58 112.57 2keo h ASN 36 Ca 0.25 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.23 2keo h ASN 36 Cb -0.06 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.53 2keo h ASN 36 CO -0.05 0.27 -0.69 -0.78 -0.37 0.00 0.00 177.43 175.81 2keo h ASP 37 N 0.00 0.64 0.00 1.15 3.58 -0.46 -3.47 116.42 117.86 2keo h ASP 37 Ca -0.00 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2keo h ASP 37 Cb 1.12 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2keo h ASP 37 CO 0.04 1.15 0.00 0.61 -2.88 0.00 0.00 179.24 178.15 2keo n GLY 38 N 0.51 0.01 2.96 -0.78 0.00 -0.91 -5.08 105.19 101.90 2keo n GLY 38 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2keo n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2keo n GLY 39 N 0.00 2.05 2.74 -0.02 0.00 -0.88 -5.05 105.19 104.03 2keo n GLY 39 Ca 0.00 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 2keo n GLY 39 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2keo s PHE 40 N -3.21 1.02 -0.01 1.61 2.19 -1.26 -3.86 117.98 114.46 2keo s PHE 40 Ca 0.23 -0.84 -0.06 0.00 0.33 0.00 0.00 56.93 56.59 2keo s PHE 40 Cb -0.01 -1.02 -0.05 0.00 -1.31 0.00 0.00 43.02 40.63 2keo s PHE 40 CO 0.17 -0.60 0.24 -1.58 1.83 0.00 0.00 175.22 175.27 2keo s TRP 41 N 1.86 3.58 0.00 10.12 0.51 -1.26 -0.48 118.94 133.28 2keo s TRP 41 Ca -0.01 0.54 0.01 0.00 -2.12 0.00 0.00 56.10 54.52 2keo s TRP 41 Cb -0.17 -1.96 -0.01 0.00 -0.81 0.00 0.00 33.47 30.52 2keo s TRP 41 CO -0.08 0.63 -0.05 -0.08 -0.51 0.00 0.00 176.95 176.87 2keo s THR 42 N -1.27 0.34 -0.41 2.01 -1.32 -0.38 -4.93 115.64 109.68 2keo s THR 42 Ca 0.26 -0.33 -0.17 0.00 -1.21 0.00 0.00 61.69 60.23 2keo s THR 42 Cb -0.13 -0.32 0.02 0.00 -1.51 0.00 0.00 72.50 70.55 2keo s THR 42 CO 0.15 -0.00 0.44 -0.69 -2.21 0.00 0.00 174.62 172.31 2keo s VAL 43 N -0.34 5.08 -0.05 5.08 1.01 -1.26 -1.40 120.40 128.53 2keo s VAL 43 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2keo s VAL 43 Cb -0.03 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2keo s VAL 43 CO -0.00 -0.39 -0.09 -0.63 0.00 0.00 0.00 175.10 173.99 2keo s ILE 44 N 2.16 0.87 -1.54 2.22 1.01 -0.28 -4.84 121.20 120.80 2keo s ILE 44 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 2keo s ILE 44 Cb -0.17 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2keo s ILE 44 CO 0.14 0.29 0.10 -0.67 0.00 0.00 0.00 174.94 174.80 2keo n ASP 45 N 3.87 -5.40 -0.17 3.58 2.03 -1.26 -1.59 116.55 117.62 2keo n ASP 45 Ca -0.24 -0.06 -0.02 0.00 0.52 0.00 0.00 54.79 54.99 2keo n ASP 45 Cb 0.51 -4.42 -0.01 0.00 -0.72 0.00 0.00 41.12 36.49 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 -1.10 0.50 3.50 0.27 0.00 -1.26 -5.02 105.19 102.08 2keo n GLY 46 Ca -0.20 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.29 1.76 -0.25 1.61 -0.14 -0.62 -1.26 119.74 119.56 2keo s LYS 47 Ca 0.00 -1.74 -0.04 0.00 -1.36 0.00 0.00 55.97 52.83 2keo s LYS 47 Cb 0.00 -1.81 0.01 0.00 -1.68 0.00 0.00 37.83 34.34 2keo s LYS 47 CO 0.00 0.32 -0.01 0.08 -0.76 0.00 0.00 175.35 174.98 2keo s VAL 48 N -2.49 3.41 0.15 3.17 1.01 -0.52 -1.13 120.40 123.99 2keo s VAL 48 Ca 0.30 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2keo s VAL 48 Cb -0.05 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2keo s VAL 48 CO 0.16 0.24 -0.06 -0.31 0.00 0.00 0.00 175.10 175.13 2keo s TYR 49 N 1.44 2.76 -0.44 5.22 2.02 -0.49 -1.55 117.35 126.31 2keo s TYR 49 Ca 0.03 -0.16 -0.14 0.00 -0.37 0.00 0.00 57.07 56.43 2keo s TYR 49 Cb -0.16 -1.38 0.05 0.00 -0.40 0.00 0.00 41.96 40.07 2keo s TYR 49 CO -0.02 0.48 0.34 0.34 -1.57 0.00 0.00 175.55 175.12 2keo s ASP 50 N -2.63 6.06 0.35 2.29 2.15 -1.12 -1.25 116.67 122.52 2keo s ASP 50 Ca 0.25 -1.17 0.02 0.00 0.43 0.00 0.00 52.55 52.08 2keo s ASP 50 Cb -0.10 -2.15 0.62 0.00 -0.30 0.00 0.00 42.92 41.00 2keo s ASP 50 CO 0.16 -0.55 2.00 0.40 -0.17 0.00 0.00 175.17 177.01 2keo h ILE 51 N 5.75 1.17 -0.33 4.11 1.08 -1.14 -2.01 117.51 126.14 2keo h ILE 51 Ca -0.27 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 63.88 2keo h ILE 51 Cb 1.11 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 2keo h ILE 51 CO 0.80 0.17 0.16 0.50 -0.69 0.00 0.00 178.15 179.09 2keo h LYS 52 N 0.84 0.33 -0.04 2.37 3.11 -1.93 -1.90 116.57 119.36 2keo h LYS 52 Ca 0.22 -0.02 -0.19 0.00 -2.81 0.00 0.00 60.65 57.85 2keo h LYS 52 Cb -0.07 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.08 2keo h LYS 52 CO -0.05 0.22 -0.80 0.22 -2.81 0.00 0.00 179.45 176.24 2keo h ASP 53 N 0.34 0.42 0.04 4.20 3.58 -1.86 -2.91 116.42 120.24 2keo h ASP 53 Ca 0.14 -0.30 0.03 0.00 0.42 0.00 0.00 57.03 57.32 2keo h ASP 53 Cb 0.05 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 40.92 2keo h ASP 53 CO -0.09 1.06 -0.35 0.15 -2.88 0.00 0.00 179.24 177.12 2keo h PHE 54 N 0.21 -0.97 0.00 0.28 3.57 -0.94 0.02 116.94 119.12 2keo h PHE 54 Ca -0.04 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2keo h PHE 54 Cb 1.39 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 40.54 2keo h PHE 54 CO 0.04 -0.44 -0.31 -0.56 -2.23 0.00 0.00 178.31 174.80 2keo h GLN 55 N -0.53 0.00 -0.39 1.11 3.07 -1.44 -1.09 115.11 115.85 2keo h GLN 55 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.67 2keo h GLN 55 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 2keo h GLN 55 CO -0.25 0.31 -0.22 1.15 0.09 0.00 0.00 178.83 179.91 2keo h THR 56 N 0.00 1.27 0.00 1.86 2.02 -1.20 -2.98 112.91 113.88 2keo h THR 56 Ca -0.00 -1.33 -0.15 0.00 0.77 0.00 0.00 66.41 65.70 2keo h THR 56 Cb 0.62 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2keo h THR 56 CO 0.04 0.44 -0.70 1.56 0.37 0.00 0.00 175.52 177.23 2keo h GLN 57 N 0.67 0.00 0.00 6.66 1.08 -0.54 -3.13 115.11 119.84 2keo h GLN 57 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2keo h GLN 57 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2keo h GLN 57 CO 0.06 0.70 0.00 0.45 -0.95 0.00 0.00 178.83 179.09 2keo n SER 58 N -3.42 0.00 -0.21 1.46 2.88 -0.45 -2.81 113.62 111.07 2keo n SER 58 Ca 0.00 -0.28 -0.04 0.00 -1.33 0.00 0.00 58.87 57.23 2keo n SER 58 Cb 0.76 -0.18 0.14 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.00 0.92 -9.63 2.46 6.46 -1.47 -3.44 115.31 110.62 2keo h LEU 59 Ca 0.00 -0.14 -0.52 0.00 -0.12 0.00 0.00 57.88 57.10 2keo h LEU 59 Cb 0.13 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.82 2keo h LEU 59 CO 0.00 0.84 0.45 -0.89 -0.62 0.00 0.00 178.44 178.21 2keo s THR 60 N -5.41 4.05 0.17 1.05 2.01 -1.12 -4.97 115.64 111.43 2keo s THR 60 Ca -0.11 1.74 -0.02 0.00 0.31 0.00 0.00 61.69 63.62 2keo s THR 60 Cb 0.16 -4.11 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 2keo s THR 60 CO 0.82 0.29 1.43 -0.08 -0.69 0.00 0.00 174.62 176.38 2keo h GLU 61 N 5.29 0.42 -2.74 4.92 4.81 -1.90 -3.29 114.58 122.09 2keo h GLU 61 Ca -0.44 -0.34 -0.73 0.00 -0.13 0.00 0.00 59.36 57.72 2keo h GLU 61 Cb 1.21 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.57 2keo h GLU 61 CO 0.72 0.98 2.75 0.09 -0.73 0.00 0.00 179.01 182.82 2keo n ASN 62 N -3.85 8.10 -4.17 1.04 3.02 -1.26 -4.75 115.26 113.39 2keo n ASN 62 Ca -0.04 -3.01 -0.14 0.00 -0.03 0.00 0.00 54.58 51.35 2keo n ASN 62 Cb 0.70 -1.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.35 2keo n ASN 62 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2keo s SER 63 N 0.82 1.45 0.04 6.41 0.15 -1.24 -5.03 113.70 116.30 2keo s SER 63 Ca 0.57 -0.80 0.23 0.00 0.70 0.00 0.00 55.95 56.64 2keo s SER 63 Cb 0.18 0.01 0.94 0.00 -1.71 0.00 0.00 66.02 65.44 2keo s SER 63 CO -0.08 -0.26 1.72 2.30 1.20 0.00 0.00 173.24 178.12 2keo n ILE 64 N 0.59 0.50 1.04 6.45 -5.35 -1.26 -2.56 119.36 118.77 2keo n ILE 64 Ca -0.16 0.09 0.12 0.00 -0.27 0.00 0.00 62.75 62.53 2keo n ILE 64 Cb 0.58 -0.75 0.15 0.00 -1.74 0.00 0.00 39.64 37.87 2keo n ILE 64 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2keo n LEU 65 N -1.61 0.83 0.21 7.28 4.77 -1.26 -4.19 117.00 123.03 2keo n LEU 65 Ca 0.05 -0.23 0.08 0.00 -0.03 0.00 0.00 56.01 55.88 2keo n LEU 65 Cb 0.27 -0.14 0.47 0.00 -2.33 0.00 0.00 43.42 41.69 2keo n LEU 65 CO 0.21 0.19 0.79 0.00 -1.33 0.00 0.00 177.39 177.25 2keo h ALA 66 N 3.17 1.16 0.00 -1.18 0.00 -1.74 -1.40 119.26 119.27 2keo h ALA 66 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2keo h ALA 66 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2keo h ALA 66 CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2keo n GLN 67 N -3.65 0.17 -0.12 0.00 10.64 -1.26 -2.83 117.38 120.32 2keo n GLN 67 Ca -0.01 0.28 0.04 0.00 -1.83 0.00 0.00 57.00 55.48 2keo n GLN 67 Cb 0.40 -1.75 0.10 0.00 -0.86 0.00 0.00 30.24 28.13 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 -2.06 0.28 0.22 2.61 3.72 -0.61 -4.75 117.46 116.87 2keo n PHE 68 Ca 0.04 -0.60 0.06 0.00 -0.05 0.00 0.00 57.45 56.90 2keo n PHE 68 Cb 0.30 -0.08 0.50 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 0.96 1.45 -0.68 4.37 0.00 -1.17 -2.30 119.26 121.89 2keo h ALA 69 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 2keo h ALA 69 Cb 0.75 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.32 2keo h ALA 69 CO 0.03 0.31 0.37 0.41 0.00 0.00 0.00 179.25 180.36 2keo n GLY 70 N -0.67 3.58 3.18 0.00 0.00 -1.26 -4.92 105.19 105.09 2keo n GLY 70 Ca -0.02 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.47 0.84 0.13 1.61 2.56 -0.87 -5.13 118.70 115.37 2keo s GLU 71 Ca 0.43 -1.14 -0.34 0.00 0.00 0.00 0.00 54.97 53.91 2keo s GLU 71 Cb 0.35 -0.55 -0.14 0.00 2.00 0.00 0.00 34.13 35.79 2keo s GLU 71 CO 0.09 0.09 1.58 -3.47 -0.56 0.00 0.00 175.26 172.99 2keo n ASP 72 N 0.60 2.94 -0.19 -1.70 -0.08 -1.26 -4.85 116.55 112.02 2keo n ASP 72 Ca -0.16 1.08 0.12 0.00 -1.51 0.00 0.00 54.79 54.32 2keo n ASP 72 Cb 0.57 -1.39 0.44 0.00 2.34 0.00 0.00 41.12 43.09 2keo n ASP 72 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2keo h PRO 73 N 6.05 0.53 -0.01 -0.67 0.11 -1.97 0.36 132.00 136.40 2keo h PRO 73 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2keo h PRO 73 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2keo h PRO 73 CO 0.88 0.35 -0.10 0.28 -0.21 0.00 0.00 178.00 179.21 2keo h VAL 74 N 0.55 1.55 -0.31 3.15 2.07 -1.95 -1.95 116.25 119.36 2keo h VAL 74 Ca 0.37 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 2keo h VAL 74 Cb 0.67 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 2keo h VAL 74 CO -0.13 0.47 0.04 0.58 0.02 0.00 0.00 177.57 178.54 2keo h VAL 75 N -0.60 1.17 -0.39 2.57 2.07 -1.87 -1.01 116.25 118.19 2keo h VAL 75 Ca -0.01 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2keo h VAL 75 Cb 0.82 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2keo h VAL 75 CO 0.02 0.22 0.09 0.00 0.02 0.00 0.00 177.57 177.92 2keo h ALA 76 N 1.59 0.52 -0.39 1.67 0.00 -0.96 -2.30 119.26 119.37 2keo h ALA 76 Ca 0.10 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2keo h ALA 76 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2keo h ALA 76 CO 0.00 0.20 -0.05 1.25 0.00 0.00 0.00 179.25 180.65 2keo h LEU 77 N 0.49 0.73 0.15 0.00 5.85 -0.79 -1.22 115.31 120.52 2keo h LEU 77 Ca 0.12 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2keo h LEU 77 Cb 0.32 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2keo h LEU 77 CO 0.00 0.89 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.55 2keo h GLU 78 N 0.55 -0.27 -0.41 1.25 5.08 -1.18 -0.96 114.58 118.65 2keo h GLU 78 Ca 0.11 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2keo h GLU 78 Cb 0.55 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2keo h GLU 78 CO 0.03 -0.18 0.15 0.00 -1.00 0.00 0.00 179.01 178.01 2keo h ALA 79 N 0.56 1.50 0.00 3.43 0.00 -1.43 -2.35 119.26 120.97 2keo h ALA 79 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2keo h ALA 79 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2keo h ALA 79 CO -0.01 0.39 -0.24 0.00 0.00 0.00 0.00 179.25 179.38 2keo h ALA 80 N 1.59 1.00 -0.26 0.00 0.00 -0.77 -0.65 119.26 120.18 2keo h ALA 80 Ca 0.14 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2keo h ALA 80 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2keo h ALA 80 CO -0.01 0.30 -0.39 -0.07 0.00 0.00 0.00 179.25 179.08 2keo h LEU 81 N 0.00 0.79 -0.73 0.00 -0.00 -0.63 -1.88 115.31 112.85 2keo h LEU 81 Ca -0.00 -0.52 -0.12 0.00 -0.00 0.00 0.00 57.88 57.24 2keo h LEU 81 Cb 0.79 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.20 2keo h LEU 81 CO 0.03 1.15 -0.55 1.56 -0.00 0.00 0.00 178.44 180.63 2keo h GLN 82 N 0.45 0.00 -5.84 1.13 7.50 -1.38 -3.43 115.11 113.55 2keo h GLN 82 Ca 0.02 0.00 -0.60 0.00 0.50 0.00 0.00 58.65 58.58 2keo h GLN 82 Cb 0.99 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 28.42 2keo h GLN 82 CO 0.09 0.55 0.46 0.12 -1.50 0.00 0.00 178.83 178.56 2keo s PHE 83 N -3.51 3.22 0.38 2.96 5.36 -0.27 -4.95 117.98 121.16 2keo s PHE 83 Ca -0.00 0.92 0.19 0.00 -0.96 0.00 0.00 56.93 57.08 2keo s PHE 83 Cb 0.12 -3.24 1.06 0.00 -0.34 0.00 0.00 43.02 40.62 2keo s PHE 83 CO 0.74 -0.55 1.95 1.05 -1.46 0.00 0.00 175.22 176.94 2keo h GLU 84 N 8.02 0.00 0.00 10.12 4.11 -1.82 -2.03 114.58 132.98 2keo h GLU 84 Ca -0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.16 2keo h GLU 84 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2keo h GLU 84 CO 0.90 0.23 -0.16 -0.44 0.07 0.00 0.00 179.01 179.61 2keo h ASP 85 N 0.00 0.00 0.00 3.06 5.19 -1.92 -3.33 116.42 119.41 2keo h ASP 85 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2keo h ASP 85 Cb 0.48 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 2keo h ASP 85 CO 0.03 0.16 -1.56 0.35 -3.12 0.00 0.00 179.24 175.11 2keo n THR 86 N -3.19 0.07 0.35 0.35 -2.24 -0.96 -4.50 114.28 104.16 2keo n THR 86 Ca 0.02 -0.29 0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2keo n THR 86 Cb 0.51 0.14 0.45 0.00 -2.10 0.00 0.00 70.33 69.32 2keo n THR 86 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2keo n ARG 87 N -1.96 0.14 -0.06 -0.78 1.85 -0.71 -3.26 116.66 111.88 2keo n ARG 87 Ca -0.04 0.43 -0.07 0.00 -1.00 0.00 0.00 57.85 57.17 2keo n ARG 87 Cb 0.36 -1.80 -0.01 0.00 -1.05 0.00 0.00 32.46 29.96 2keo n ARG 87 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 2keo h GLU 88 N 0.00 0.04 0.00 2.89 4.11 -1.79 -2.68 114.58 117.15 2keo h GLU 88 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2keo h GLU 88 Cb 0.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2keo h GLU 88 CO 0.00 0.03 0.00 1.03 0.07 0.00 0.00 179.01 180.14 2keo h SER 89 N 0.05 0.00 0.76 3.06 0.87 -1.89 -3.06 113.55 113.34 2keo h SER 89 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2keo h SER 89 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2keo h SER 89 CO -0.23 0.00 0.00 0.24 -0.53 0.00 0.00 176.83 176.31 2keo h MET 90 N 0.00 0.00 -0.84 2.24 2.86 -1.62 -1.05 114.93 116.52 2keo h MET 90 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2keo h MET 90 Cb 0.68 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 2keo h MET 90 CO 0.00 0.00 0.41 0.45 1.06 0.00 0.00 176.91 178.83 2keo h HIS 91 N 0.00 1.21 -0.05 -0.22 3.86 -1.60 0.00 115.15 118.35 2keo h HIS 91 Ca 0.00 -0.05 -0.22 0.00 -1.16 0.00 0.00 60.37 58.93 2keo h HIS 91 Cb 0.38 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.48 2keo h HIS 91 CO 0.00 0.86 -0.88 0.00 0.86 0.00 0.00 177.93 178.77 2keo h ALA 92 N 1.25 0.36 0.00 2.45 0.00 -1.42 -3.15 119.26 118.75 2keo h ALA 92 Ca 0.29 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2keo h ALA 92 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2keo h ALA 92 CO -0.04 0.76 -0.22 0.74 0.00 0.00 0.00 179.25 180.48 2keo h PHE 93 N 0.33 0.00 -2.05 0.00 0.04 -1.33 -3.41 116.94 110.52 2keo h PHE 93 Ca -0.07 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.19 2keo h PHE 93 Cb 1.51 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.61 2keo h PHE 93 CO 0.07 0.22 1.28 0.00 -0.60 0.00 0.00 178.31 179.28 2keo h VAL 95 N 6.69 0.89 0.00 0.00 -1.51 -1.52 -3.48 116.25 117.31 2keo h VAL 95 Ca -0.26 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 63.80 2keo h VAL 95 Cb 1.13 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 32.15 2keo h VAL 95 CO 1.23 0.34 0.00 0.61 -1.23 0.00 0.00 177.57 178.53 2keo n GLY 96 N 0.09 -0.20 3.76 5.19 0.00 -1.25 -4.90 105.19 107.89 2keo n GLY 96 Ca -0.01 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.00 4.48 0.09 1.61 0.74 -0.16 -1.44 119.66 122.98 2keo s GLN 97 Ca 0.00 1.05 -0.30 0.00 0.05 0.00 0.00 55.36 56.15 2keo s GLN 97 Cb 0.00 -3.32 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 2keo s GLN 97 CO 0.00 0.40 1.08 -0.47 -0.55 0.00 0.00 175.29 175.76 2keo s TYR 98 N -0.48 3.59 -0.07 1.67 5.04 -0.39 -1.27 117.35 125.45 2keo s TYR 98 Ca 0.36 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 2keo s TYR 98 Cb -0.21 -3.25 0.02 0.00 0.35 0.00 0.00 41.96 38.87 2keo s TYR 98 CO 0.23 -0.55 -0.06 -1.17 -1.34 0.00 0.00 175.55 172.66 2keo s LEU 99 N 0.46 1.24 0.23 6.97 1.98 -0.55 -4.80 118.68 124.21 2keo s LEU 99 Ca 0.53 -0.19 -0.30 0.00 -2.89 0.00 0.00 54.13 51.28 2keo s LEU 99 Cb -0.27 -0.60 -0.09 0.00 0.66 0.00 0.00 46.19 45.89 2keo s LEU 99 CO 0.31 -0.07 1.26 -1.61 -1.89 0.00 0.00 176.35 174.35 2keo s GLU 100 N 1.20 4.43 0.64 1.98 2.02 -1.26 -3.93 118.70 123.78 2keo s GLU 100 Ca -0.06 2.02 0.38 0.00 0.02 0.00 0.00 54.97 57.33 2keo s GLU 100 Cb -0.14 -3.18 2.14 0.00 0.10 0.00 0.00 34.13 33.05 2keo s GLU 100 CO -0.02 -0.16 2.29 -1.00 0.02 0.00 0.00 175.26 176.40 2keo h PRO 101 N 4.84 0.00 0.15 0.39 0.13 -1.97 -2.35 132.00 133.20 2keo h PRO 101 Ca -0.46 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.33 2keo h PRO 101 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2keo h PRO 101 CO 0.74 0.00 -1.78 0.22 -0.23 0.00 0.00 178.00 176.95 2keo h ASP 102 N 0.00 0.51 0.02 1.44 3.58 -1.94 -3.38 116.42 116.65 2keo h ASP 102 Ca 0.01 -0.84 -0.02 0.00 0.42 0.00 0.00 57.03 56.60 2keo h ASP 102 Cb 0.09 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2keo h ASP 102 CO -0.00 1.72 -0.05 -0.61 -2.88 0.00 0.00 179.24 177.42 2keo h GLN 103 N 0.09 0.09 -0.42 0.28 5.75 -1.57 -1.89 115.11 117.44 2keo h GLN 103 Ca -0.35 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.13 2keo h GLN 103 Cb 2.07 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 30.58 2keo h GLN 103 CO 0.15 0.15 0.21 0.93 -2.65 0.00 0.00 178.83 177.62 2keo h GLU 104 N 0.09 0.58 0.00 1.69 5.08 -1.71 -3.18 114.58 117.13 2keo h GLU 104 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2keo h GLU 104 Cb 0.15 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2keo h GLU 104 CO 0.01 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 178.87 2keo n GLY 105 N -1.28 1.30 3.53 -3.84 0.00 -0.75 -4.81 105.19 99.34 2keo n GLY 105 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.51 -0.16 1.61 0.11 -0.95 -5.04 120.40 120.48 2keo s VAL 106 Ca 0.00 0.37 -0.14 0.00 -2.93 0.00 0.00 61.98 59.28 2keo s VAL 106 Cb 0.00 -4.44 -0.05 0.00 -1.53 0.00 0.00 36.38 30.37 2keo s VAL 106 CO 0.00 -0.92 0.32 0.28 -3.33 0.00 0.00 175.10 171.45 2keo s THR 107 N 3.63 5.29 -0.37 5.04 -1.32 -1.20 -4.09 115.64 122.61 2keo s THR 107 Ca 0.31 0.60 -0.11 0.00 -1.21 0.00 0.00 61.69 61.28 2keo s THR 107 Cb -0.12 -3.66 0.02 0.00 -1.51 0.00 0.00 72.50 67.23 2keo s THR 107 CO 0.21 0.37 0.21 -0.63 -2.21 0.00 0.00 174.62 172.57 2keo s ILE 108 N 0.58 4.65 0.87 5.08 1.01 -1.26 -5.10 121.20 127.02 2keo s ILE 108 Ca 0.18 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 2keo s ILE 108 Cb -0.13 -3.57 0.12 0.00 0.01 0.00 0.00 42.46 38.89 2keo s ILE 108 CO 0.05 -0.21 1.21 -2.16 0.00 0.00 0.00 174.94 173.83 2keo s PRO 109 N 1.57 1.48 -1.10 2.79 0.04 -1.26 -4.94 135.00 133.59 2keo s PRO 109 Ca 0.03 0.01 -0.23 0.00 0.04 0.00 0.00 61.00 60.84 2keo s PRO 109 Cb -0.19 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2keo s PRO 109 CO 0.07 -1.91 1.92 -0.51 0.04 0.00 0.00 177.00 176.61 2keo s ASP 110 N -4.57 5.14 0.06 6.66 1.11 -1.26 -2.93 116.67 120.89 2keo s ASP 110 Ca 0.65 -1.38 0.00 0.00 0.18 0.00 0.00 52.55 52.01 2keo s ASP 110 Cb -0.10 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.31 2keo s ASP 110 CO 0.51 -2.89 0.00 -0.11 1.18 0.00 0.00 175.17 173.85 2keo n LEU 111 N 13.98 -0.55 0.00 1.23 7.94 -1.26 -5.38 117.00 132.96 2keo n LEU 111 Ca 0.43 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 2keo n LEU 111 Cb 0.47 0.85 0.00 0.00 0.53 0.00 0.00 43.42 45.26 2keo n LEU 111 CO 0.65 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.57