#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 3.28 -0.15 5.31 -0.14 -1.26 -5.04 119.74 121.74 2keo s LYS 22 Ca 0.00 -1.24 -0.26 0.00 -1.36 0.00 0.00 55.97 53.12 2keo s LYS 22 Cb 0.00 -4.49 -0.02 0.00 -1.68 0.00 0.00 37.83 31.64 2keo s LYS 22 CO 0.00 -1.77 0.84 0.54 -0.76 0.00 0.00 175.35 174.20 2keo s VAL 23 N 3.39 4.89 -0.35 3.17 0.11 -1.26 -5.01 120.40 125.35 2keo s VAL 23 Ca 0.25 1.66 -0.28 0.00 -2.93 0.00 0.00 61.98 60.67 2keo s VAL 23 Cb -0.13 -4.15 -0.01 0.00 -1.53 0.00 0.00 36.38 30.56 2keo s VAL 23 CO 0.02 0.05 1.72 -0.89 -3.33 0.00 0.00 175.10 172.67 2keo s THR 24 N 2.00 3.57 -0.72 5.04 2.01 -1.26 -4.80 115.64 121.48 2keo s THR 24 Ca 0.39 0.57 -0.27 0.00 0.31 0.00 0.00 61.69 62.70 2keo s THR 24 Cb -0.17 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.61 2keo s THR 24 CO 0.14 -0.49 1.27 -0.76 -0.69 0.00 0.00 174.62 174.09 2keo s LEU 25 N 6.56 3.20 -0.32 4.42 1.43 -1.26 -1.51 118.68 131.21 2keo s LEU 25 Ca 0.76 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 2keo s LEU 25 Cb -0.21 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 2keo s LEU 25 CO 0.33 -1.79 0.45 -0.69 0.23 0.00 0.00 176.35 174.89 2keo s VAL 26 N 5.63 5.09 0.56 -1.59 1.01 -0.65 -4.84 120.40 125.61 2keo s VAL 26 Ca 0.36 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2keo s VAL 26 Cb -0.08 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.50 2keo s VAL 26 CO 0.17 -0.06 0.77 -0.13 0.00 0.00 0.00 175.10 175.85 2keo s ARG 27 N 2.24 2.40 0.33 2.72 0.52 -1.25 -1.92 118.95 123.99 2keo s ARG 27 Ca 0.17 -1.10 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 2keo s ARG 27 Cb -0.16 -2.55 0.57 0.00 0.52 0.00 0.00 34.95 33.34 2keo s ARG 27 CO 0.12 -0.77 1.98 0.97 0.02 0.00 0.00 175.30 177.61 2keo h ILE 28 N 0.11 1.18 -0.63 1.52 2.10 -1.97 -2.27 117.51 117.54 2keo h ILE 28 Ca -0.38 -0.38 0.09 0.00 1.08 0.00 0.00 64.86 65.26 2keo h ILE 28 Cb 1.29 0.26 -0.07 0.00 -1.09 0.00 0.00 36.82 37.20 2keo h ILE 28 CO 0.46 0.18 0.27 0.00 -1.08 0.00 0.00 178.15 177.99 2keo h ALA 29 N 1.55 0.84 -0.41 0.18 0.00 -1.95 -1.78 119.26 117.70 2keo h ALA 29 Ca 0.23 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2keo h ALA 29 Cb -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2keo h ALA 29 CO -0.05 -0.14 0.16 0.22 0.00 0.00 0.00 179.25 179.45 2keo h ASP 30 N 0.48 0.56 -0.75 0.00 1.82 -1.81 -3.00 116.42 113.72 2keo h ASP 30 Ca 0.32 -0.17 0.02 0.00 -0.39 0.00 0.00 57.03 56.81 2keo h ASP 30 Cb 0.36 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.18 2keo h ASP 30 CO -0.28 0.57 0.48 -0.07 -1.61 0.00 0.00 179.24 178.33 2keo h LEU 31 N 0.51 0.81 0.04 2.28 3.38 -1.21 -1.80 115.31 119.33 2keo h LEU 31 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2keo h LEU 31 Cb 0.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2keo h LEU 31 CO -0.01 0.57 -0.02 -0.33 0.09 0.00 0.00 178.44 178.74 2keo h GLU 32 N 0.96 -0.05 -0.10 1.13 4.39 -1.22 -1.18 114.58 118.51 2keo h GLU 32 Ca 0.29 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.84 2keo h GLU 32 Cb -0.04 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2keo h GLU 32 CO -0.09 0.13 -0.60 -0.91 -1.16 0.00 0.00 179.01 176.38 2keo h ASN 33 N -0.23 0.39 0.19 1.42 2.35 -1.53 -2.90 115.58 115.27 2keo h ASN 33 Ca -0.01 -0.22 -0.17 0.00 -0.55 0.00 0.00 56.30 55.36 2keo h ASN 33 Cb 0.21 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2keo h ASN 33 CO 0.01 0.90 -0.64 -0.74 -1.65 0.00 0.00 177.43 175.31 2keo h HIS 34 N 0.26 0.56 -0.55 1.19 2.76 -1.26 -2.99 115.15 115.10 2keo h HIS 34 Ca -0.00 -0.22 -0.10 0.00 -2.20 0.00 0.00 60.37 57.84 2keo h HIS 34 Cb 1.12 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.96 2keo h HIS 34 CO 0.03 0.95 -0.05 -0.97 -1.30 0.00 0.00 177.93 176.59 2keo h ASN 35 N 0.31 0.98 -0.15 3.26 -1.24 -1.19 -2.88 115.58 114.67 2keo h ASN 35 Ca -0.01 -0.29 -0.02 0.00 0.71 0.00 0.00 56.30 56.69 2keo h ASN 35 Cb 1.18 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.96 2keo h ASN 35 CO 0.11 1.06 0.05 -1.13 -1.29 0.00 0.00 177.43 176.23 2keo h ASN 36 N 0.90 0.27 -0.08 1.15 -0.73 -1.37 -1.71 115.58 114.01 2keo h ASN 36 Ca 0.15 -0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.22 2keo h ASN 36 Cb 0.59 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 2keo h ASN 36 CO 0.04 0.29 -0.17 -0.78 -0.37 0.00 0.00 177.43 176.43 2keo h ASP 37 N 0.30 0.44 0.00 1.15 3.58 -1.41 -3.47 116.42 117.02 2keo h ASP 37 Ca 0.08 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2keo h ASP 37 Cb 0.13 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2keo h ASP 37 CO -0.00 0.64 0.00 0.61 -2.88 0.00 0.00 179.24 177.61 2keo n GLY 38 N -0.56 1.89 3.56 -0.78 0.00 -0.64 -5.06 105.19 103.60 2keo n GLY 38 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.60 0.08 -0.48 -0.02 0.00 -1.10 -4.91 107.32 99.30 2keo s GLY 39 Ca 0.00 -1.51 -0.29 0.00 0.00 0.00 0.00 44.72 42.93 2keo s GLY 39 CO 0.00 3.56 1.30 -0.12 0.00 0.00 0.00 173.10 177.84 2keo s PHE 40 N 10.63 2.54 0.35 1.90 5.36 -1.26 -3.60 117.98 133.89 2keo s PHE 40 Ca 0.72 0.62 0.07 0.00 -0.96 0.00 0.00 56.93 57.39 2keo s PHE 40 Cb -0.07 -4.40 -0.02 0.00 -0.34 0.00 0.00 43.02 38.19 2keo s PHE 40 CO 0.01 -1.70 0.32 -1.58 -1.46 0.00 0.00 175.22 170.81 2keo s TRP 41 N 5.17 2.89 0.07 10.12 0.52 -1.26 -1.31 118.94 135.14 2keo s TRP 41 Ca 0.53 -0.32 -0.04 0.00 0.02 0.00 0.00 56.10 56.29 2keo s TRP 41 Cb -0.10 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 2keo s TRP 41 CO 0.30 0.13 0.07 -0.08 0.02 0.00 0.00 176.95 177.40 2keo s THR 42 N -2.32 0.18 -0.28 2.01 -1.32 -0.93 -4.89 115.64 108.09 2keo s THR 42 Ca 0.42 -1.54 -0.02 0.00 -1.21 0.00 0.00 61.69 59.34 2keo s THR 42 Cb -0.06 -1.47 0.04 0.00 -1.51 0.00 0.00 72.50 69.50 2keo s THR 42 CO 0.27 -0.82 -0.02 0.54 -2.21 0.00 0.00 174.62 172.38 2keo s VAL 43 N -3.90 3.01 -0.02 5.08 0.11 -1.26 -1.92 120.40 121.50 2keo s VAL 43 Ca 0.07 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 57.94 2keo s VAL 43 Cb 0.07 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.28 2keo s VAL 43 CO -0.10 0.03 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.01 2keo s ILE 44 N 1.30 0.55 -1.56 7.04 1.01 -0.32 -4.82 121.20 124.39 2keo s ILE 44 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2keo s ILE 44 Cb -0.18 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2keo s ILE 44 CO -0.02 0.18 0.00 -0.67 0.00 0.00 0.00 174.94 174.43 2keo n ASP 45 N 3.24 -5.25 -1.45 3.58 2.03 -1.26 -1.48 116.55 115.96 2keo n ASP 45 Ca -0.17 0.01 -0.16 0.00 0.52 0.00 0.00 54.79 54.99 2keo n ASP 45 Cb 0.56 -4.32 -0.05 0.00 -0.72 0.00 0.00 41.12 36.59 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 -1.00 1.01 3.32 0.27 0.00 -1.26 -5.01 105.19 102.52 2keo n GLY 46 Ca -0.21 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.85 1.24 -0.16 1.61 -0.14 -0.55 -0.92 119.74 116.96 2keo s LYS 47 Ca 0.00 -1.33 -0.06 0.00 -1.36 0.00 0.00 55.97 53.22 2keo s LYS 47 Cb 0.00 -1.39 -0.04 0.00 -1.68 0.00 0.00 37.83 34.72 2keo s LYS 47 CO 0.00 0.30 0.06 0.08 -0.76 0.00 0.00 175.35 175.03 2keo s VAL 48 N -1.69 4.75 0.12 3.17 1.01 -0.49 -1.17 120.40 126.10 2keo s VAL 48 Ca 0.13 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2keo s VAL 48 Cb -0.07 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2keo s VAL 48 CO 0.06 0.50 -0.16 -0.31 0.00 0.00 0.00 175.10 175.18 2keo s TYR 49 N 0.06 1.55 -0.50 5.22 1.51 -0.81 -0.59 117.35 123.79 2keo s TYR 49 Ca 0.05 -0.49 -0.20 0.00 -1.01 0.00 0.00 57.07 55.41 2keo s TYR 49 Cb -0.12 -0.81 0.05 0.00 -0.11 0.00 0.00 41.96 40.96 2keo s TYR 49 CO 0.01 0.19 0.69 0.34 -1.11 0.00 0.00 175.55 175.66 2keo s ASP 50 N -2.29 6.26 0.08 2.29 -1.08 -1.07 -2.20 116.67 118.65 2keo s ASP 50 Ca 0.08 -0.73 0.09 0.00 -0.52 0.00 0.00 52.55 51.48 2keo s ASP 50 Cb -0.07 -2.32 -0.20 0.00 -1.46 0.00 0.00 42.92 38.87 2keo s ASP 50 CO 0.04 -0.94 1.09 0.40 0.52 0.00 0.00 175.17 176.28 2keo h ILE 51 N 5.89 1.37 -0.28 4.11 1.08 -1.54 -2.61 117.51 125.54 2keo h ILE 51 Ca -0.27 -3.10 0.01 0.00 -0.39 0.00 0.00 64.86 61.11 2keo h ILE 51 Cb 1.09 2.67 -0.02 0.00 -3.07 0.00 0.00 36.82 37.49 2keo h ILE 51 CO 0.98 0.78 0.16 0.50 -0.69 0.00 0.00 178.15 179.87 2keo h LYS 52 N 0.00 0.31 -0.38 2.37 3.11 -1.77 -1.71 116.57 118.51 2keo h LYS 52 Ca -0.10 -0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 57.58 2keo h LYS 52 Cb 1.82 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.97 2keo h LYS 52 CO 0.11 0.21 -0.31 0.22 -2.81 0.00 0.00 179.45 176.86 2keo h ASP 53 N 0.32 0.93 -0.03 4.20 3.58 -1.87 -3.22 116.42 120.33 2keo h ASP 53 Ca 0.11 -0.45 0.04 0.00 0.42 0.00 0.00 57.03 57.15 2keo h ASP 53 Cb 0.00 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 40.74 2keo h ASP 53 CO -0.06 1.19 -0.31 0.15 -2.88 0.00 0.00 179.24 177.33 2keo h PHE 54 N 0.69 -0.84 0.00 0.28 3.04 -1.06 -1.88 116.94 117.17 2keo h PHE 54 Ca 0.07 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.99 2keo h PHE 54 Cb 0.90 0.38 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 2keo h PHE 54 CO 0.06 -0.40 -0.26 -0.56 -2.02 0.00 0.00 178.31 175.14 2keo h GLN 55 N -0.44 0.00 -0.41 1.11 3.07 -1.42 0.07 115.11 117.09 2keo h GLN 55 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.71 2keo h GLN 55 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.08 2keo h GLN 55 CO -0.28 0.26 -0.15 1.15 0.09 0.00 0.00 178.83 179.90 2keo h THR 56 N 0.00 1.26 0.00 1.86 2.02 -1.43 -1.96 112.91 114.66 2keo h THR 56 Ca -0.00 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 65.88 2keo h THR 56 Cb 0.52 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2keo h THR 56 CO 0.03 0.41 -0.38 1.56 0.37 0.00 0.00 175.52 177.51 2keo h GLN 57 N 0.67 0.00 0.00 6.66 1.08 -0.46 -3.08 115.11 119.98 2keo h GLN 57 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2keo h GLN 57 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2keo h GLN 57 CO 0.04 0.38 0.00 0.77 -0.95 0.00 0.00 178.83 179.08 2keo h SER 58 N 0.00 0.00 1.07 1.46 0.02 -0.75 -3.08 113.55 112.27 2keo h SER 58 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2keo h SER 58 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2keo h SER 58 CO 0.05 0.00 -0.34 0.25 -1.14 0.00 0.00 176.83 175.65 2keo h LEU 59 N 0.00 0.00 -9.82 5.07 6.46 -1.26 -3.39 115.31 112.36 2keo h LEU 59 Ca 0.00 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 57.22 2keo h LEU 59 Cb 0.83 0.00 0.10 0.00 -0.73 0.00 0.00 40.66 40.86 2keo h LEU 59 CO 0.00 0.34 0.77 0.41 -0.62 0.00 0.00 178.44 179.34 2keo n THR 60 N -3.39 1.49 -0.20 1.05 -1.04 -1.16 -4.94 114.28 106.10 2keo n THR 60 Ca 0.01 -0.37 -0.01 0.00 -2.04 0.00 0.00 64.05 61.64 2keo n THR 60 Cb 0.53 -1.88 0.10 0.00 -1.82 0.00 0.00 70.33 67.26 2keo n THR 60 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2keo h GLU 61 N 3.79 0.41 -4.88 -2.82 4.11 -1.90 -3.38 114.58 109.91 2keo h GLU 61 Ca -0.48 -0.02 -0.67 0.00 0.07 0.00 0.00 59.36 58.25 2keo h GLU 61 Cb 1.24 -0.09 -0.35 0.00 0.50 0.00 0.00 28.75 30.05 2keo h GLU 61 CO 0.71 0.27 -0.78 -0.80 0.07 0.00 0.00 179.01 178.49 2keo s ASN 62 N -5.41 4.36 0.06 3.06 0.01 -1.26 -4.89 114.94 110.87 2keo s ASN 62 Ca -0.13 -1.20 -0.26 0.00 -0.71 0.00 0.00 52.86 50.56 2keo s ASN 62 Cb 0.17 -1.59 0.09 0.00 0.41 0.00 0.00 41.25 40.32 2keo s ASN 62 CO 0.74 -0.17 0.75 -0.55 -1.51 0.00 0.00 177.10 176.36 2keo s SER 63 N 1.19 -0.48 0.52 -1.22 0.15 -1.26 -4.94 113.70 107.65 2keo s SER 63 Ca -0.05 0.08 0.27 0.00 0.70 0.00 0.00 55.95 56.96 2keo s SER 63 Cb -0.19 0.49 1.43 0.00 -1.71 0.00 0.00 66.02 66.04 2keo s SER 63 CO -0.05 -0.76 2.06 0.16 1.20 0.00 0.00 173.24 175.85 2keo h ILE 64 N 2.12 0.55 -0.01 6.45 3.07 -1.96 -2.66 117.51 125.07 2keo h ILE 64 Ca -0.28 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.58 2keo h ILE 64 Cb 1.26 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 2keo h ILE 64 CO 0.35 0.12 -0.12 0.18 -1.05 0.00 0.00 178.15 177.63 2keo n LEU 65 N -3.62 1.50 0.10 0.16 4.77 -1.26 -3.93 117.00 114.73 2keo n LEU 65 Ca -0.02 -0.48 -0.03 0.00 -0.03 0.00 0.00 56.01 55.45 2keo n LEU 65 Cb 0.25 -0.04 0.17 0.00 -2.33 0.00 0.00 43.42 41.46 2keo n LEU 65 CO 0.30 0.26 0.53 0.00 -1.33 0.00 0.00 177.39 177.15 2keo h ALA 66 N 4.12 0.96 0.00 -1.18 0.00 -1.66 -1.16 119.26 120.34 2keo h ALA 66 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2keo h ALA 66 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2keo h ALA 66 CO 0.00 0.69 -0.26 -0.56 0.00 0.00 0.00 179.25 179.12 2keo h GLN 67 N 0.14 0.00 -0.42 0.00 3.07 -1.73 -3.20 115.11 112.96 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 1.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.58 2keo h GLN 67 CO 0.08 0.26 0.00 1.19 0.09 0.00 0.00 178.83 180.46 2keo n PHE 68 N -3.24 0.55 0.25 0.06 3.72 -0.97 -4.41 117.46 113.42 2keo n PHE 68 Ca 0.02 -0.28 0.14 0.00 -0.05 0.00 0.00 57.45 57.28 2keo n PHE 68 Cb 0.56 0.00 0.62 0.00 -0.94 0.00 0.00 39.48 39.72 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 4.26 1.05 -0.38 4.37 0.00 -1.22 -2.34 119.26 125.00 2keo h ALA 69 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2keo h ALA 69 Cb 0.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2keo h ALA 69 CO 0.00 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2keo n GLY 70 N -0.07 1.03 3.33 0.00 0.00 -1.26 -4.90 105.19 103.32 2keo n GLY 70 Ca -0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.54 1.27 0.13 1.61 2.56 -0.88 -5.12 118.70 116.73 2keo s GLU 71 Ca 0.26 -1.45 -0.34 0.00 0.00 0.00 0.00 54.97 53.44 2keo s GLU 71 Cb 0.15 -1.23 -0.14 0.00 2.00 0.00 0.00 34.13 34.91 2keo s GLU 71 CO 0.16 0.23 1.62 -3.47 -0.56 0.00 0.00 175.26 173.25 2keo n ASP 72 N 0.09 3.17 0.22 -1.70 2.03 -1.26 -4.86 116.55 114.23 2keo n ASP 72 Ca -0.12 1.07 0.08 0.00 0.52 0.00 0.00 54.79 56.34 2keo n ASP 72 Cb 0.58 -1.42 0.62 0.00 -0.72 0.00 0.00 41.12 40.18 2keo n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2keo h PRO 73 N 6.39 0.05 -0.04 -0.67 0.13 -1.96 0.20 132.00 136.11 2keo h PRO 73 Ca -0.45 -0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 2keo h PRO 73 Cb 1.25 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2keo h PRO 73 CO 0.90 0.03 -0.95 0.28 -0.23 0.00 0.00 178.00 178.03 2keo h VAL 74 N 0.05 1.30 -0.38 1.56 2.07 -1.95 -1.21 116.25 117.70 2keo h VAL 74 Ca 0.03 -2.21 -0.16 0.00 0.82 0.00 0.00 66.70 65.18 2keo h VAL 74 Cb 0.04 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2keo h VAL 74 CO -0.00 0.68 -0.39 0.58 0.02 0.00 0.00 177.57 178.46 2keo h VAL 75 N 0.40 1.27 -0.35 2.57 2.07 -1.81 -3.07 116.25 117.33 2keo h VAL 75 Ca -0.10 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 2keo h VAL 75 Cb 1.59 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2keo h VAL 75 CO 0.18 0.52 0.03 0.00 0.02 0.00 0.00 177.57 178.33 2keo h ALA 76 N 0.79 1.40 -0.56 1.67 0.00 -0.97 -2.40 119.26 119.19 2keo h ALA 76 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2keo h ALA 76 Cb 0.98 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2keo h ALA 76 CO 0.09 0.43 0.33 1.25 0.00 0.00 0.00 179.25 181.35 2keo h LEU 77 N 0.52 0.68 -0.67 0.00 5.85 -1.13 -1.75 115.31 118.81 2keo h LEU 77 Ca 0.11 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2keo h LEU 77 Cb 0.29 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2keo h LEU 77 CO 0.01 0.55 0.17 -0.33 -0.34 0.00 0.00 178.44 178.50 2keo h GLU 78 N 0.75 1.06 -0.68 1.25 5.08 -1.35 0.17 114.58 120.86 2keo h GLU 78 Ca 0.20 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2keo h GLU 78 Cb 0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2keo h GLU 78 CO -0.04 0.94 0.24 0.00 -1.00 0.00 0.00 179.01 179.16 2keo h ALA 79 N 1.07 1.14 0.00 3.43 0.00 -1.40 -1.55 119.26 121.95 2keo h ALA 79 Ca 0.21 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2keo h ALA 79 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2keo h ALA 79 CO -0.00 0.60 -0.48 0.00 0.00 0.00 0.00 179.25 179.37 2keo h ALA 80 N 1.27 0.81 -0.23 0.00 0.00 -0.82 -2.36 119.26 117.94 2keo h ALA 80 Ca 0.23 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 2keo h ALA 80 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2keo h ALA 80 CO -0.01 0.61 -0.64 -0.07 0.00 0.00 0.00 179.25 179.13 2keo h LEU 81 N 0.00 0.93 -0.27 0.00 3.38 -0.38 -1.96 115.31 117.01 2keo h LEU 81 Ca -0.00 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 2keo h LEU 81 Cb 1.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2keo h LEU 81 CO 0.06 1.33 -0.10 -0.61 0.09 0.00 0.00 178.44 179.22 2keo h GLN 82 N 0.60 0.53 -6.19 1.13 4.15 -1.19 -3.44 115.11 110.70 2keo h GLN 82 Ca -0.01 -0.22 -0.55 0.00 0.77 0.00 0.00 58.65 58.64 2keo h GLN 82 Cb 1.25 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.88 2keo h GLN 82 CO 0.14 0.77 0.16 0.12 -1.93 0.00 0.00 178.83 178.09 2keo s PHE 83 N -4.68 3.64 0.16 3.99 5.36 -0.90 -4.98 117.98 120.57 2keo s PHE 83 Ca -0.13 1.41 -0.11 0.00 -0.96 0.00 0.00 56.93 57.13 2keo s PHE 83 Cb 0.08 -2.87 0.02 0.00 -0.34 0.00 0.00 43.02 39.91 2keo s PHE 83 CO 0.78 0.13 1.60 1.05 -1.46 0.00 0.00 175.22 177.31 2keo h GLU 84 N 6.41 0.93 0.00 10.12 4.11 -1.85 -1.98 114.58 132.33 2keo h GLU 84 Ca -0.42 -0.31 -0.06 0.00 0.07 0.00 0.00 59.36 58.64 2keo h GLU 84 Cb 1.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2keo h GLU 84 CO 0.74 0.97 -0.28 0.22 0.07 0.00 0.00 179.01 180.73 2keo h ASP 85 N 0.80 0.00 0.31 3.06 3.58 -1.94 -3.12 116.42 119.11 2keo h ASP 85 Ca 0.14 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.26 2keo h ASP 85 Cb 0.57 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.58 2keo h ASP 85 CO 0.03 0.28 -1.88 0.35 -2.88 0.00 0.00 179.24 175.14 2keo n THR 86 N -3.71 1.66 0.32 2.25 -2.24 -1.15 -4.38 114.28 107.04 2keo n THR 86 Ca -0.01 -0.74 0.11 0.00 -2.27 0.00 0.00 64.05 61.14 2keo n THR 86 Cb 0.39 -1.29 0.49 0.00 -2.10 0.00 0.00 70.33 67.82 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 -3.21 0.16 -0.21 -0.78 1.85 -0.74 -1.68 116.66 112.06 2keo n ARG 87 Ca -0.25 0.48 0.05 0.00 -1.00 0.00 0.00 57.85 57.13 2keo n ARG 87 Cb 1.05 -1.86 0.32 0.00 -1.05 0.00 0.00 32.46 30.92 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 0.81 0.04 2.89 4.11 -1.76 0.59 114.58 121.26 2keo h GLU 88 Ca 0.00 -0.05 -0.24 0.00 0.07 0.00 0.00 59.36 59.14 2keo h GLU 88 Cb 0.24 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2keo h GLU 88 CO 0.00 0.54 -1.03 1.03 0.07 0.00 0.00 179.01 179.62 2keo h SER 89 N 0.84 0.49 0.73 3.06 0.87 -1.63 -3.12 113.55 114.79 2keo h SER 89 Ca 0.32 -0.43 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2keo h SER 89 Cb 0.21 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2keo h SER 89 CO -0.11 1.26 -0.07 0.24 -0.53 0.00 0.00 176.83 177.62 2keo h MET 90 N 0.18 0.00 0.00 2.24 2.86 -1.50 -1.01 114.93 117.70 2keo h MET 90 Ca -0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2keo h MET 90 Cb 1.69 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.35 2keo h MET 90 CO 0.17 0.07 -0.06 1.25 1.06 0.00 0.00 176.91 179.40 2keo h HIS 91 N 0.00 0.00 0.00 -0.22 6.17 -0.83 -1.12 115.15 119.14 2keo h HIS 91 Ca -0.00 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.77 2keo h HIS 91 Cb 0.45 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.32 2keo h HIS 91 CO 0.00 0.06 -1.88 0.00 0.71 0.00 0.00 177.93 176.82 2keo n ALA 92 N -2.15 1.50 0.20 5.26 0.00 -0.44 -4.35 120.51 120.54 2keo n ALA 92 Ca -0.01 -0.91 0.09 0.00 0.00 0.00 0.00 53.44 52.61 2keo n ALA 92 Cb 0.27 -0.69 0.32 0.00 0.00 0.00 0.00 19.45 19.35 2keo n ALA 92 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2keo h PHE 93 N 0.00 0.00 -2.07 0.00 0.04 -0.99 -3.43 116.94 110.49 2keo h PHE 93 Ca -0.35 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 59.91 2keo h PHE 93 Cb 2.07 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.18 2keo h PHE 93 CO 0.00 0.25 1.34 0.00 -0.60 0.00 0.00 178.31 179.30 2keo h VAL 95 N 6.86 1.27 0.00 0.00 2.07 -1.12 -3.49 116.25 121.85 2keo h VAL 95 Ca -0.27 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2keo h VAL 95 Cb 1.16 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2keo h VAL 95 CO 1.20 0.38 0.00 0.61 0.02 0.00 0.00 177.57 179.79 2keo n GLY 96 N -0.41 -0.56 3.71 2.17 0.00 -1.20 -4.55 105.19 104.36 2keo n GLY 96 Ca -0.02 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.77 3.73 0.07 1.61 0.74 -0.57 -1.39 119.66 123.08 2keo s GLN 97 Ca 0.00 -0.29 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 2keo s GLN 97 Cb 0.00 -3.17 -0.05 0.00 1.10 0.00 0.00 33.01 30.89 2keo s GLN 97 CO 0.00 0.46 1.13 -0.47 -0.55 0.00 0.00 175.29 175.86 2keo s TYR 98 N -0.15 3.51 -0.06 1.67 5.04 -0.10 -1.64 117.35 125.64 2keo s TYR 98 Ca 0.08 1.44 0.06 0.00 -2.44 0.00 0.00 57.07 56.20 2keo s TYR 98 Cb -0.12 -3.33 -0.01 0.00 0.35 0.00 0.00 41.96 38.85 2keo s TYR 98 CO 0.01 -0.89 -0.23 -1.17 -1.34 0.00 0.00 175.55 171.93 2keo s LEU 99 N 0.79 2.03 0.10 6.97 2.96 -0.81 -4.79 118.68 125.93 2keo s LEU 99 Ca 0.56 -0.47 -0.24 0.00 -0.22 0.00 0.00 54.13 53.76 2keo s LEU 99 Cb -0.28 -1.27 -0.07 0.00 0.50 0.00 0.00 46.19 45.08 2keo s LEU 99 CO 0.30 0.22 0.72 -1.61 -1.32 0.00 0.00 176.35 174.65 2keo s GLU 100 N -0.08 4.46 0.62 1.98 2.02 -1.26 -3.97 118.70 122.47 2keo s GLU 100 Ca -0.05 1.02 0.37 0.00 0.02 0.00 0.00 54.97 56.33 2keo s GLU 100 Cb -0.13 -3.30 2.07 0.00 0.10 0.00 0.00 34.13 32.87 2keo s GLU 100 CO 0.04 0.48 2.29 -1.00 0.02 0.00 0.00 175.26 177.08 2keo h PRO 101 N 4.89 0.00 0.15 0.39 0.13 -1.98 -2.00 132.00 133.58 2keo h PRO 101 Ca -0.46 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.34 2keo h PRO 101 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2keo h PRO 101 CO 0.67 0.01 -1.65 0.22 -0.23 0.00 0.00 178.00 177.03 2keo h ASP 102 N 0.00 0.48 -0.66 1.44 3.58 -1.93 -3.37 116.42 115.96 2keo h ASP 102 Ca -0.00 -0.71 -0.04 0.00 0.42 0.00 0.00 57.03 56.70 2keo h ASP 102 Cb 0.05 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 2keo h ASP 102 CO 0.00 1.60 0.27 -0.61 -2.88 0.00 0.00 179.24 177.62 2keo h GLN 103 N 0.08 0.98 -0.64 0.28 5.75 -1.76 -2.37 115.11 117.43 2keo h GLN 103 Ca -0.29 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.01 2keo h GLN 103 Cb 2.06 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 30.41 2keo h GLN 103 CO 0.17 0.82 0.33 1.05 -2.65 0.00 0.00 178.83 178.54 2keo h GLU 104 N 0.93 0.89 -4.40 1.69 4.11 -1.71 -3.33 114.58 112.76 2keo h GLU 104 Ca 0.22 -0.10 -0.75 0.00 0.07 0.00 0.00 59.36 58.79 2keo h GLU 104 Cb 0.20 -0.17 -0.19 0.00 0.50 0.00 0.00 28.75 29.08 2keo h GLU 104 CO -0.02 0.67 1.27 0.41 0.07 0.00 0.00 179.01 181.41 2keo n GLY 105 N -1.18 3.68 3.02 1.06 0.00 -0.89 -4.94 105.19 105.94 2keo n GLY 105 Ca 0.06 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 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 0.89 -0.01 -0.05 1.61 0.11 -1.25 -4.94 120.40 116.75 2keo s VAL 106 Ca 0.40 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 2keo s VAL 106 Cb -0.03 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 2keo s VAL 106 CO -0.01 0.02 -0.17 0.28 -3.33 0.00 0.00 175.10 171.89 2keo s THR 107 N 0.38 1.42 -0.32 5.04 -1.32 -1.26 -5.13 115.64 114.44 2keo s THR 107 Ca -0.02 -0.69 -0.15 0.00 -1.21 0.00 0.00 61.69 59.62 2keo s THR 107 Cb -0.04 -1.23 -0.02 0.00 -1.51 0.00 0.00 72.50 69.70 2keo s THR 107 CO -0.02 0.41 0.38 -0.63 -2.21 0.00 0.00 174.62 172.55 2keo s ILE 108 N 0.22 5.15 0.77 5.08 1.01 -1.26 -5.09 121.20 127.08 2keo s ILE 108 Ca -0.08 0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.66 2keo s ILE 108 Cb -0.13 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.60 2keo s ILE 108 CO 0.03 -0.03 1.23 -2.84 0.00 0.00 0.00 174.94 173.33 2keo s PRO 109 N 2.07 1.85 -0.16 2.79 0.02 -1.26 -4.89 135.00 135.42 2keo s PRO 109 Ca 0.13 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 62.71 2keo s PRO 109 Cb -0.16 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 2keo s PRO 109 CO 0.11 -2.08 2.05 0.16 -0.33 0.00 0.00 177.00 176.92 2keo s ASP 110 N -1.95 5.86 -0.30 2.53 -4.77 -1.26 -4.91 116.67 111.88 2keo s ASP 110 Ca 0.76 2.02 -0.06 0.00 -3.30 0.00 0.00 52.55 51.97 2keo s ASP 110 Cb -0.31 -2.52 0.19 0.00 -1.09 0.00 0.00 42.92 39.19 2keo s ASP 110 CO 0.48 -1.62 0.88 -0.22 0.70 0.00 0.00 175.17 175.39 2keo s LEU 111 N 6.80 -0.84 0.00 2.11 1.98 -1.26 -5.36 118.68 122.11 2keo s LEU 111 Ca 0.92 0.22 0.27 0.00 -2.89 0.00 0.00 54.13 52.66 2keo s LEU 111 Cb -0.34 1.58 0.89 0.00 0.66 0.00 0.00 46.19 48.99 2keo s LEU 111 CO 0.36 -0.15 1.65 0.61 -1.89 0.00 0.00 176.35 176.93