#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7s s GLN 2 N 0.00 3.07 -0.29 0.00 2.00 -1.26 -4.76 119.66 118.42 2i7s s GLN 2 Ca 0.00 -1.17 0.18 0.00 -2.00 0.00 0.00 55.36 52.37 2i7s s GLN 2 Cb 0.00 -4.20 0.48 0.00 0.80 0.00 0.00 33.01 30.09 2i7s s GLN 2 CO 0.00 -1.41 1.08 0.00 -0.50 0.00 0.00 175.29 174.47 2i7s s SER 4 N -3.59 -0.11 -0.05 0.00 0.01 -1.26 -1.51 113.70 107.20 2i7s s SER 4 Ca 0.32 -0.65 -0.06 0.00 1.31 0.00 0.00 55.95 56.87 2i7s s SER 4 Cb 0.37 0.50 0.01 0.00 0.21 0.00 0.00 66.02 67.11 2i7s s SER 4 CO -0.02 -0.96 0.15 0.54 0.41 0.00 0.00 173.24 173.36 2i7s s VAL 5 N -3.91 0.02 -0.34 3.43 0.11 -0.64 -4.95 120.40 114.12 2i7s s VAL 5 Ca 0.12 -0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 58.89 2i7s s VAL 5 Cb 0.01 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2i7s s VAL 5 CO -0.02 -0.08 0.30 -1.81 -3.33 0.00 0.00 175.10 170.16 2i7s s ASP 6 N -0.21 6.12 -0.07 3.54 1.01 -1.26 -1.25 116.67 124.54 2i7s s ASP 6 Ca -0.03 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 52.95 2i7s s ASP 6 Cb -0.02 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 2i7s s ASP 6 CO 0.00 -0.27 -0.12 -0.63 0.21 0.00 0.00 175.17 174.36 2i7s s ILE 7 N 1.87 3.20 0.06 0.77 -1.09 -0.34 -4.98 121.20 120.69 2i7s s ILE 7 Ca 0.09 -0.66 0.07 0.00 -2.23 0.00 0.00 60.65 57.92 2i7s s ILE 7 Cb -0.17 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2i7s s ILE 7 CO 0.11 0.57 -0.14 -1.10 -1.23 0.00 0.00 174.94 173.16 2i7s s GLN 8 N -0.47 2.14 -0.14 2.79 -0.21 -1.26 -1.09 119.66 121.42 2i7s s GLN 8 Ca 0.06 -0.97 0.01 0.00 0.02 0.00 0.00 55.36 54.48 2i7s s GLN 8 Cb -0.12 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.62 2i7s s GLN 8 CO 0.02 0.53 -0.18 0.20 -2.12 0.00 0.00 175.29 173.74 2i7s s GLY 9 N -1.76 1.42 0.25 3.09 0.00 -0.63 -2.11 107.32 107.59 2i7s s GLY 9 Ca 0.17 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.89 2i7s s GLY 9 CO 0.09 -0.06 0.22 1.16 0.00 0.00 0.00 173.10 174.51 2i7s n ASN 10 N 3.93 1.60 0.00 1.64 0.23 -0.97 -3.83 115.26 117.86 2i7s n ASN 10 Ca -0.19 -1.82 0.12 0.00 -0.53 0.00 0.00 54.58 52.16 2i7s n ASN 10 Cb 0.52 -0.06 0.66 0.00 -2.08 0.00 0.00 39.78 38.82 2i7s n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2i7s n ASP 11 N -2.10 0.00 -1.21 0.53 8.00 -1.26 -2.71 116.55 117.80 2i7s n ASP 11 Ca 0.01 -0.22 0.11 0.00 0.71 0.00 0.00 54.79 55.40 2i7s n ASP 11 Cb 0.28 -0.23 0.28 0.00 -0.02 0.00 0.00 41.12 41.44 2i7s n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i7s n GLN 12 N -1.23 2.53 -3.20 -1.24 6.02 -1.26 -4.95 117.38 114.05 2i7s n GLN 12 Ca 0.13 -2.36 -0.15 0.00 -0.01 0.00 0.00 57.00 54.61 2i7s n GLN 12 Cb 0.18 -1.52 0.06 0.00 1.02 0.00 0.00 30.24 29.98 2i7s n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 2i7s n MET 13 N 1.45 -5.43 -4.43 -1.09 0.00 -1.10 -5.04 117.12 101.49 2i7s n MET 13 Ca 0.22 0.61 -0.21 0.00 -0.00 0.00 0.00 57.70 58.31 2i7s n MET 13 Cb 0.57 -4.95 -0.14 0.00 0.00 0.00 0.00 33.22 28.70 2i7s n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2i7s s GLN 14 N -5.59 1.03 0.49 2.12 -1.52 -1.26 -4.38 119.66 110.55 2i7s s GLN 14 Ca 0.27 -0.78 -0.10 0.00 -1.95 0.00 0.00 55.36 52.80 2i7s s GLN 14 Cb -0.12 -1.06 -0.06 0.00 -0.22 0.00 0.00 33.01 31.56 2i7s s GLN 14 CO 0.53 0.27 0.87 -0.06 -0.25 0.00 0.00 175.29 176.64 2i7s s PHE 15 N -0.81 3.52 -2.23 0.91 0.08 -1.26 -2.30 117.98 115.89 2i7s s PHE 15 Ca 0.03 1.12 0.30 0.00 0.12 0.00 0.00 56.93 58.49 2i7s s PHE 15 Cb -0.08 -2.53 1.41 0.00 -0.57 0.00 0.00 43.02 41.26 2i7s s PHE 15 CO 0.01 -0.31 1.95 0.27 -0.10 0.00 0.00 175.22 177.04 2i7s n ASN 16 N -1.87 0.81 -3.84 1.36 6.94 -0.90 -4.83 115.26 112.94 2i7s n ASN 16 Ca 0.03 -1.23 -0.12 0.00 -0.02 0.00 0.00 54.58 53.25 2i7s n ASN 16 Cb 0.54 -0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.86 2i7s n ASN 16 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2i7s s THR 17 N -2.04 0.07 -0.11 5.53 2.01 -1.26 -5.02 115.64 114.82 2i7s s THR 17 Ca 0.41 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.84 2i7s s THR 17 Cb 0.21 -0.48 0.08 0.00 0.01 0.00 0.00 72.50 72.32 2i7s s THR 17 CO 0.36 -0.33 1.05 0.59 -0.69 0.00 0.00 174.62 175.60 2i7s n ASN 18 N 1.45 2.17 -3.70 3.53 3.02 -1.26 -4.90 115.26 115.57 2i7s n ASN 18 Ca -0.22 -2.15 -0.11 0.00 -0.03 0.00 0.00 54.58 52.07 2i7s n ASN 18 Cb 0.56 -0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.53 2i7s n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i7s s ALA 19 N -1.26 -0.97 -0.08 5.41 0.00 -1.26 -2.06 121.76 121.53 2i7s s ALA 19 Ca 0.07 1.42 0.04 0.00 0.00 0.00 0.00 51.96 53.48 2i7s s ALA 19 Cb 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2i7s s ALA 19 CO 0.02 -0.25 -0.21 0.42 0.00 0.00 0.00 175.76 175.75 2i7s s ILE 20 N 1.27 1.78 -0.14 0.00 1.01 0.02 -4.99 121.20 120.15 2i7s s ILE 20 Ca -0.09 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 2i7s s ILE 20 Cb -0.08 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 2i7s s ILE 20 CO -0.11 0.50 -0.00 0.42 0.00 0.00 0.00 174.94 175.75 2i7s s THR 21 N 0.33 4.23 -0.21 2.92 -4.23 -1.26 -1.53 115.64 115.89 2i7s s THR 21 Ca -0.15 -0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 59.99 2i7s s THR 21 Cb -0.16 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 2i7s s THR 21 CO 0.06 0.53 0.25 -0.69 -0.54 0.00 0.00 174.62 174.23 2i7s s VAL 22 N -0.08 5.31 -0.02 2.29 1.01 0.11 -4.96 120.40 124.06 2i7s s VAL 22 Ca 0.04 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 2i7s s VAL 22 Cb -0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2i7s s VAL 22 CO 0.02 0.35 1.14 -0.62 0.00 0.00 0.00 175.10 175.99 2i7s s ASP 23 N 0.81 7.13 0.19 3.32 2.15 -1.26 -0.59 116.67 128.43 2i7s s ASP 23 Ca 0.13 1.81 0.13 0.00 0.43 0.00 0.00 52.55 55.05 2i7s s ASP 23 Cb -0.13 -2.57 0.71 0.00 -0.30 0.00 0.00 42.92 40.63 2i7s s ASP 23 CO 0.04 -0.48 1.41 1.17 -0.17 0.00 0.00 175.17 177.14 2i7s n LYS 24 N 4.62 0.09 -0.15 4.34 0.00 0.55 -1.15 118.16 126.45 2i7s n LYS 24 Ca 0.09 0.56 0.08 0.00 0.00 0.00 0.00 58.31 59.05 2i7s n LYS 24 Cb 0.47 -1.77 0.26 0.00 0.00 0.00 0.00 35.03 33.99 2i7s n LYS 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2i7s n SER 25 N -1.95 1.91 -4.76 3.14 3.41 -1.26 -4.84 113.62 109.27 2i7s n SER 25 Ca -0.01 -1.88 -0.39 0.00 -0.26 0.00 0.00 58.87 56.34 2i7s n SER 25 Cb 0.04 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.74 2i7s n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i7s h LYS 27 N 5.65 0.16 -5.14 0.00 3.64 -1.89 -3.42 116.57 115.56 2i7s h LYS 27 Ca -0.45 -0.27 -0.36 0.00 -1.27 0.00 0.00 60.65 58.31 2i7s h LYS 27 Cb 1.20 0.10 -0.19 0.00 -0.41 0.00 0.00 32.23 32.94 2i7s h LYS 27 CO 0.70 1.08 -0.75 -0.65 -2.27 0.00 0.00 179.45 177.56 2i7s s GLN 28 N -2.66 0.88 -0.02 1.90 -0.21 -1.26 -1.10 119.66 117.18 2i7s s GLN 28 Ca -0.03 -1.13 0.04 0.00 0.02 0.00 0.00 55.36 54.25 2i7s s GLN 28 Cb 0.08 -0.68 -0.00 0.00 1.00 0.00 0.00 33.01 33.41 2i7s s GLN 28 CO 0.85 0.12 -0.13 0.12 -2.12 0.00 0.00 175.29 174.13 2i7s s PHE 29 N -2.13 1.30 -0.06 0.91 5.36 -0.15 -4.86 117.98 118.35 2i7s s PHE 29 Ca 0.05 -0.31 0.06 0.00 -0.96 0.00 0.00 56.93 55.77 2i7s s PHE 29 Cb -0.05 -0.87 -0.01 0.00 -0.34 0.00 0.00 43.02 41.75 2i7s s PHE 29 CO 0.01 -0.08 -0.25 0.99 -1.46 0.00 0.00 175.22 174.43 2i7s s THR 30 N -0.08 2.05 -0.20 0.12 2.01 -0.57 -1.47 115.64 117.50 2i7s s THR 30 Ca 0.00 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 60.90 2i7s s THR 30 Cb -0.08 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 2i7s s THR 30 CO 0.00 0.57 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.79 2i7s s VAL 31 N -0.14 3.68 -0.43 3.82 1.01 -0.02 -1.63 120.40 126.69 2i7s s VAL 31 Ca -0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 2i7s s VAL 31 Cb -0.14 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.63 2i7s s VAL 31 CO 0.04 0.43 0.32 0.20 0.00 0.00 0.00 175.10 176.08 2i7s s ASN 32 N 1.15 5.98 -0.08 3.32 0.01 -0.38 -1.20 114.94 123.73 2i7s s ASN 32 Ca 0.02 -1.20 -0.14 0.00 -0.71 0.00 0.00 52.86 50.84 2i7s s ASN 32 Cb -0.15 -2.12 -0.05 0.00 0.41 0.00 0.00 41.25 39.35 2i7s s ASN 32 CO 0.00 -0.54 0.34 -0.22 -1.51 0.00 0.00 177.10 175.18 2i7s s LEU 33 N 1.60 4.36 0.18 0.60 2.96 0.41 -1.20 118.68 127.59 2i7s s LEU 33 Ca 0.04 0.73 0.04 0.00 -0.22 0.00 0.00 54.13 54.71 2i7s s LEU 33 Cb -0.22 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 2i7s s LEU 33 CO 0.07 0.23 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.33 2i7s s SER 34 N -0.37 1.75 -0.41 3.68 1.04 -0.25 -1.64 113.70 117.49 2i7s s SER 34 Ca 0.20 -1.11 0.02 0.00 0.48 0.00 0.00 55.95 55.54 2i7s s SER 34 Cb -0.15 0.01 0.13 0.00 0.10 0.00 0.00 66.02 66.11 2i7s s SER 34 CO 0.09 -0.42 0.21 -2.28 0.98 0.00 0.00 173.24 171.82 2i7s s HIS 35 N -3.39 1.87 0.80 5.02 2.46 -1.10 -1.60 115.29 119.34 2i7s s HIS 35 Ca 0.22 -2.28 -0.11 0.00 0.47 0.00 0.00 55.06 53.36 2i7s s HIS 35 Cb 0.04 -1.81 0.07 0.00 -0.13 0.00 0.00 32.58 30.75 2i7s s HIS 35 CO 0.04 -0.80 1.09 -1.25 -2.47 0.00 0.00 174.74 171.35 2i7s s PRO 36 N 0.59 2.07 0.00 2.88 0.04 -1.25 -1.42 135.00 137.91 2i7s s PRO 36 Ca 0.16 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2i7s s PRO 36 Cb -0.23 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2i7s s PRO 36 CO -0.03 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.77 2i7s n GLY 37 N -1.91 1.05 0.00 0.56 0.00 -1.26 -4.25 105.19 99.37 2i7s n GLY 37 Ca 0.07 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2i7s n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2i7s n ASN 38 N 0.00 1.06 -4.83 1.61 3.02 -1.26 -4.25 115.26 110.60 2i7s n ASN 38 Ca 0.00 -1.43 -0.37 0.00 -0.03 0.00 0.00 54.58 52.75 2i7s n ASN 38 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 2i7s n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2i7s s LEU 39 N -0.43 4.40 0.82 3.41 1.43 -1.26 -4.83 118.68 122.23 2i7s s LEU 39 Ca 0.00 1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 54.15 2i7s s LEU 39 Cb 0.00 -3.15 0.11 0.00 0.03 0.00 0.00 46.19 43.18 2i7s s LEU 39 CO 0.00 0.16 1.18 -2.16 0.23 0.00 0.00 176.35 175.76 2i7s s PRO 40 N -1.65 1.67 0.32 1.29 0.04 -1.26 -1.53 135.00 133.88 2i7s s PRO 40 Ca 0.35 -0.13 0.26 0.00 0.04 0.00 0.00 61.00 61.52 2i7s s PRO 40 Cb -0.17 -1.98 0.98 0.00 0.04 0.00 0.00 34.50 33.37 2i7s s PRO 40 CO 0.19 -1.73 1.77 1.57 0.04 0.00 0.00 177.00 178.85 2i7s h LYS 41 N -1.10 0.00 0.00 4.56 2.10 -1.85 -0.34 116.57 119.95 2i7s h LYS 41 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2i7s h LYS 41 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2i7s h LYS 41 CO 0.57 0.00 0.00 -2.95 -2.00 0.00 0.00 179.45 175.07 2i7s h ASN 42 N 0.00 0.00 0.00 7.07 -1.07 -1.95 -2.09 115.58 117.54 2i7s h ASN 42 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2i7s h ASN 42 Cb 0.52 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.77 2i7s h ASN 42 CO 0.00 0.00 -0.42 1.33 0.07 0.00 0.00 177.43 178.41 2i7s n VAL 43 N -2.60 0.00 -2.76 6.14 0.24 -1.03 -4.82 118.33 113.49 2i7s n VAL 43 Ca 0.04 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 62.07 2i7s n VAL 43 Cb 0.44 0.76 0.08 0.00 -1.47 0.00 0.00 33.84 33.65 2i7s n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2i7s n MET 44 N -1.15 1.55 -2.32 7.34 0.00 -0.17 -5.02 117.12 117.35 2i7s n MET 44 Ca 0.00 -2.56 -0.37 0.00 -0.00 0.00 0.00 57.70 54.77 2i7s n MET 44 Cb 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 33.22 32.44 2i7s n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2i7s s GLY 45 N -2.67 2.74 -0.01 -5.12 0.00 -0.79 -4.73 107.32 96.75 2i7s s GLY 45 Ca 0.20 0.87 0.03 0.00 0.00 0.00 0.00 44.72 45.81 2i7s s GLY 45 CO -0.07 1.30 -0.09 0.30 0.00 0.00 0.00 173.10 174.54 2i7s s HIS 46 N -1.61 0.81 0.39 1.90 3.76 -0.36 -4.66 115.29 115.52 2i7s s HIS 46 Ca 0.64 -0.16 0.04 0.00 -0.15 0.00 0.00 55.06 55.43 2i7s s HIS 46 Cb -0.26 -0.53 -0.05 0.00 1.11 0.00 0.00 32.58 32.84 2i7s s HIS 46 CO 0.32 -0.03 0.05 0.54 -0.85 0.00 0.00 174.74 174.77 2i7s s ASN 47 N -0.13 3.02 -0.18 1.40 2.20 -1.26 -0.39 114.94 119.60 2i7s s ASN 47 Ca 0.02 -1.47 0.00 0.00 -0.94 0.00 0.00 52.86 50.47 2i7s s ASN 47 Cb -0.04 0.05 0.04 0.00 -2.00 0.00 0.00 41.25 39.29 2i7s s ASN 47 CO -0.00 -0.67 -0.09 0.86 -2.94 0.00 0.00 177.10 174.26 2i7s s TRP 48 N -3.10 2.15 -0.03 1.54 -0.00 -1.26 -4.00 118.94 114.24 2i7s s TRP 48 Ca 0.29 -1.39 0.04 0.00 -0.00 0.00 0.00 56.10 55.04 2i7s s TRP 48 Cb 0.07 -1.53 -0.00 0.00 -0.00 0.00 0.00 33.47 32.01 2i7s s TRP 48 CO 0.14 -0.69 -0.14 0.08 -0.00 0.00 0.00 176.95 176.33 2i7s s VAL 49 N 1.48 1.19 -0.09 5.86 1.01 -0.43 -1.44 120.40 127.98 2i7s s VAL 49 Ca -0.00 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2i7s s VAL 49 Cb -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2i7s s VAL 49 CO -0.08 0.35 -0.22 -0.22 0.00 0.00 0.00 175.10 174.93 2i7s s LEU 50 N 0.05 2.01 0.28 3.92 2.96 -0.32 -1.49 118.68 126.08 2i7s s LEU 50 Ca -0.03 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 2i7s s LEU 50 Cb -0.10 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 2i7s s LEU 50 CO 0.01 0.14 0.44 -0.94 -1.32 0.00 0.00 176.35 174.68 2i7s s SER 51 N 0.39 0.26 0.74 3.68 1.04 -0.81 -0.63 113.70 118.37 2i7s s SER 51 Ca -0.18 -1.17 -0.14 0.00 0.48 0.00 0.00 55.95 54.94 2i7s s SER 51 Cb -0.18 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.58 2i7s s SER 51 CO 0.08 -1.17 1.17 0.42 0.98 0.00 0.00 173.24 174.72 2i7s s THR 52 N -3.68 2.57 0.40 2.02 -4.23 -1.26 -0.77 115.64 110.69 2i7s s THR 52 Ca 0.27 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 61.11 2i7s s THR 52 Cb 0.00 -2.75 0.26 0.00 1.34 0.00 0.00 72.50 71.35 2i7s s THR 52 CO 0.13 -0.17 2.05 0.00 -0.54 0.00 0.00 174.62 176.09 2i7s h ALA 53 N -0.44 1.68 -0.07 3.99 0.00 -1.35 -1.60 119.26 121.47 2i7s h ALA 53 Ca -0.47 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2i7s h ALA 53 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2i7s h ALA 53 CO 0.50 0.29 -0.19 0.00 0.00 0.00 0.00 179.25 179.84 2i7s h ALA 54 N 1.73 1.55 0.00 0.00 0.00 -1.91 -2.96 119.26 117.67 2i7s h ALA 54 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2i7s h ALA 54 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2i7s h ALA 54 CO -0.03 0.33 -0.61 -0.25 0.00 0.00 0.00 179.25 178.69 2i7s n ASP 55 N -4.26 0.59 -0.20 0.00 8.00 -0.64 -4.48 116.55 115.57 2i7s n ASP 55 Ca -0.02 -0.37 0.01 0.00 0.71 0.00 0.00 54.79 55.12 2i7s n ASP 55 Cb 0.28 0.39 0.10 0.00 -0.02 0.00 0.00 41.12 41.88 2i7s n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2i7s h MET 56 N 0.00 0.18 -0.35 -1.24 1.85 -1.29 -2.20 114.93 111.89 2i7s h MET 56 Ca 0.00 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 58.99 2i7s h MET 56 Cb 0.51 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.49 2i7s h MET 56 CO 0.00 0.12 -0.13 0.37 -0.40 0.00 0.00 176.91 176.87 2i7s h GLN 57 N 0.19 0.62 -0.30 0.39 4.15 -1.80 -0.13 115.11 118.23 2i7s h GLN 57 Ca 0.31 -0.20 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 2i7s h GLN 57 Cb 0.49 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2i7s h GLN 57 CO -0.45 0.74 -0.24 0.78 -1.93 0.00 0.00 178.83 177.73 2i7s h GLY 58 N 0.97 0.75 0.66 2.39 0.00 -1.75 -0.90 103.07 105.19 2i7s h GLY 58 Ca 0.10 -0.74 0.05 0.00 0.00 0.00 0.00 47.33 46.74 2i7s h GLY 58 CO 0.04 0.67 0.18 -2.08 0.00 0.00 0.00 176.54 175.34 2i7s h VAL 59 N 0.44 0.90 -0.36 4.60 2.07 -1.13 -0.77 116.25 121.99 2i7s h VAL 59 Ca 0.06 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2i7s h VAL 59 Cb 0.80 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2i7s h VAL 59 CO 0.06 0.07 0.12 0.58 0.02 0.00 0.00 177.57 178.42 2i7s h VAL 60 N 0.37 1.20 -0.29 2.57 2.07 -0.96 -0.35 116.25 120.87 2i7s h VAL 60 Ca 0.20 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 2i7s h VAL 60 Cb 0.17 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2i7s h VAL 60 CO -0.18 0.23 -0.11 0.74 0.02 0.00 0.00 177.57 178.26 2i7s h THR 61 N 0.44 1.29 -0.00 2.57 2.02 -0.99 -1.24 112.91 117.00 2i7s h THR 61 Ca 0.12 -1.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 2i7s h THR 61 Cb 0.23 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2i7s h THR 61 CO -0.01 0.38 -0.38 0.44 0.37 0.00 0.00 175.52 176.32 2i7s h ASP 62 N 0.33 0.01 -0.06 4.18 3.32 -1.14 -2.91 116.42 120.14 2i7s h ASP 62 Ca 0.07 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2i7s h ASP 62 Cb 0.62 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 2i7s h ASP 62 CO 0.04 0.38 0.03 1.23 -1.72 0.00 0.00 179.24 179.20 2i7s h GLY 63 N 1.13 0.09 0.80 2.75 0.00 -0.74 -2.43 103.07 104.68 2i7s h GLY 63 Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.33 2i7s h GLY 63 CO 0.05 0.04 0.60 1.98 0.00 0.00 0.00 176.54 179.21 2i7s h MET 64 N 0.00 1.09 0.00 4.80 1.85 -1.04 -2.04 114.93 119.58 2i7s h MET 64 Ca 0.02 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 2i7s h MET 64 Cb 0.09 -0.25 0.00 0.00 0.43 0.00 0.00 31.60 31.87 2i7s h MET 64 CO -0.00 0.72 0.00 0.00 -0.40 0.00 0.00 176.91 177.23 2i7s h ALA 65 N 1.41 1.00 0.00 0.39 0.00 -1.35 -2.75 119.26 117.96 2i7s h ALA 65 Ca 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 2i7s h ALA 65 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2i7s h ALA 65 CO -0.15 0.00 -0.42 0.77 0.00 0.00 0.00 179.25 179.45 2i7s h SER 66 N 0.00 0.00 -4.01 0.00 0.02 -0.88 -3.50 113.55 105.18 2i7s h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2i7s h SER 66 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2i7s h SER 66 CO 0.00 0.42 0.00 0.61 -1.14 0.00 0.00 176.83 176.72 2i7s n GLY 67 N 0.78 -1.91 0.36 -3.77 0.00 -1.04 -4.22 105.19 95.40 2i7s n GLY 67 Ca 0.01 -1.50 0.04 0.00 0.00 0.00 0.00 46.02 44.56 2i7s n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2i7s h LEU 68 N 0.00 0.98 -1.32 0.99 5.85 -1.91 0.47 115.31 120.37 2i7s h LEU 68 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2i7s h LEU 68 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2i7s h LEU 68 CO 0.00 0.60 0.00 -2.24 -0.34 0.00 0.00 178.44 176.46 2i7s h ASP 69 N 1.10 0.00 -0.37 1.25 2.03 -2.02 -1.23 116.42 117.18 2i7s h ASP 69 Ca 0.44 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.60 2i7s h ASP 69 Cb 0.26 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.68 2i7s h ASP 69 CO -0.20 0.00 -0.00 0.29 -1.03 0.00 0.00 179.24 178.30 2i7s n LYS 70 N -2.73 2.23 -2.16 4.15 5.02 -0.55 -4.94 118.16 119.17 2i7s n LYS 70 Ca 0.01 -3.06 -0.21 0.00 -2.02 0.00 0.00 58.31 53.03 2i7s n LYS 70 Cb 0.24 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.36 2i7s n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2i7s n ASP 71 N -0.92 -5.72 -3.82 4.39 9.92 -0.47 -1.79 116.55 118.13 2i7s n ASP 71 Ca 0.31 0.15 -0.29 0.00 -0.53 0.00 0.00 54.79 54.43 2i7s n ASP 71 Cb 1.03 -4.85 0.03 0.00 -0.64 0.00 0.00 41.12 36.69 2i7s n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2i7s n TYR 72 N -3.50 -2.32 -4.32 1.24 4.01 0.05 -4.70 117.16 107.61 2i7s n TYR 72 Ca -0.23 0.88 -0.20 0.00 -0.16 0.00 0.00 57.90 58.19 2i7s n TYR 72 Cb 0.68 -4.04 -0.16 0.00 -0.31 0.00 0.00 39.34 35.52 2i7s n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2i7s s LEU 73 N -7.23 1.68 0.12 7.72 1.43 -0.74 -4.24 118.68 117.41 2i7s s LEU 73 Ca 0.64 -0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 53.26 2i7s s LEU 73 Cb -0.32 -0.51 -0.08 0.00 0.03 0.00 0.00 46.19 45.31 2i7s s LEU 73 CO 0.79 0.03 1.46 -0.75 0.23 0.00 0.00 176.35 178.11 2i7s s LYS 74 N 0.39 4.28 0.55 1.70 2.20 -1.26 -4.86 119.74 122.74 2i7s s LYS 74 Ca -0.06 2.17 -0.21 0.00 -0.36 0.00 0.00 55.97 57.51 2i7s s LYS 74 Cb -0.10 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2i7s s LYS 74 CO 0.01 -0.52 1.32 -2.14 -0.36 0.00 0.00 175.35 173.66 2i7s s PRO 75 N 1.31 3.11 -1.45 4.03 0.02 -1.26 -3.24 135.00 137.52 2i7s s PRO 75 Ca 0.67 2.15 -0.08 0.00 0.02 0.00 0.00 61.00 63.75 2i7s s PRO 75 Cb -0.39 -2.20 0.05 0.00 0.02 0.00 0.00 34.50 31.99 2i7s s PRO 75 CO 0.30 -1.19 0.84 -0.25 -0.33 0.00 0.00 177.00 176.38 2i7s n ASP 76 N -1.13 -3.14 -4.53 2.53 10.43 -1.26 -4.91 116.55 114.54 2i7s n ASP 76 Ca 0.11 -0.82 -0.43 0.00 2.57 0.00 0.00 54.79 56.23 2i7s n ASP 76 Cb 0.46 -3.86 -0.04 0.00 1.84 0.00 0.00 41.12 39.52 2i7s n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2i7s s ASP 77 N -3.77 6.33 0.57 -2.24 -1.08 -1.20 -4.92 116.67 110.35 2i7s s ASP 77 Ca 0.38 -0.35 0.38 0.00 -0.52 0.00 0.00 52.55 52.44 2i7s s ASP 77 Cb -0.19 -2.47 1.97 0.00 -1.46 0.00 0.00 42.92 40.78 2i7s s ASP 77 CO 0.83 -1.35 2.15 0.77 0.52 0.00 0.00 175.17 178.09 2i7s h SER 78 N 9.44 0.00 1.33 -0.34 4.64 -1.93 -1.97 113.55 124.72 2i7s h SER 78 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2i7s h SER 78 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2i7s h SER 78 CO 1.13 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 177.12 2i7s h ARG 79 N 0.00 0.00 -5.42 4.77 3.08 -1.98 -3.44 114.38 111.40 2i7s h ARG 79 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 2i7s h ARG 79 Cb 0.09 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.00 2i7s h ARG 79 CO 0.00 0.00 0.09 0.08 -1.07 0.00 0.00 179.97 179.07 2i7s s VAL 80 N -3.27 4.92 0.12 2.04 1.01 -0.74 -4.48 120.40 120.00 2i7s s VAL 80 Ca 0.07 0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 2i7s s VAL 80 Cb 0.09 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 32.27 2i7s s VAL 80 CO 0.55 -0.28 1.32 0.40 0.00 0.00 0.00 175.10 177.08 2i7s h ILE 81 N 5.65 1.31 -2.15 2.22 2.04 -1.17 -3.47 117.51 121.94 2i7s h ILE 81 Ca -0.27 -2.08 -0.07 0.00 1.00 0.00 0.00 64.86 63.45 2i7s h ILE 81 Cb 1.11 2.09 -0.19 0.00 -0.74 0.00 0.00 36.82 39.09 2i7s h ILE 81 CO 0.82 0.65 0.12 0.00 0.00 0.00 0.00 178.15 179.74 2i7s s ALA 82 N -3.63 -1.63 -0.09 1.87 0.00 -1.22 -4.98 121.76 112.08 2i7s s ALA 82 Ca -0.09 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 2i7s s ALA 82 Cb 0.09 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.23 2i7s s ALA 82 CO 0.89 -0.35 0.40 1.14 0.00 0.00 0.00 175.76 177.84 2i7s s GLN 83 N -1.17 0.62 0.56 0.00 -2.07 -1.26 -1.17 119.66 115.17 2i7s s GLN 83 Ca -0.11 0.24 -0.02 0.00 -1.82 0.00 0.00 55.36 53.65 2i7s s GLN 83 Cb -0.01 0.29 0.02 0.00 -1.09 0.00 0.00 33.01 32.23 2i7s s GLN 83 CO 0.09 -0.14 0.82 0.95 -1.32 0.00 0.00 175.29 175.69 2i7s s THR 84 N -0.56 3.12 0.98 3.63 -4.23 -0.52 -4.81 115.64 113.25 2i7s s THR 84 Ca -0.07 -0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 59.90 2i7s s THR 84 Cb -0.04 -3.21 0.18 0.00 1.34 0.00 0.00 72.50 70.77 2i7s s THR 84 CO 0.03 -0.17 1.11 -1.59 -0.54 0.00 0.00 174.62 173.46 2i7s s LYS 85 N -4.84 0.60 -0.12 3.99 -2.85 -1.26 -4.59 119.74 110.66 2i7s s LYS 85 Ca 0.55 0.42 -0.26 0.00 -1.00 0.00 0.00 55.97 55.67 2i7s s LYS 85 Cb -0.10 -1.76 -0.02 0.00 -2.06 0.00 0.00 37.83 33.88 2i7s s LYS 85 CO 0.41 -2.60 0.86 -1.17 0.10 0.00 0.00 175.35 172.95 2i7s s LEU 86 N -6.34 4.24 0.20 2.77 2.96 -1.26 -4.41 118.68 116.83 2i7s s LEU 86 Ca 0.65 1.30 0.11 0.00 -0.22 0.00 0.00 54.13 55.97 2i7s s LEU 86 Cb -0.17 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 2i7s s LEU 86 CO 0.56 -0.34 -0.22 0.27 -1.32 0.00 0.00 176.35 175.30 2i7s s ILE 87 N 1.76 2.23 0.10 6.68 -4.36 0.48 -4.87 121.20 123.21 2i7s s ILE 87 Ca 0.42 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.76 2i7s s ILE 87 Cb -0.18 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.46 2i7s s ILE 87 CO 0.16 -0.21 0.04 0.61 0.24 0.00 0.00 174.94 175.79 2i7s n GLY 88 N 0.16 3.46 3.70 6.27 0.00 -1.26 -1.22 105.19 116.30 2i7s n GLY 88 Ca -0.12 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 2i7s n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i7s n SER 89 N -1.58 2.92 0.00 1.61 3.41 -0.58 -1.98 113.62 117.42 2i7s n SER 89 Ca -0.02 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 2i7s n SER 89 Cb 0.12 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.58 2i7s n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i7s n GLY 90 N 1.02 2.33 4.00 5.00 0.00 -0.51 -4.97 105.19 112.06 2i7s n GLY 90 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2i7s n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i7s s GLU 91 N -0.15 2.86 0.06 1.61 2.02 -0.84 -4.97 118.70 119.29 2i7s s GLU 91 Ca 0.00 -1.17 -0.07 0.00 0.02 0.00 0.00 54.97 53.75 2i7s s GLU 91 Cb 0.00 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 2i7s s GLU 91 CO 0.00 -0.24 0.13 0.15 0.02 0.00 0.00 175.26 175.32 2i7s s LYS 92 N -4.35 0.70 -0.07 1.61 1.02 -1.26 -2.73 119.74 114.66 2i7s s LYS 92 Ca 0.54 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 2i7s s LYS 92 Cb -0.10 0.28 0.07 0.00 -0.52 0.00 0.00 37.83 37.56 2i7s s LYS 92 CO 0.33 -0.19 0.67 0.34 -0.92 0.00 0.00 175.35 175.58 2i7s s ASP 93 N -2.46 -0.66 0.21 2.83 2.15 -0.66 -5.03 116.67 113.07 2i7s s ASP 93 Ca -0.00 0.78 0.11 0.00 0.43 0.00 0.00 52.55 53.87 2i7s s ASP 93 Cb 0.02 0.63 -0.05 0.00 -0.30 0.00 0.00 42.92 43.23 2i7s s ASP 93 CO -0.07 -0.57 -0.21 -0.44 -0.17 0.00 0.00 175.17 173.71 2i7s s SER 94 N -1.02 3.31 -0.04 -0.34 0.01 -1.26 -0.45 113.70 113.91 2i7s s SER 94 Ca -0.10 -0.92 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 2i7s s SER 94 Cb -0.01 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.99 2i7s s SER 94 CO 0.09 0.06 0.10 0.54 0.41 0.00 0.00 173.24 174.43 2i7s s VAL 95 N -2.02 -0.00 -0.06 3.43 0.11 -0.34 -4.86 120.40 116.65 2i7s s VAL 95 Ca 0.22 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.33 2i7s s VAL 95 Cb -0.06 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 2i7s s VAL 95 CO 0.11 0.00 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.80 2i7s s THR 96 N 0.11 2.63 0.08 5.04 2.01 -1.26 -0.84 115.64 123.41 2i7s s THR 96 Ca -0.00 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.14 2i7s s THR 96 Cb -0.01 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 2i7s s THR 96 CO -0.00 0.57 -0.04 0.72 -0.69 0.00 0.00 174.62 175.18 2i7s s PHE 97 N -0.36 0.75 -0.06 4.92 -0.71 -0.55 -4.96 117.98 117.01 2i7s s PHE 97 Ca 0.03 -1.00 -0.30 0.00 -1.04 0.00 0.00 56.93 54.62 2i7s s PHE 97 Cb -0.12 -0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 41.19 2i7s s PHE 97 CO 0.02 -0.27 1.08 -0.51 -1.34 0.00 0.00 175.22 174.21 2i7s s ASP 98 N -3.00 7.18 0.57 1.98 1.01 -1.26 -0.98 116.67 122.18 2i7s s ASP 98 Ca 0.11 1.68 0.31 0.00 0.71 0.00 0.00 52.55 55.36 2i7s s ASP 98 Cb 0.07 -2.56 1.75 0.00 1.01 0.00 0.00 42.92 43.19 2i7s s ASP 98 CO -0.06 -0.47 2.19 0.58 0.21 0.00 0.00 175.17 177.62 2i7s h VAL 99 N 4.98 0.44 0.00 -1.27 2.07 -1.38 -0.86 116.25 120.24 2i7s h VAL 99 Ca -0.34 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2i7s h VAL 99 Cb 1.17 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2i7s h VAL 99 CO 0.85 0.05 0.00 0.77 0.02 0.00 0.00 177.57 179.25 2i7s h SER 100 N 0.00 0.00 0.85 0.57 4.64 -1.89 -1.60 113.55 116.11 2i7s h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2i7s h SER 100 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2i7s h SER 100 CO 0.01 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.08 2i7s h LYS 101 N 0.00 0.00 -5.53 4.77 1.79 -1.54 -3.41 116.57 112.65 2i7s h LYS 101 Ca 0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 2i7s h LYS 101 Cb 0.10 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.62 2i7s h LYS 101 CO 0.00 0.00 0.18 -0.51 -1.08 0.00 0.00 179.45 178.04 2i7s s LEU 102 N -4.76 4.29 0.43 2.94 1.43 -0.60 -5.05 118.68 117.36 2i7s s LEU 102 Ca 0.04 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2i7s s LEU 102 Cb 0.09 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2i7s s LEU 102 CO 0.43 -0.68 0.62 -0.54 0.23 0.00 0.00 176.35 176.42 2i7s s LYS 103 N 2.83 3.00 -0.04 1.70 -0.14 -1.26 -5.05 119.74 120.78 2i7s s LYS 103 Ca 0.25 -0.72 -0.30 0.00 -1.36 0.00 0.00 55.97 53.85 2i7s s LYS 103 Cb -0.14 -2.64 -0.05 0.00 -1.68 0.00 0.00 37.83 33.32 2i7s s LYS 103 CO 0.17 -0.23 1.46 -2.00 -0.76 0.00 0.00 175.35 173.99 2i7s s GLU 104 N -4.46 4.24 0.00 1.68 2.12 -1.26 -3.55 118.70 117.47 2i7s s GLU 104 Ca 0.49 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.82 2i7s s GLU 104 Cb -0.10 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.57 2i7s s GLU 104 CO 0.36 -0.68 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 2i7s n GLY 105 N 3.80 0.55 3.48 -1.50 0.00 -1.26 -5.06 105.19 105.20 2i7s n GLY 105 Ca 0.15 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2i7s n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i7s s GLU 106 N -1.44 1.84 -0.07 1.61 0.41 -1.23 -5.14 118.70 114.68 2i7s s GLU 106 Ca 0.00 -1.14 0.02 0.00 -0.41 0.00 0.00 54.97 53.44 2i7s s GLU 106 Cb 0.00 -2.13 -0.03 0.00 -1.78 0.00 0.00 34.13 30.19 2i7s s GLU 106 CO 0.00 0.49 -0.12 -0.65 -0.49 0.00 0.00 175.26 174.49 2i7s s GLN 107 N -2.01 2.70 0.09 1.61 -1.52 -1.26 -4.91 119.66 114.36 2i7s s GLN 107 Ca 0.17 -0.66 0.09 0.00 -1.95 0.00 0.00 55.36 53.01 2i7s s GLN 107 Cb -0.11 -2.47 -0.04 0.00 -0.22 0.00 0.00 33.01 30.18 2i7s s GLN 107 CO 0.09 0.57 -0.20 0.71 -0.25 0.00 0.00 175.29 176.22 2i7s s TYR 108 N -0.58 2.50 0.09 0.91 2.02 -1.25 -1.00 117.35 120.04 2i7s s TYR 108 Ca 0.08 -0.28 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 2i7s s TYR 108 Cb -0.11 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 2i7s s TYR 108 CO 0.01 0.32 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.50 2i7s s MET 109 N -1.85 0.99 0.18 -0.62 -1.94 0.05 -2.04 119.30 114.07 2i7s s MET 109 Ca 0.16 -1.06 0.09 0.00 -1.71 0.00 0.00 55.69 53.17 2i7s s MET 109 Cb -0.10 -1.14 -0.04 0.00 2.01 0.00 0.00 34.83 35.55 2i7s s MET 109 CO 0.08 0.26 -0.13 -0.59 -0.01 0.00 0.00 175.02 174.63 2i7s s PHE 110 N -1.20 2.56 -0.04 -0.03 -0.12 -0.38 -1.93 117.98 116.85 2i7s s PHE 110 Ca 0.03 -0.25 -0.30 0.00 -0.05 0.00 0.00 56.93 56.36 2i7s s PHE 110 Cb -0.10 -1.26 0.11 0.00 -0.63 0.00 0.00 43.02 41.14 2i7s s PHE 110 CO 0.03 0.51 0.99 -0.59 -0.05 0.00 0.00 175.22 176.12 2i7s s PHE 111 N -1.70 -0.26 -0.10 3.49 -0.71 -0.56 -0.23 117.98 117.92 2i7s s PHE 111 Ca 0.24 0.13 -0.13 0.00 -1.04 0.00 0.00 56.93 56.12 2i7s s PHE 111 Cb -0.09 0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 42.22 2i7s s PHE 111 CO 0.14 -0.48 0.32 0.00 -1.34 0.00 0.00 175.22 173.86 2i7s n THR 113 N 2.80 0.97 -1.96 0.00 -2.24 -1.26 -3.24 114.28 109.34 2i7s n THR 113 Ca -0.13 -0.98 -0.41 0.00 -2.27 0.00 0.00 64.05 60.26 2i7s n THR 113 Cb 0.52 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 2i7s n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2i7s s PHE 114 N -1.03 2.80 -0.11 4.78 2.19 -1.26 -4.44 117.98 120.91 2i7s s PHE 114 Ca 0.49 1.30 -0.37 0.00 0.33 0.00 0.00 56.93 58.68 2i7s s PHE 114 Cb 0.25 -3.84 -0.14 0.00 -1.31 0.00 0.00 43.02 37.98 2i7s s PHE 114 CO 0.33 -2.41 1.70 -2.30 1.83 0.00 0.00 175.22 174.37 2i7s n PRO 115 N 0.53 1.59 0.00 10.12 -0.02 -1.26 -1.12 135.00 144.84 2i7s n PRO 115 Ca 0.01 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2i7s n PRO 115 Cb 0.41 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2i7s n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i7s n GLY 116 N 3.90 3.18 0.21 -1.23 0.00 -1.26 -4.92 105.19 105.07 2i7s n GLY 116 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 2i7s n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2i7s h HIS 117 N 0.00 0.36 0.00 1.61 3.86 -1.38 -2.70 115.15 116.89 2i7s h HIS 117 Ca 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2i7s h HIS 117 Cb 0.00 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2i7s h HIS 117 CO 0.00 0.62 0.00 -1.13 0.86 0.00 0.00 177.93 178.28 2i7s n SER 118 N -4.08 0.22 0.00 2.45 3.41 -1.20 -0.41 113.62 114.02 2i7s n SER 118 Ca -0.01 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 2i7s n SER 118 Cb 0.44 -0.62 0.48 0.00 -0.26 0.00 0.00 64.21 64.25 2i7s n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i7s h ALA 119 N 2.11 1.86 0.00 7.33 0.00 -1.83 -3.26 119.26 125.47 2i7s h ALA 119 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2i7s h ALA 119 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2i7s h ALA 119 CO 0.00 0.08 -1.39 1.28 0.00 0.00 0.00 179.25 179.22 2i7s n LEU 120 N -4.48 0.68 -4.20 0.00 4.77 -0.66 -4.88 117.00 108.23 2i7s n LEU 120 Ca 0.05 -0.01 -0.44 0.00 -0.03 0.00 0.00 56.01 55.58 2i7s n LEU 120 Cb 0.18 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2i7s n LEU 120 CO 0.35 0.25 1.32 0.23 -1.33 0.00 0.00 177.39 178.20 2i7s n MET 121 N -2.32 3.70 -3.56 3.23 2.81 0.46 -4.72 117.12 116.72 2i7s n MET 121 Ca -0.10 -4.08 -0.14 0.00 -1.81 0.00 0.00 57.70 51.57 2i7s n MET 121 Cb 0.67 -2.78 -0.05 0.00 -0.71 0.00 0.00 33.22 30.35 2i7s n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2i7s s LYS 122 N -0.34 1.06 0.21 0.03 -2.85 -1.26 -1.90 119.74 114.68 2i7s s LYS 122 Ca 0.37 -0.23 -0.21 0.00 -1.00 0.00 0.00 55.97 54.89 2i7s s LYS 122 Cb -0.00 0.48 0.07 0.00 -2.06 0.00 0.00 37.83 36.32 2i7s s LYS 122 CO 0.00 -0.39 1.01 0.20 0.10 0.00 0.00 175.35 176.28 2i7s s GLY 123 N -2.01 0.14 -0.08 0.59 0.00 0.69 -4.80 107.32 101.86 2i7s s GLY 123 Ca -0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 44.72 44.26 2i7s s GLY 123 CO -0.02 2.12 0.06 0.30 0.00 0.00 0.00 173.10 175.56 2i7s s HIS 124 N -2.20 3.33 -0.13 1.90 3.76 -0.88 -1.25 115.29 119.83 2i7s s HIS 124 Ca 0.21 0.30 0.02 0.00 -0.15 0.00 0.00 55.06 55.44 2i7s s HIS 124 Cb -0.03 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.84 2i7s s HIS 124 CO 0.06 0.57 -0.21 -1.17 -0.85 0.00 0.00 174.74 173.14 2i7s s LEU 125 N -1.14 2.21 -0.01 0.89 0.20 -0.87 -0.80 118.68 119.16 2i7s s LEU 125 Ca 0.16 -0.55 0.04 0.00 0.69 0.00 0.00 54.13 54.47 2i7s s LEU 125 Cb -0.12 -1.47 -0.01 0.00 -0.43 0.00 0.00 46.19 44.17 2i7s s LEU 125 CO 0.06 0.11 -0.13 0.42 -0.29 0.00 0.00 176.35 176.52 2i7s s THR 126 N 0.65 1.00 -0.28 3.68 -4.23 -0.58 -3.76 115.64 112.12 2i7s s THR 126 Ca -0.10 -0.54 -0.28 0.00 -1.18 0.00 0.00 61.69 59.59 2i7s s THR 126 Cb -0.16 -0.84 0.01 0.00 1.34 0.00 0.00 72.50 72.85 2i7s s THR 126 CO 0.02 0.29 1.01 -0.22 -0.54 0.00 0.00 174.62 175.17 2i7s s LEU 127 N -0.27 4.02 0.00 4.79 0.20 -1.26 0.06 118.68 126.22 2i7s s LEU 127 Ca 0.04 1.11 0.00 0.00 0.69 0.00 0.00 54.13 55.98 2i7s s LEU 127 Cb -0.05 -3.46 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 2i7s s LEU 127 CO -0.00 -0.75 0.00 2.29 -0.29 0.00 0.00 176.35 177.60