#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 1.00 -0.38 3.44 0.00 -1.26 -5.13 119.74 117.41 2keo s LYS 22 Ca 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 55.97 54.67 2keo s LYS 22 Cb 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 37.83 36.75 2keo s LYS 22 CO 0.00 0.24 0.52 0.54 0.00 0.00 0.00 175.35 176.65 2keo s VAL 23 N -1.45 4.99 -0.39 1.79 0.11 -1.26 -5.03 120.40 119.17 2keo s VAL 23 Ca 0.04 0.13 -0.28 0.00 -2.93 0.00 0.00 61.98 58.94 2keo s VAL 23 Cb -0.09 -4.03 -0.01 0.00 -1.53 0.00 0.00 36.38 30.72 2keo s VAL 23 CO 0.03 -0.34 1.65 -0.89 -3.33 0.00 0.00 175.10 172.22 2keo s THR 24 N 2.43 3.63 -0.43 5.04 2.01 -1.26 -4.97 115.64 122.09 2keo s THR 24 Ca 0.18 0.63 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 2keo s THR 24 Cb -0.15 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.49 2keo s THR 24 CO 0.15 -0.60 0.39 -0.76 -0.69 0.00 0.00 174.62 173.10 2keo s LEU 25 N 6.48 5.11 -0.11 4.42 1.43 -1.25 -0.37 118.68 134.38 2keo s LEU 25 Ca 0.71 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 2keo s LEU 25 Cb -0.18 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 2keo s LEU 25 CO 0.32 -0.56 0.37 -0.69 0.23 0.00 0.00 176.35 176.02 2keo s VAL 26 N 1.90 5.21 0.44 -1.59 1.01 -0.49 -4.92 120.40 121.96 2keo s VAL 26 Ca 0.08 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.86 2keo s VAL 26 Cb -0.19 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2keo s VAL 26 CO 0.11 0.43 0.53 -0.13 0.00 0.00 0.00 175.10 176.04 2keo s ARG 27 N 0.08 2.67 0.40 2.72 1.81 -1.26 -2.19 118.95 123.18 2keo s ARG 27 Ca 0.21 -1.39 0.07 0.00 -1.72 0.00 0.00 55.73 52.89 2keo s ARG 27 Cb -0.14 -2.62 0.82 0.00 -0.45 0.00 0.00 34.95 32.55 2keo s ARG 27 CO 0.08 -0.32 2.03 0.97 -0.68 0.00 0.00 175.30 177.38 2keo h ILE 28 N 0.70 1.12 -0.10 1.52 2.10 -1.99 -2.18 117.51 118.69 2keo h ILE 28 Ca -0.39 -0.30 0.02 0.00 1.08 0.00 0.00 64.86 65.27 2keo h ILE 28 Cb 1.28 0.58 -0.02 0.00 -1.09 0.00 0.00 36.82 37.58 2keo h ILE 28 CO 0.48 0.13 -0.01 0.00 -1.08 0.00 0.00 178.15 177.68 2keo h ALA 29 N 1.70 0.08 -0.70 0.18 0.00 -1.99 -2.02 119.26 116.51 2keo h ALA 29 Ca 0.14 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2keo h ALA 29 Cb 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2keo h ALA 29 CO -0.02 -0.47 0.46 -0.44 0.00 0.00 0.00 179.25 178.78 2keo h ASP 30 N 0.03 0.81 -0.47 0.00 5.19 -1.87 -1.52 116.42 118.58 2keo h ASP 30 Ca 0.05 -0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.46 2keo h ASP 30 Cb 0.06 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 2keo h ASP 30 CO -0.08 0.59 0.26 0.25 -3.12 0.00 0.00 179.24 177.15 2keo h LEU 31 N 0.96 0.41 0.11 1.55 5.85 -1.16 -1.57 115.31 121.45 2keo h LEU 31 Ca 0.26 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2keo h LEU 31 Cb -0.10 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2keo h LEU 31 CO -0.05 0.29 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.95 2keo h GLU 32 N 0.52 -0.14 0.00 1.25 4.39 -1.15 -3.24 114.58 116.21 2keo h GLU 32 Ca 0.20 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.79 2keo h GLU 32 Cb 0.06 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2keo h GLU 32 CO -0.11 0.35 -0.55 -0.91 -1.16 0.00 0.00 179.01 176.63 2keo h ASN 33 N -0.78 0.00 0.84 1.42 2.35 -1.30 -2.84 115.58 115.27 2keo h ASN 33 Ca -0.02 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 2keo h ASN 33 Cb 0.56 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 2keo h ASN 33 CO 0.03 0.55 -0.50 -0.74 -1.65 0.00 0.00 177.43 175.11 2keo h HIS 34 N 0.00 0.00 -0.86 1.19 2.76 -1.42 -2.24 115.15 114.57 2keo h HIS 34 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2keo h HIS 34 Cb 0.98 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.90 2keo h HIS 34 CO 0.00 0.50 0.49 -0.97 -1.30 0.00 0.00 177.93 176.65 2keo h ASN 35 N 0.00 1.06 0.22 3.26 -1.24 -1.40 -1.34 115.58 116.15 2keo h ASN 35 Ca -0.01 -0.08 -0.10 0.00 0.71 0.00 0.00 56.30 56.82 2keo h ASN 35 Cb 1.06 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 2keo h ASN 35 CO 0.07 0.84 -0.39 -1.13 -1.29 0.00 0.00 177.43 175.53 2keo h ASN 36 N 1.20 0.24 0.56 1.15 -0.73 -1.47 -2.43 115.58 114.10 2keo h ASN 36 Ca 0.31 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.38 2keo h ASN 36 Cb 0.00 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.53 2keo h ASN 36 CO -0.05 0.61 0.00 -0.78 -0.37 0.00 0.00 177.43 176.84 2keo h ASP 37 N 0.19 0.00 0.00 1.15 3.58 -0.81 -3.46 116.42 117.08 2keo h ASP 37 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2keo h ASP 37 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2keo h ASP 37 CO 0.06 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2keo n GLY 38 N -0.46 1.00 3.12 -0.78 0.00 -0.91 -5.08 105.19 102.08 2keo n GLY 38 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.06 2.22 -0.26 -0.02 0.00 -0.57 -4.97 107.32 102.67 2keo s GLY 39 Ca 0.00 -2.85 -0.29 0.00 0.00 0.00 0.00 44.72 41.57 2keo s GLY 39 CO 0.00 1.07 1.28 -0.12 0.00 0.00 0.00 173.10 175.33 2keo s PHE 40 N 0.64 2.75 0.57 1.90 5.36 -1.26 -2.99 117.98 124.96 2keo s PHE 40 Ca 0.12 0.93 0.07 0.00 -0.96 0.00 0.00 56.93 57.09 2keo s PHE 40 Cb -0.22 -3.77 0.07 0.00 -0.34 0.00 0.00 43.02 38.77 2keo s PHE 40 CO -0.04 -1.67 0.62 0.91 -1.46 0.00 0.00 175.22 173.59 2keo n TRP 41 N 7.30 -1.47 -3.56 10.12 8.01 -1.26 -1.09 117.44 135.47 2keo n TRP 41 Ca 0.14 -2.23 -0.11 0.00 -1.31 0.00 0.00 57.50 53.99 2keo n TRP 41 Cb 0.46 -0.51 -0.04 0.00 -2.01 0.00 0.00 31.31 29.21 2keo n TRP 41 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 2keo s THR 42 N -2.68 0.04 -0.33 -0.99 -1.32 -0.90 -4.77 115.64 104.69 2keo s THR 42 Ca 0.47 -0.36 -0.08 0.00 -1.21 0.00 0.00 61.69 60.51 2keo s THR 42 Cb -0.04 -1.09 0.03 0.00 -1.51 0.00 0.00 72.50 69.89 2keo s THR 42 CO 0.30 -0.20 0.12 -0.69 -2.21 0.00 0.00 174.62 171.94 2keo s VAL 43 N -3.57 4.02 -0.02 5.08 1.01 -1.26 -2.08 120.40 123.58 2keo s VAL 43 Ca 0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2keo s VAL 43 Cb 0.01 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2keo s VAL 43 CO -0.11 -0.11 0.03 -0.63 0.00 0.00 0.00 175.10 174.29 2keo s ILE 44 N 1.47 -0.03 -1.39 2.22 1.01 -0.36 -4.89 121.20 119.22 2keo s ILE 44 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 2keo s ILE 44 Cb -0.19 -0.07 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2keo s ILE 44 CO 0.04 0.04 0.23 -0.67 0.00 0.00 0.00 174.94 174.57 2keo n ASP 45 N 3.58 -5.20 -1.13 3.58 2.03 -1.26 -1.64 116.55 116.50 2keo n ASP 45 Ca -0.19 -0.11 -0.14 0.00 0.52 0.00 0.00 54.79 54.86 2keo n ASP 45 Cb 0.56 -4.17 -0.06 0.00 -0.72 0.00 0.00 41.12 36.72 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 -1.18 1.35 3.35 0.27 0.00 -1.26 -5.00 105.19 102.70 2keo n GLY 46 Ca -0.16 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.32 1.34 -0.19 1.61 -0.14 -0.65 -1.20 119.74 117.19 2keo s LYS 47 Ca 0.00 -1.64 0.01 0.00 -1.36 0.00 0.00 55.97 52.97 2keo s LYS 47 Cb 0.00 -0.89 0.02 0.00 -1.68 0.00 0.00 37.83 35.28 2keo s LYS 47 CO 0.00 0.04 -0.18 0.08 -0.76 0.00 0.00 175.35 174.53 2keo s VAL 48 N -3.18 2.18 0.07 3.17 1.01 -0.25 -1.22 120.40 122.18 2keo s VAL 48 Ca 0.25 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2keo s VAL 48 Cb 0.03 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2keo s VAL 48 CO 0.08 0.49 -0.09 -0.31 0.00 0.00 0.00 175.10 175.27 2keo s TYR 49 N 1.29 2.79 -0.66 5.22 1.51 -0.88 -0.81 117.35 125.80 2keo s TYR 49 Ca 0.04 -0.12 -0.23 0.00 -1.01 0.00 0.00 57.07 55.74 2keo s TYR 49 Cb -0.14 -1.49 0.06 0.00 -0.11 0.00 0.00 41.96 40.29 2keo s TYR 49 CO -0.12 0.40 1.01 0.34 -1.11 0.00 0.00 175.55 176.08 2keo s ASP 50 N -1.96 6.19 0.20 2.29 -1.08 -0.25 -2.11 116.67 119.95 2keo s ASP 50 Ca 0.20 -0.83 0.09 0.00 -0.52 0.00 0.00 52.55 51.50 2keo s ASP 50 Cb -0.11 -2.44 0.08 0.00 -1.46 0.00 0.00 42.92 38.98 2keo s ASP 50 CO 0.12 -1.48 1.45 0.40 0.52 0.00 0.00 175.17 176.17 2keo h ILE 51 N 5.99 1.53 -0.21 4.11 1.08 -1.41 -2.26 117.51 126.34 2keo h ILE 51 Ca -0.28 -2.75 -0.00 0.00 -0.39 0.00 0.00 64.86 61.43 2keo h ILE 51 Cb 1.07 2.50 -0.01 0.00 -3.07 0.00 0.00 36.82 37.30 2keo h ILE 51 CO 1.19 0.78 0.12 0.50 -0.69 0.00 0.00 178.15 180.04 2keo h LYS 52 N 0.00 0.29 -0.07 2.37 3.11 -1.68 -1.08 116.57 119.50 2keo h LYS 52 Ca -0.01 -0.03 -0.20 0.00 -2.81 0.00 0.00 60.65 57.60 2keo h LYS 52 Cb 1.43 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.61 2keo h LYS 52 CO 0.10 0.27 -0.78 0.22 -2.81 0.00 0.00 179.45 176.45 2keo h ASP 53 N 0.23 0.58 -0.16 4.20 3.58 -1.86 -3.13 116.42 119.86 2keo h ASP 53 Ca 0.07 -0.40 0.05 0.00 0.42 0.00 0.00 57.03 57.18 2keo h ASP 53 Cb 0.06 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 40.88 2keo h ASP 53 CO -0.01 1.16 -0.24 0.15 -2.88 0.00 0.00 179.24 177.42 2keo h PHE 54 N 0.31 -0.63 0.00 0.28 3.04 -1.10 -2.22 116.94 116.62 2keo h PHE 54 Ca -0.05 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 2keo h PHE 54 Cb 1.38 0.30 -0.01 0.00 2.56 0.00 0.00 35.95 40.18 2keo h PHE 54 CO 0.06 -0.32 -0.31 -0.56 -2.02 0.00 0.00 178.31 175.15 2keo h GLN 55 N -0.28 0.00 -0.73 1.11 3.07 -1.28 -1.14 115.11 115.85 2keo h GLN 55 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.79 2keo h GLN 55 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.98 2keo h GLN 55 CO -0.32 0.31 0.23 1.15 0.09 0.00 0.00 178.83 180.29 2keo h THR 56 N 0.00 1.26 -0.05 1.86 2.02 -1.36 -1.02 112.91 115.62 2keo h THR 56 Ca -0.00 -0.90 -0.15 0.00 0.77 0.00 0.00 66.41 66.13 2keo h THR 56 Cb 0.61 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2keo h THR 56 CO 0.04 0.35 -0.64 1.56 0.37 0.00 0.00 175.52 177.21 2keo h GLN 57 N 1.07 0.20 0.00 6.66 1.08 -0.91 -2.94 115.11 120.27 2keo h GLN 57 Ca 0.23 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 2keo h GLN 57 Cb 0.31 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2keo h GLN 57 CO -0.01 0.77 -0.30 1.03 -0.95 0.00 0.00 178.83 179.37 2keo h SER 58 N 0.14 0.00 1.48 1.46 0.87 -0.84 -2.09 113.55 114.58 2keo h SER 58 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2keo h SER 58 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2keo h SER 58 CO 0.10 0.30 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.56 2keo h LEU 59 N 0.00 0.00 -9.15 2.23 3.38 -1.02 -3.33 115.31 107.41 2keo h LEU 59 Ca -0.00 -0.02 -0.59 0.00 0.09 0.00 0.00 57.88 57.36 2keo h LEU 59 Cb 0.63 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.29 2keo h LEU 59 CO 0.04 0.01 0.04 -0.89 0.09 0.00 0.00 178.44 177.72 2keo s THR 60 N -3.12 5.07 0.55 0.22 2.01 -0.78 -5.06 115.64 114.52 2keo s THR 60 Ca 0.10 1.10 -0.21 0.00 0.31 0.00 0.00 61.69 62.99 2keo s THR 60 Cb 0.12 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2keo s THR 60 CO 0.62 0.16 1.26 -0.70 -0.69 0.00 0.00 174.62 175.27 2keo s GLU 61 N 1.63 3.17 0.00 4.92 2.56 -1.26 -3.08 118.70 126.64 2keo s GLU 61 Ca 0.27 1.97 0.00 0.00 0.00 0.00 0.00 54.97 57.22 2keo s GLU 61 Cb -0.16 -2.14 0.00 0.00 2.00 0.00 0.00 34.13 33.83 2keo s GLU 61 CO 0.11 -1.09 0.00 0.09 -0.56 0.00 0.00 175.26 173.81 2keo n ASN 62 N -1.18 0.00 -4.82 -1.70 3.02 -1.26 -5.02 115.26 104.30 2keo n ASN 62 Ca 0.11 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.33 2keo n ASN 62 Cb 0.48 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 39.09 2keo n ASN 62 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2keo s SER 63 N -3.05 6.92 0.65 6.41 0.01 -1.18 -4.97 113.70 118.49 2keo s SER 63 Ca 0.00 1.62 0.43 0.00 1.31 0.00 0.00 55.95 59.31 2keo s SER 63 Cb 0.00 -2.51 2.24 0.00 0.21 0.00 0.00 66.02 65.96 2keo s SER 63 CO 0.00 -0.32 2.30 0.16 0.41 0.00 0.00 173.24 175.79 2keo h ILE 64 N 1.94 0.00 -0.00 1.44 3.07 -1.89 -1.96 117.51 120.12 2keo h ILE 64 Ca -0.49 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 65.82 2keo h ILE 64 Cb 1.18 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 2keo h ILE 64 CO 0.62 0.00 -0.65 0.18 -1.05 0.00 0.00 178.15 177.25 2keo n LEU 65 N -3.09 0.95 0.23 0.16 4.77 -1.26 -4.21 117.00 114.55 2keo n LEU 65 Ca -0.02 -0.32 0.09 0.00 -0.03 0.00 0.00 56.01 55.73 2keo n LEU 65 Cb 0.12 -0.11 0.54 0.00 -2.33 0.00 0.00 43.42 41.64 2keo n LEU 65 CO 0.21 0.21 0.85 0.00 -1.33 0.00 0.00 177.39 177.33 2keo h ALA 66 N 3.20 1.20 0.00 -1.18 0.00 -1.46 -0.98 119.26 120.05 2keo h ALA 66 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2keo h ALA 66 Cb 0.53 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2keo h ALA 66 CO 0.00 0.28 -0.04 -0.56 0.00 0.00 0.00 179.25 178.93 2keo h GLN 67 N 0.00 0.00 -0.60 0.00 3.07 -1.74 -3.13 115.11 112.71 2keo h GLN 67 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2keo h GLN 67 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 2keo h GLN 67 CO 0.03 0.04 0.00 1.19 0.09 0.00 0.00 178.83 180.18 2keo n PHE 68 N -3.12 1.12 0.21 0.06 3.72 -0.43 -4.60 117.46 114.42 2keo n PHE 68 Ca 0.02 -0.58 0.07 0.00 -0.05 0.00 0.00 57.45 56.92 2keo n PHE 68 Cb 0.45 -0.14 0.45 0.00 -0.94 0.00 0.00 39.48 39.30 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 3.66 1.13 -0.00 4.37 0.00 -1.35 -1.95 119.26 125.11 2keo h ALA 69 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2keo h ALA 69 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2keo h ALA 69 CO 0.12 0.37 -0.03 0.41 0.00 0.00 0.00 179.25 180.12 2keo n GLY 70 N -0.10 -1.09 3.71 0.00 0.00 -1.26 -4.85 105.19 101.60 2keo n GLY 70 Ca -0.01 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.39 2.62 0.04 1.61 2.56 -0.73 -5.09 118.70 117.32 2keo s GLU 71 Ca 0.34 -0.83 -0.34 0.00 0.00 0.00 0.00 54.97 54.14 2keo s GLU 71 Cb 0.21 -2.57 -0.12 0.00 2.00 0.00 0.00 34.13 33.64 2keo s GLU 71 CO 0.44 0.54 1.76 -0.25 -0.56 0.00 0.00 175.26 177.18 2keo n ASP 72 N 0.45 3.41 -0.24 -1.70 9.92 -1.26 -4.80 116.55 122.34 2keo n ASP 72 Ca -0.10 1.02 0.23 0.00 -0.53 0.00 0.00 54.79 55.41 2keo n ASP 72 Cb 0.52 -1.42 0.58 0.00 -0.64 0.00 0.00 41.12 40.16 2keo n ASP 72 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 2keo h PRO 73 N 7.87 0.26 -0.29 -0.24 0.11 -1.95 0.72 132.00 138.48 2keo h PRO 73 Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 2keo h PRO 73 Cb 1.26 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2keo h PRO 73 CO 0.92 0.17 -0.50 0.28 -0.21 0.00 0.00 178.00 178.67 2keo h VAL 74 N 0.27 1.28 -0.11 3.15 2.07 -1.95 -1.14 116.25 119.82 2keo h VAL 74 Ca 0.48 -1.69 -0.23 0.00 0.82 0.00 0.00 66.70 66.07 2keo h VAL 74 Cb 1.42 1.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2keo h VAL 74 CO -0.14 0.55 -0.85 0.58 0.02 0.00 0.00 177.57 177.73 2keo h VAL 75 N 0.63 1.28 0.00 2.57 2.07 -1.48 -3.19 116.25 118.13 2keo h VAL 75 Ca 0.03 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 65.45 2keo h VAL 75 Cb 1.09 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2keo h VAL 75 CO 0.11 0.64 -0.26 0.00 0.02 0.00 0.00 177.57 178.09 2keo h ALA 76 N 0.51 1.51 -0.62 1.67 0.00 -0.92 -2.04 119.26 119.36 2keo h ALA 76 Ca -0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2keo h ALA 76 Cb 1.48 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2keo h ALA 76 CO 0.17 0.32 0.20 1.25 0.00 0.00 0.00 179.25 181.19 2keo h LEU 77 N 0.00 0.91 -0.60 0.00 5.85 -1.19 -0.92 115.31 119.36 2keo h LEU 77 Ca -0.00 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 2keo h LEU 77 Cb 0.47 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2keo h LEU 77 CO 0.03 0.87 0.06 -0.33 -0.34 0.00 0.00 178.44 178.73 2keo h GLU 78 N 0.89 1.02 -0.12 1.25 5.08 -1.38 0.24 114.58 121.57 2keo h GLU 78 Ca 0.20 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2keo h GLU 78 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2keo h GLU 78 CO -0.01 0.98 -0.26 0.00 -1.00 0.00 0.00 179.01 178.72 2keo h ALA 79 N 1.00 1.34 -0.02 3.43 0.00 -1.37 -1.46 119.26 122.18 2keo h ALA 79 Ca 0.18 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 2keo h ALA 79 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2keo h ALA 79 CO 0.02 0.46 -0.83 0.00 0.00 0.00 0.00 179.25 178.90 2keo h ALA 80 N 1.54 0.55 -0.51 0.00 0.00 -0.68 -2.17 119.26 117.99 2keo h ALA 80 Ca 0.03 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 2keo h ALA 80 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2keo h ALA 80 CO 0.04 0.86 -0.16 -0.07 0.00 0.00 0.00 179.25 179.91 2keo h LEU 81 N 0.16 1.03 -0.51 0.00 3.38 -0.73 -1.80 115.31 116.84 2keo h LEU 81 Ca -0.04 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 2keo h LEU 81 Cb 1.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2keo h LEU 81 CO 0.13 1.17 -0.02 -0.61 0.09 0.00 0.00 178.44 179.20 2keo h GLN 82 N 0.88 0.92 -5.90 1.13 4.15 -1.22 -3.44 115.11 111.63 2keo h GLN 82 Ca 0.12 -0.30 -0.57 0.00 0.77 0.00 0.00 58.65 58.67 2keo h GLN 82 Cb 0.74 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.28 2keo h GLN 82 CO 0.06 0.95 0.11 0.12 -1.93 0.00 0.00 178.83 178.14 2keo s PHE 83 N -4.98 3.50 0.43 3.99 5.36 -0.82 -4.97 117.98 120.48 2keo s PHE 83 Ca -0.12 1.14 0.10 0.00 -0.96 0.00 0.00 56.93 57.08 2keo s PHE 83 Cb 0.12 -2.80 0.92 0.00 -0.34 0.00 0.00 43.02 40.92 2keo s PHE 83 CO 0.83 -0.00 2.02 1.05 -1.46 0.00 0.00 175.22 177.66 2keo h GLU 84 N 6.99 0.29 0.08 10.12 4.11 -1.84 -1.76 114.58 132.57 2keo h GLU 84 Ca -0.37 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.02 2keo h GLU 84 Cb 1.17 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2keo h GLU 84 CO 0.77 0.28 -0.04 0.22 0.07 0.00 0.00 179.01 180.31 2keo h ASP 85 N 0.29 -0.09 1.57 3.06 3.58 -1.93 -3.34 116.42 119.55 2keo h ASP 85 Ca 0.07 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2keo h ASP 85 Cb 0.14 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2keo h ASP 85 CO -0.00 0.34 0.00 0.71 -2.88 0.00 0.00 179.24 177.41 2keo h THR 86 N -0.54 0.00 0.00 2.25 1.35 -1.64 -3.21 112.91 111.11 2keo h THR 86 Ca -0.01 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2keo h THR 86 Cb 0.46 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2keo h THR 86 CO 0.02 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.18 2keo n ARG 87 N -2.58 0.07 0.04 4.72 1.85 -0.68 -3.10 116.66 116.98 2keo n ARG 87 Ca 0.05 0.18 -0.17 0.00 -1.00 0.00 0.00 57.85 56.91 2keo n ARG 87 Cb 0.44 -1.60 -0.07 0.00 -1.05 0.00 0.00 32.46 30.18 2keo n ARG 87 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2keo h GLU 88 N 0.00 0.59 0.00 2.89 4.39 -1.75 -3.05 114.58 117.65 2keo h GLU 88 Ca 0.00 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.10 2keo h GLU 88 Cb 0.43 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2keo h GLU 88 CO 0.00 1.21 0.00 1.03 -1.16 0.00 0.00 179.01 180.09 2keo h SER 89 N 0.35 0.00 0.40 1.42 0.87 -1.78 -3.12 113.55 111.70 2keo h SER 89 Ca -0.09 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2keo h SER 89 Cb 1.58 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2keo h SER 89 CO 0.18 0.00 -0.10 0.24 -0.53 0.00 0.00 176.83 176.61 2keo h MET 90 N 0.00 0.00 0.00 2.24 2.86 -1.55 -1.23 114.93 117.25 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 0.83 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 2keo h MET 90 CO 0.00 0.10 -0.15 0.45 1.06 0.00 0.00 176.91 178.38 2keo h HIS 91 N 0.00 0.00 0.10 -0.22 3.86 -1.60 -0.44 115.15 116.84 2keo h HIS 91 Ca -0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.94 2keo h HIS 91 Cb 0.33 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.81 2keo h HIS 91 CO 0.00 0.15 -1.16 0.00 0.86 0.00 0.00 177.93 177.78 2keo h ALA 92 N 1.85 0.16 0.00 2.45 0.00 -1.41 -3.34 119.26 118.97 2keo h ALA 92 Ca -0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 2keo h ALA 92 Cb 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2keo h ALA 92 CO 0.02 0.88 -0.76 0.74 0.00 0.00 0.00 179.25 180.13 2keo h PHE 93 N 0.15 0.00 -2.19 0.00 0.04 -1.35 -3.44 116.94 110.14 2keo h PHE 93 Ca -0.13 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.12 2keo h PHE 93 Cb 1.85 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.96 2keo h PHE 93 CO 0.07 0.44 1.27 0.00 -0.60 0.00 0.00 178.31 179.49 2keo h VAL 95 N 6.69 1.28 0.00 0.00 2.07 -1.27 -3.48 116.25 121.54 2keo h VAL 95 Ca -0.27 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2keo h VAL 95 Cb 1.14 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2keo h VAL 95 CO 1.21 0.48 0.00 0.61 0.02 0.00 0.00 177.57 179.89 2keo n GLY 96 N -0.07 -1.26 3.77 2.17 0.00 -1.22 -4.89 105.19 103.69 2keo n GLY 96 Ca -0.01 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.50 4.31 0.09 1.61 0.74 0.50 -1.09 119.66 125.32 2keo s GLN 97 Ca 0.00 0.74 -0.26 0.00 0.05 0.00 0.00 55.36 55.90 2keo s GLN 97 Cb 0.00 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.72 2keo s GLN 97 CO 0.00 0.41 0.80 -0.47 -0.55 0.00 0.00 175.29 175.47 2keo s TYR 98 N -0.32 3.80 -0.04 1.67 5.04 -0.34 -1.40 117.35 125.77 2keo s TYR 98 Ca 0.31 1.57 -0.01 0.00 -2.44 0.00 0.00 57.07 56.50 2keo s TYR 98 Cb -0.18 -2.84 0.03 0.00 0.35 0.00 0.00 41.96 39.32 2keo s TYR 98 CO 0.18 0.34 0.05 -1.17 -1.34 0.00 0.00 175.55 173.60 2keo s LEU 99 N -0.40 0.43 0.42 6.97 0.20 -0.93 -4.73 118.68 120.65 2keo s LEU 99 Ca 0.39 0.06 -0.24 0.00 0.69 0.00 0.00 54.13 55.02 2keo s LEU 99 Cb -0.22 -0.14 -0.08 0.00 -0.43 0.00 0.00 46.19 45.32 2keo s LEU 99 CO 0.25 -0.21 1.16 -1.61 -0.29 0.00 0.00 176.35 175.64 2keo s GLU 100 N 1.84 3.97 0.21 1.98 2.02 -1.26 -4.46 118.70 123.00 2keo s GLU 100 Ca 0.01 1.78 -0.10 0.00 0.02 0.00 0.00 54.97 56.68 2keo s GLU 100 Cb -0.12 -2.57 0.29 0.00 0.10 0.00 0.00 34.13 31.83 2keo s GLU 100 CO -0.03 -0.38 1.68 -1.00 0.02 0.00 0.00 175.26 175.55 2keo h PRO 101 N 2.43 0.17 -0.45 0.39 0.13 -2.00 -2.79 132.00 129.88 2keo h PRO 101 Ca -0.49 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 2keo h PRO 101 Cb 1.24 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2keo h PRO 101 CO 0.62 0.11 -0.19 0.22 -0.23 0.00 0.00 178.00 178.53 2keo h ASP 102 N 0.17 0.89 -0.46 1.44 3.58 -1.94 -3.21 116.42 116.90 2keo h ASP 102 Ca 0.32 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2keo h ASP 102 Cb 0.50 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2keo h ASP 102 CO -0.47 1.05 0.30 -0.61 -2.88 0.00 0.00 179.24 176.63 2keo h GLN 103 N 0.77 0.59 -0.00 0.28 5.75 -1.88 -1.92 115.11 118.70 2keo h GLN 103 Ca 0.11 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2keo h GLN 103 Cb 0.72 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.14 2keo h GLN 103 CO 0.06 0.39 -0.42 -0.85 -2.65 0.00 0.00 178.83 175.35 2keo n GLU 104 N -4.78 0.27 -1.01 1.69 0.28 -1.23 -4.05 120.64 111.82 2keo n GLU 104 Ca 0.02 -0.16 -0.07 0.00 -0.16 0.00 0.00 57.16 56.79 2keo n GLU 104 Cb 0.03 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 31.69 2keo n GLU 104 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2keo n GLY 105 N 1.45 3.85 2.96 -1.84 0.00 -0.73 -4.92 105.19 105.95 2keo n GLY 105 Ca 0.08 -1.03 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.04 0.49 -0.26 1.61 0.11 -1.13 -4.99 120.40 113.19 2keo s VAL 106 Ca 0.54 -0.24 -0.20 0.00 -2.93 0.00 0.00 61.98 59.15 2keo s VAL 106 Cb 0.44 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.85 2keo s VAL 106 CO 0.12 0.15 0.63 0.28 -3.33 0.00 0.00 175.10 172.95 2keo s THR 107 N -0.02 4.98 -0.38 5.04 -1.32 -1.26 -5.03 115.64 117.65 2keo s THR 107 Ca 0.01 1.10 -0.11 0.00 -1.21 0.00 0.00 61.69 61.48 2keo s THR 107 Cb -0.04 -3.94 0.03 0.00 -1.51 0.00 0.00 72.50 67.05 2keo s THR 107 CO -0.00 0.01 0.21 -0.63 -2.21 0.00 0.00 174.62 172.00 2keo s ILE 108 N 2.51 4.50 0.61 5.08 1.01 -1.26 -5.10 121.20 128.56 2keo s ILE 108 Ca 0.26 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 2keo s ILE 108 Cb -0.15 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2keo s ILE 108 CO 0.09 -0.27 1.20 -2.84 0.00 0.00 0.00 174.94 173.12 2keo s PRO 109 N 1.53 2.86 -1.13 2.79 0.02 -1.26 -4.93 135.00 134.88 2keo s PRO 109 Ca 0.02 1.80 -0.22 0.00 0.02 0.00 0.00 61.00 62.62 2keo s PRO 109 Cb -0.20 -1.92 -0.00 0.00 0.02 0.00 0.00 34.50 32.40 2keo s PRO 109 CO 0.06 -1.29 1.77 0.16 -0.33 0.00 0.00 177.00 177.37 2keo s ASP 110 N -1.69 5.93 0.00 2.53 -4.77 -1.26 -4.28 116.67 113.14 2keo s ASP 110 Ca 0.77 -1.68 0.00 0.00 -3.30 0.00 0.00 52.55 48.34 2keo s ASP 110 Cb -0.30 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 38.95 2keo s ASP 110 CO 0.35 -2.08 0.00 -0.11 0.70 0.00 0.00 175.17 174.03 2keo n LEU 111 N 11.25 0.00 0.00 2.11 7.94 -1.26 -5.38 117.00 131.65 2keo n LEU 111 Ca 0.43 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.48 2keo n LEU 111 Cb 0.47 0.00 0.92 0.00 0.53 0.00 0.00 43.42 45.34 2keo n LEU 111 CO 0.69 0.00 1.08 0.61 -1.11 0.00 0.00 177.39 178.66