#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ecs s ASP 3 N 0.00 6.76 -0.15 8.00 -0.00 -1.26 -5.04 116.67 124.98 1ecs s ASP 3 Ca 0.00 2.63 -0.14 0.00 -0.00 0.00 0.00 52.55 55.04 1ecs s ASP 3 Cb 0.00 -2.63 0.04 0.00 -0.00 0.00 0.00 42.92 40.33 1ecs s ASP 3 CO 0.00 -0.58 0.40 0.00 -0.00 0.00 0.00 175.17 174.99 1ecs s GLN 4 N -1.04 0.48 -0.16 8.23 -2.07 -1.26 -5.13 119.66 118.71 1ecs s GLN 4 Ca 0.54 0.54 -0.09 0.00 -1.82 0.00 0.00 55.36 54.53 1ecs s GLN 4 Cb -0.40 0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 31.71 1ecs s GLN 4 CO 0.47 -0.06 0.15 0.00 -1.32 0.00 0.00 175.29 174.53 1ecs s ALA 5 N 0.17 3.76 0.09 2.60 0.00 -1.26 -5.10 121.76 122.02 1ecs s ALA 5 Ca -0.00 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.39 1ecs s ALA 5 Cb -0.03 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 1ecs s ALA 5 CO 0.01 0.35 -0.21 0.95 0.00 0.00 0.00 175.76 176.85 1ecs s THR 6 N -0.22 1.74 0.67 0.00 -4.23 -1.26 -5.06 115.64 107.28 1ecs s THR 6 Ca 0.12 -1.48 -0.16 0.00 -1.18 0.00 0.00 61.69 58.99 1ecs s THR 6 Cb -0.12 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.16 1ecs s THR 6 CO 0.01 0.01 1.15 -2.84 -0.54 0.00 0.00 174.62 172.41 1ecs s PRO 7 N -1.75 2.65 -0.23 3.99 0.02 -1.26 -4.94 135.00 133.48 1ecs s PRO 7 Ca 0.07 1.55 0.02 0.00 0.02 0.00 0.00 61.00 62.66 1ecs s PRO 7 Cb -0.10 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.55 1ecs s PRO 7 CO 0.04 -1.40 -0.11 -0.80 -0.33 0.00 0.00 177.00 174.40 1ecs s ASN 8 N -2.27 3.90 0.20 2.53 0.02 -1.26 -2.52 114.94 115.53 1ecs s ASN 8 Ca 0.70 -1.12 0.11 0.00 -1.02 0.00 0.00 52.86 51.53 1ecs s ASN 8 Cb -0.24 -1.41 -0.04 0.00 0.02 0.00 0.00 41.25 39.58 1ecs s ASN 8 CO 0.41 -0.16 -0.21 -0.76 0.02 0.00 0.00 177.10 176.41 1ecs s LEU 9 N 1.24 2.56 0.41 0.60 1.43 0.51 -4.94 118.68 120.51 1ecs s LEU 9 Ca -0.04 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.10 1ecs s LEU 9 Cb -0.18 -1.27 -0.08 0.00 0.03 0.00 0.00 46.19 44.69 1ecs s LEU 9 CO -0.07 0.11 0.83 -2.16 0.23 0.00 0.00 176.35 175.29 1ecs s PRO 10 N -2.76 3.91 -0.04 1.29 0.04 -1.26 -1.00 135.00 135.18 1ecs s PRO 10 Ca 0.22 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 1ecs s PRO 10 Cb -0.08 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1ecs s PRO 10 CO 0.11 -0.05 0.08 0.45 0.04 0.00 0.00 177.00 177.64 1ecs s SER 11 N -2.84 0.14 0.43 6.66 0.15 -0.66 -4.82 113.70 112.77 1ecs s SER 11 Ca 0.55 0.16 0.26 0.00 0.70 0.00 0.00 55.95 57.61 1ecs s SER 11 Cb -0.10 0.04 0.62 0.00 -1.71 0.00 0.00 66.02 64.87 1ecs s SER 11 CO 0.26 -0.16 1.71 0.03 1.20 0.00 0.00 173.24 176.29 1ecs h ARG 12 N 7.45 0.00 -1.39 5.44 3.08 -1.88 -1.12 114.38 125.96 1ecs h ARG 12 Ca -0.40 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 1ecs h ARG 12 Cb 1.13 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.93 1ecs h ARG 12 CO 0.41 0.00 -0.36 0.34 -1.07 0.00 0.00 179.97 179.29 1ecs s ASP 13 N -5.87 -0.68 0.42 7.04 -1.08 -1.26 -4.69 116.67 110.54 1ecs s ASP 13 Ca 0.06 0.59 0.09 0.00 -0.52 0.00 0.00 52.55 52.77 1ecs s ASP 13 Cb 0.07 1.71 0.90 0.00 -1.46 0.00 0.00 42.92 44.14 1ecs s ASP 13 CO 0.63 -0.28 2.05 -0.26 0.52 0.00 0.00 175.17 177.83 1ecs h PHE 14 N 8.08 0.40 -0.52 -5.34 0.05 -1.98 -1.40 116.94 116.23 1ecs h PHE 14 Ca -0.21 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.55 1ecs h PHE 14 Cb 1.16 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 38.95 1ecs h PHE 14 CO 0.11 0.29 0.22 -0.44 -0.18 0.00 0.00 178.31 178.31 1ecs h ASP 15 N 0.42 0.70 -0.46 2.17 3.32 -1.99 0.29 116.42 120.88 1ecs h ASP 15 Ca 0.11 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 1ecs h ASP 15 Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1ecs h ASP 15 CO -0.02 0.67 -0.22 0.28 -1.72 0.00 0.00 179.24 178.23 1ecs h SER 16 N 0.69 0.99 0.23 6.45 0.02 -1.78 -1.20 113.55 118.95 1ecs h SER 16 Ca 0.17 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1ecs h SER 16 Cb 0.18 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1ecs h SER 16 CO -0.02 1.18 -0.11 0.74 -1.14 0.00 0.00 176.83 177.48 1ecs h THR 17 N 0.81 0.78 -0.99 -2.27 2.02 -1.13 -1.61 112.91 110.52 1ecs h THR 17 Ca 0.10 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.27 1ecs h THR 17 Cb 0.80 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 1ecs h THR 17 CO 0.07 0.01 0.65 0.00 0.37 0.00 0.00 175.52 176.62 1ecs h ALA 18 N 0.45 1.30 -0.49 6.16 0.00 -0.32 -1.74 119.26 124.60 1ecs h ALA 18 Ca -0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1ecs h ALA 18 Cb 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ecs h ALA 18 CO 0.05 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.88 1ecs h ALA 19 N 1.39 1.06 0.31 0.00 0.00 -1.09 0.15 119.26 121.09 1ecs h ALA 19 Ca 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ecs h ALA 19 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ecs h ALA 19 CO -0.11 0.59 -0.15 0.35 0.00 0.00 0.00 179.25 179.93 1ecs h PHE 20 N 0.77 -0.39 0.00 0.00 3.57 -0.90 -3.19 116.94 116.80 1ecs h PHE 20 Ca 0.15 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1ecs h PHE 20 Cb 0.47 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1ecs h PHE 20 CO 0.03 -0.08 -0.27 1.88 -2.23 0.00 0.00 178.31 177.63 1ecs h TYR 21 N -0.69 0.00 -0.83 0.41 -1.99 -1.24 -2.75 116.97 109.88 1ecs h TYR 21 Ca -0.04 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.70 1ecs h TYR 21 Cb 0.48 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.17 1ecs h TYR 21 CO 0.01 0.27 0.55 1.49 -0.00 0.00 0.00 178.16 180.48 1ecs h GLU 22 N 0.00 1.07 0.00 4.88 4.81 -0.98 0.79 114.58 125.15 1ecs h GLU 22 Ca -0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1ecs h GLU 22 Cb 0.70 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1ecs h GLU 22 CO 0.04 0.71 -0.00 0.00 -0.73 0.00 0.00 179.01 179.02 1ecs h ARG 23 N 1.10 0.00 -0.70 1.92 3.08 -1.48 -1.29 114.38 117.01 1ecs h ARG 23 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1ecs h ARG 23 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1ecs h ARG 23 CO -0.07 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.11 1ecs n LEU 24 N -3.12 4.36 0.00 3.04 4.77 0.20 -4.92 117.00 121.33 1ecs n LEU 24 Ca -0.03 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 1ecs n LEU 24 Cb 0.09 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1ecs n LEU 24 CO 0.21 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1ecs n GLY 25 N 1.42 0.86 3.82 -0.72 0.00 -0.49 -5.07 105.19 105.01 1ecs n GLY 25 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1ecs n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ecs s PHE 26 N -2.06 3.75 0.27 1.61 0.40 -0.76 -4.54 117.98 116.65 1ecs s PHE 26 Ca 0.00 1.17 0.09 0.00 -0.60 0.00 0.00 56.93 57.59 1ecs s PHE 26 Cb 0.00 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1ecs s PHE 26 CO 0.00 0.57 0.05 0.20 0.70 0.00 0.00 175.22 176.74 1ecs s GLY 27 N -1.23 1.64 -0.00 4.36 0.00 0.12 -3.97 107.32 108.25 1ecs s GLY 27 Ca 0.30 -1.63 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 1ecs s GLY 27 CO 0.18 -1.67 0.98 -0.42 0.00 0.00 0.00 173.10 172.16 1ecs s ILE 28 N -2.30 4.87 -0.14 0.90 1.01 -1.26 -1.12 121.20 123.16 1ecs s ILE 28 Ca 0.33 2.05 0.12 0.00 0.00 0.00 0.00 60.65 63.15 1ecs s ILE 28 Cb -0.06 -4.32 -0.17 0.00 0.01 0.00 0.00 42.46 37.92 1ecs s ILE 28 CO 0.21 0.16 0.04 0.52 0.00 0.00 0.00 174.94 175.88 1ecs n VAL 29 N 3.89 0.97 -3.64 2.92 0.31 -0.39 -4.95 118.33 117.45 1ecs n VAL 29 Ca 0.06 -0.59 -0.14 0.00 -0.01 0.00 0.00 64.34 63.66 1ecs n VAL 29 Cb 0.51 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.73 1ecs n VAL 29 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1ecs s PHE 30 N -2.34 -0.77 -0.17 3.52 5.36 -1.17 -4.97 117.98 117.44 1ecs s PHE 30 Ca -0.07 1.87 -0.10 0.00 -0.96 0.00 0.00 56.93 57.67 1ecs s PHE 30 Cb 0.04 0.27 0.06 0.00 -0.34 0.00 0.00 43.02 43.05 1ecs s PHE 30 CO 0.57 -0.37 0.42 0.50 -1.46 0.00 0.00 175.22 174.88 1ecs s ARG 31 N 0.41 0.41 0.00 10.12 3.52 -1.26 -0.09 118.95 132.05 1ecs s ARG 31 Ca -0.00 0.79 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 1ecs s ARG 31 Cb -0.05 -0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 1ecs s ARG 31 CO 0.00 -0.15 0.00 -0.40 -0.81 0.00 0.00 175.30 173.94 1ecs n ASP 32 N 4.17 0.52 0.25 -2.12 5.68 -0.24 -5.01 116.55 119.80 1ecs n ASP 32 Ca -0.23 -0.31 0.11 0.00 -0.50 0.00 0.00 54.79 53.86 1ecs n ASP 32 Cb 0.55 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.18 1ecs n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ecs h ALA 33 N 1.00 1.30 0.00 2.12 0.00 -2.03 -3.30 119.26 118.36 1ecs h ALA 33 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ecs h ALA 33 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ecs h ALA 33 CO 0.00 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1ecs n GLY 34 N -0.62 -0.02 2.99 0.00 0.00 -1.26 -4.85 105.19 101.43 1ecs n GLY 34 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1ecs n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ecs s TRP 35 N -0.42 0.02 -0.06 1.61 -0.11 -1.24 -1.93 118.94 116.81 1ecs s TRP 35 Ca 0.00 -0.04 -0.06 0.00 1.22 0.00 0.00 56.10 57.22 1ecs s TRP 35 Cb 0.00 -0.04 0.02 0.00 -1.50 0.00 0.00 33.47 31.95 1ecs s TRP 35 CO 0.00 -0.13 0.17 1.41 -4.62 0.00 0.00 176.95 173.78 1ecs s MET 36 N -0.61 0.21 -0.12 5.86 -2.45 -0.10 -1.08 119.30 121.01 1ecs s MET 36 Ca -0.07 0.20 0.03 0.00 -1.25 0.00 0.00 55.69 54.60 1ecs s MET 36 Cb -0.04 0.10 0.01 0.00 1.25 0.00 0.00 34.83 36.15 1ecs s MET 36 CO 0.00 -0.03 -0.21 0.42 1.05 0.00 0.00 175.02 176.25 1ecs s ILE 37 N 0.01 1.92 0.08 10.11 1.01 0.87 -0.55 121.20 134.66 1ecs s ILE 37 Ca -0.01 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.80 1ecs s ILE 37 Cb -0.01 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1ecs s ILE 37 CO 0.00 0.53 -0.12 -0.76 0.00 0.00 0.00 174.94 174.59 1ecs s LEU 38 N 0.65 2.93 0.00 2.97 1.43 0.00 -1.26 118.68 125.41 1ecs s LEU 38 Ca -0.12 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1ecs s LEU 38 Cb -0.16 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 1ecs s LEU 38 CO 0.03 0.20 -0.03 -1.58 0.23 0.00 0.00 176.35 175.20 1ecs s GLN 39 N -1.98 0.24 -0.29 1.70 0.74 -0.27 -1.14 119.66 118.65 1ecs s GLN 39 Ca 0.19 -0.19 -0.03 0.00 0.05 0.00 0.00 55.36 55.38 1ecs s GLN 39 Cb -0.11 -0.18 0.11 0.00 1.10 0.00 0.00 33.01 33.93 1ecs s GLN 39 CO 0.11 0.05 0.16 0.50 -0.55 0.00 0.00 175.29 175.55 1ecs s ARG 40 N -0.31 0.22 5.17 1.67 3.52 -0.46 0.15 118.95 128.91 1ecs s ARG 40 Ca -0.01 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 1ecs s ARG 40 Cb -0.03 -1.10 0.00 0.00 -1.56 0.00 0.00 34.95 32.27 1ecs s ARG 40 CO -0.00 -1.03 0.00 0.41 -0.81 0.00 0.00 175.30 173.87 1ecs n GLY 41 N 5.21 3.50 0.56 8.12 0.00 -1.26 -0.94 105.19 120.38 1ecs n GLY 41 Ca -0.05 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1ecs n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ecs n ASP 42 N 6.74 1.73 -4.70 1.61 8.00 -1.26 -4.82 116.55 123.85 1ecs n ASP 42 Ca 0.00 -1.61 -0.40 0.00 0.71 0.00 0.00 54.79 53.49 1ecs n ASP 42 Cb 0.00 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 1ecs n ASP 42 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ecs s LEU 43 N -1.87 4.27 -0.11 0.64 1.43 -0.12 -5.04 118.68 117.88 1ecs s LEU 43 Ca 0.36 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1ecs s LEU 43 Cb 0.20 -3.15 0.02 0.00 0.03 0.00 0.00 46.19 43.29 1ecs s LEU 43 CO 0.31 -0.22 -0.13 -0.32 0.23 0.00 0.00 176.35 176.22 1ecs s MET 44 N 1.27 2.02 -0.06 1.70 1.75 -1.26 -1.36 119.30 123.37 1ecs s MET 44 Ca 0.38 -0.48 0.05 0.00 -1.25 0.00 0.00 55.69 54.40 1ecs s MET 44 Cb -0.18 -1.80 -0.01 0.00 2.84 0.00 0.00 34.83 35.68 1ecs s MET 44 CO 0.17 -0.13 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.68 1ecs s LEU 45 N 1.19 2.01 -0.03 4.11 1.43 -0.29 -4.48 118.68 122.62 1ecs s LEU 45 Ca -0.03 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1ecs s LEU 45 Cb -0.14 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1ecs s LEU 45 CO -0.04 0.20 -0.12 -1.61 0.23 0.00 0.00 176.35 175.01 1ecs s GLU 46 N 0.00 2.52 0.01 1.70 2.02 -1.05 -0.82 118.70 123.09 1ecs s GLU 46 Ca -0.06 -0.70 0.07 0.00 0.02 0.00 0.00 54.97 54.30 1ecs s GLU 46 Cb -0.14 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 1ecs s GLU 46 CO 0.04 0.62 -0.22 -0.06 0.02 0.00 0.00 175.26 175.66 1ecs s PHE 47 N -0.82 1.97 0.15 1.61 0.40 0.29 -0.36 117.98 121.22 1ecs s PHE 47 Ca 0.13 -0.38 0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1ecs s PHE 47 Cb -0.11 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 1ecs s PHE 47 CO 0.03 0.04 -0.20 -0.59 0.70 0.00 0.00 175.22 175.19 1ecs s PHE 48 N -0.66 2.45 0.07 0.36 -0.12 -0.17 -0.92 117.98 118.98 1ecs s PHE 48 Ca 0.09 -0.30 -0.31 0.00 -0.05 0.00 0.00 56.93 56.35 1ecs s PHE 48 Cb -0.09 -1.27 -0.06 0.00 -0.63 0.00 0.00 43.02 40.97 1ecs s PHE 48 CO 0.01 0.42 1.29 0.00 -0.05 0.00 0.00 175.22 176.88 1ecs s ALA 49 N -1.32 3.49 -0.40 1.99 0.00 -0.81 -1.65 121.76 123.05 1ecs s ALA 49 Ca 0.19 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.15 1ecs s ALA 49 Cb -0.10 -3.50 0.24 0.00 0.00 0.00 0.00 23.12 19.76 1ecs s ALA 49 CO 0.10 -0.57 0.53 1.58 0.00 0.00 0.00 175.76 177.40 1ecs n HIS 50 N 4.18 -0.76 0.30 0.00 -0.00 -0.42 -4.86 115.22 113.65 1ecs n HIS 50 Ca 0.10 -3.34 0.18 0.00 -0.00 0.00 0.00 57.72 54.67 1ecs n HIS 50 Cb 0.45 -0.08 0.87 0.00 -0.00 0.00 0.00 29.99 31.23 1ecs n HIS 50 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ecs h PRO 51 N 4.21 0.00 -0.31 1.57 0.13 -1.84 -2.25 132.00 133.51 1ecs h PRO 51 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1ecs h PRO 51 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1ecs h PRO 51 CO 0.43 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 1ecs n GLY 52 N -0.70 0.74 3.77 1.56 0.00 -1.26 -4.94 105.19 104.36 1ecs n GLY 52 Ca -0.01 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 1ecs n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ecs s LEU 53 N -1.28 4.35 -0.41 0.99 2.96 -0.85 -5.00 118.68 119.46 1ecs s LEU 53 Ca 0.31 2.67 -0.13 0.00 -0.22 0.00 0.00 54.13 56.76 1ecs s LEU 53 Cb 0.16 -3.74 0.03 0.00 0.50 0.00 0.00 46.19 43.15 1ecs s LEU 53 CO 0.23 -0.64 0.27 -0.62 -1.32 0.00 0.00 176.35 174.28 1ecs s ASP 54 N -0.58 5.94 0.63 3.68 3.68 -1.26 -4.97 116.67 123.79 1ecs s ASP 54 Ca 0.52 -1.04 0.40 0.00 2.13 0.00 0.00 52.55 54.56 1ecs s ASP 54 Cb -0.39 -2.10 2.16 0.00 -1.45 0.00 0.00 42.92 41.14 1ecs s ASP 54 CO 0.51 -0.46 2.30 -0.65 0.13 0.00 0.00 175.17 177.00 1ecs h PRO 55 N 8.56 0.00 0.00 4.34 0.11 -1.95 -1.77 132.00 141.29 1ecs h PRO 55 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1ecs h PRO 55 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ecs h PRO 55 CO 0.73 0.01 -0.40 1.28 -0.21 0.00 0.00 178.00 179.40 1ecs n LEU 56 N -3.26 0.42 -1.17 2.35 4.77 -1.26 -3.83 117.00 115.02 1ecs n LEU 56 Ca -0.03 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 1ecs n LEU 56 Cb 0.11 -0.30 0.14 0.00 -2.33 0.00 0.00 43.42 41.04 1ecs n LEU 56 CO 0.23 0.08 0.33 0.00 -1.33 0.00 0.00 177.39 176.69 1ecs n ALA 57 N -1.53 4.23 -2.30 -1.18 0.00 -0.67 -5.06 120.51 114.00 1ecs n ALA 57 Ca 0.06 -3.48 -0.39 0.00 0.00 0.00 0.00 53.44 49.63 1ecs n ALA 57 Cb 0.35 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 1ecs n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ecs s SER 58 N -3.32 7.07 0.00 0.00 0.15 -1.22 -4.94 113.70 111.44 1ecs s SER 58 Ca 0.43 1.27 0.20 0.00 0.70 0.00 0.00 55.95 58.55 1ecs s SER 58 Cb 0.39 -2.37 0.57 0.00 -1.71 0.00 0.00 66.02 62.89 1ecs s SER 58 CO -0.03 0.23 1.47 0.79 1.20 0.00 0.00 173.24 176.91 1ecs n TRP 59 N 1.93 0.84 -2.83 3.44 7.02 -1.26 -5.01 117.44 121.57 1ecs n TRP 59 Ca -0.09 -0.48 -0.40 0.00 -1.02 0.00 0.00 57.50 55.51 1ecs n TRP 59 Cb 0.51 -0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 29.34 1ecs n TRP 59 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1ecs s PHE 60 N -1.04 3.82 0.26 -5.99 0.40 -1.26 -5.02 117.98 109.14 1ecs s PHE 60 Ca 0.43 1.70 -0.19 0.00 -0.60 0.00 0.00 56.93 58.27 1ecs s PHE 60 Cb 0.23 -2.95 0.02 0.00 0.51 0.00 0.00 43.02 40.83 1ecs s PHE 60 CO 0.30 0.29 0.64 -1.54 0.70 0.00 0.00 175.22 175.61 1ecs s SER 61 N -0.28 -0.25 0.26 1.36 1.04 -1.26 -1.85 113.70 112.72 1ecs s SER 61 Ca 0.43 -0.62 -0.13 0.00 0.48 0.00 0.00 55.95 56.11 1ecs s SER 61 Cb -0.23 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1ecs s SER 61 CO 0.28 -1.25 0.52 0.00 0.98 0.00 0.00 173.24 173.77 1ecs s LEU 64 N -1.05 4.55 -0.47 0.00 1.43 0.11 -4.90 118.68 118.34 1ecs s LEU 64 Ca 0.15 -1.27 -0.16 0.00 -1.03 0.00 0.00 54.13 51.81 1ecs s LEU 64 Cb -0.11 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.28 1ecs s LEU 64 CO 0.04 -0.38 0.45 -0.13 0.23 0.00 0.00 176.35 176.56 1ecs s ARG 65 N 1.39 3.02 -0.11 1.70 0.52 -1.26 -0.30 118.95 123.90 1ecs s ARG 65 Ca -0.00 -1.17 -0.00 0.00 -0.52 0.00 0.00 55.73 54.03 1ecs s ARG 65 Cb -0.20 -4.10 -0.02 0.00 0.52 0.00 0.00 34.95 31.14 1ecs s ARG 65 CO 0.02 -1.05 -0.09 -0.51 0.02 0.00 0.00 175.30 173.69 1ecs s LEU 66 N 1.93 2.97 0.35 2.53 1.43 -0.08 -4.84 118.68 122.97 1ecs s LEU 66 Ca 0.07 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1ecs s LEU 66 Cb -0.22 -1.67 0.64 0.00 0.03 0.00 0.00 46.19 44.97 1ecs s LEU 66 CO 0.09 0.23 1.95 0.44 0.23 0.00 0.00 176.35 179.29 1ecs h ASP 67 N 6.21 0.59 -2.82 2.29 3.32 -1.91 0.28 116.42 124.38 1ecs h ASP 67 Ca -0.35 -0.06 -0.59 0.00 0.02 0.00 0.00 57.03 56.05 1ecs h ASP 67 Cb 1.19 -0.15 -0.39 0.00 0.22 0.00 0.00 39.33 40.20 1ecs h ASP 67 CO 0.56 0.53 -0.83 -0.62 -1.72 0.00 0.00 179.24 177.16 1ecs s ASP 68 N -6.63 2.96 0.16 6.45 3.68 -1.26 -4.70 116.67 117.33 1ecs s ASP 68 Ca -0.09 -2.51 -0.13 0.00 2.13 0.00 0.00 52.55 51.95 1ecs s ASP 68 Cb 0.16 -0.62 0.06 0.00 -1.45 0.00 0.00 42.92 41.07 1ecs s ASP 68 CO 0.76 -0.27 1.73 0.25 0.13 0.00 0.00 175.17 177.77 1ecs h LEU 69 N 6.65 0.74 -0.38 -1.34 5.85 -1.88 -2.88 115.31 122.07 1ecs h LEU 69 Ca 0.08 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1ecs h LEU 69 Cb 0.94 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1ecs h LEU 69 CO 0.36 0.69 -0.10 0.00 -0.34 0.00 0.00 178.44 179.05 1ecs h ALA 70 N 1.08 0.25 -0.34 1.25 0.00 -1.96 0.25 119.26 119.79 1ecs h ALA 70 Ca 0.18 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1ecs h ALA 70 Cb 0.17 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ecs h ALA 70 CO -0.02 -0.46 0.15 1.49 0.00 0.00 0.00 179.25 180.42 1ecs h GLU 71 N -0.00 0.31 -0.40 0.00 4.81 -1.98 -0.16 114.58 117.15 1ecs h GLU 71 Ca 0.18 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1ecs h GLU 71 Cb 0.28 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1ecs h GLU 71 CO -0.40 0.20 0.17 0.35 -0.73 0.00 0.00 179.01 178.61 1ecs h PHE 72 N 0.32 0.60 -0.67 0.92 3.57 -1.06 -0.78 116.94 119.84 1ecs h PHE 72 Ca 0.15 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1ecs h PHE 72 Cb 0.08 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1ecs h PHE 72 CO -0.11 0.52 0.37 -0.92 -2.23 0.00 0.00 178.31 175.94 1ecs h TYR 73 N 0.51 0.89 -0.50 0.41 3.20 -0.31 -1.28 116.97 119.89 1ecs h TYR 73 Ca 0.14 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1ecs h TYR 73 Cb 0.17 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1ecs h TYR 73 CO -0.00 0.62 0.09 -0.09 -1.64 0.00 0.00 178.16 177.13 1ecs h ARG 74 N 0.93 0.78 -0.23 1.82 2.43 -0.57 -2.78 114.38 116.75 1ecs h ARG 74 Ca 0.24 -0.17 -0.18 0.00 -0.81 0.00 0.00 59.98 59.06 1ecs h ARG 74 Cb 0.01 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1ecs h ARG 74 CO -0.04 0.73 -0.58 0.37 -1.51 0.00 0.00 179.97 178.94 1ecs h GLN 75 N 0.75 0.72 -0.41 0.20 4.15 -0.04 -2.23 115.11 118.24 1ecs h GLN 75 Ca 0.16 -0.47 0.03 0.00 0.77 0.00 0.00 58.65 59.14 1ecs h GLN 75 Cb 0.32 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1ecs h GLN 75 CO 0.00 1.10 0.20 0.00 -1.93 0.00 0.00 178.83 178.20 1ecs h LYS 77 N 0.40 0.90 0.00 0.00 1.57 -1.50 -2.39 116.57 115.55 1ecs h LYS 77 Ca 0.18 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ecs h LYS 77 Cb 0.09 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ecs h LYS 77 CO -0.13 0.86 0.00 0.66 -0.57 0.00 0.00 179.45 180.27 1ecs h SER 78 N 0.79 0.00 -0.67 0.86 4.64 -1.22 -0.01 113.55 117.94 1ecs h SER 78 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ecs h SER 78 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ecs h SER 78 CO 0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 1ecs n VAL 79 N -2.66 0.92 -0.82 0.95 0.24 -0.99 -4.95 118.33 111.03 1ecs n VAL 79 Ca 0.00 -0.96 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 1ecs n VAL 79 Cb 0.21 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1ecs n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ecs n GLY 80 N 1.57 0.69 3.71 7.63 0.00 -0.02 -5.04 105.19 113.74 1ecs n GLY 80 Ca 0.23 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1ecs n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ecs s ILE 81 N -2.00 4.57 0.36 -0.61 1.01 -0.92 -4.97 121.20 118.64 1ecs s ILE 81 Ca 0.00 1.84 -0.26 0.00 0.00 0.00 0.00 60.65 62.23 1ecs s ILE 81 Cb 0.00 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 1ecs s ILE 81 CO 0.00 0.14 1.08 -1.10 0.00 0.00 0.00 174.94 175.06 1ecs s GLN 82 N 1.06 4.29 -0.67 2.79 -1.52 -1.26 -4.63 119.66 119.70 1ecs s GLN 82 Ca 0.54 1.66 -0.17 0.00 -1.95 0.00 0.00 55.36 55.44 1ecs s GLN 82 Cb -0.24 -2.76 0.14 0.00 -0.22 0.00 0.00 33.01 29.92 1ecs s GLN 82 CO 0.28 -0.06 0.73 -2.00 -0.25 0.00 0.00 175.29 173.99 1ecs s GLU 83 N -2.14 3.22 0.32 2.91 2.12 -1.26 -0.61 118.70 123.26 1ecs s GLU 83 Ca 0.54 -1.68 0.03 0.00 0.36 0.00 0.00 54.97 54.22 1ecs s GLU 83 Cb -0.27 -4.39 -0.02 0.00 0.26 0.00 0.00 34.13 29.72 1ecs s GLU 83 CO 0.34 -1.48 0.33 0.95 -0.54 0.00 0.00 175.26 174.85 1ecs s THR 84 N 1.98 0.00 -1.13 -1.70 -4.23 -1.23 -4.98 115.64 104.35 1ecs s THR 84 Ca 0.14 -1.87 0.16 0.00 -1.18 0.00 0.00 61.69 58.95 1ecs s THR 84 Cb -0.20 -2.54 -0.09 0.00 1.34 0.00 0.00 72.50 71.01 1ecs s THR 84 CO 0.01 0.00 0.77 -1.54 -0.54 0.00 0.00 174.62 173.32 1ecs n SER 85 N -1.36 1.20 -3.77 3.99 3.41 -1.26 -4.71 113.62 111.11 1ecs n SER 85 Ca 0.05 -1.10 -0.12 0.00 -0.26 0.00 0.00 58.87 57.44 1ecs n SER 85 Cb 0.62 0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 65.25 1ecs n SER 85 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ecs s SER 86 N -2.24 0.40 0.00 4.04 1.04 -1.26 -5.13 113.70 110.55 1ecs s SER 86 Ca 0.10 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1ecs s SER 86 Cb 0.13 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1ecs s SER 86 CO 0.54 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1ecs n GLY 87 N -0.42 -1.24 3.15 7.32 0.00 -1.26 -4.97 105.19 107.76 1ecs n GLY 87 Ca 0.01 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 1ecs n GLY 87 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ecs s TYR 88 N -2.12 -0.01 0.78 1.61 1.13 -1.26 -4.40 117.35 113.07 1ecs s TYR 88 Ca 0.00 -0.05 -0.11 0.00 -1.41 0.00 0.00 57.07 55.50 1ecs s TYR 88 Cb 0.00 -0.01 0.06 0.00 -1.10 0.00 0.00 41.96 40.91 1ecs s TYR 88 CO 0.00 -0.33 1.09 -1.25 -2.51 0.00 0.00 175.55 172.55 1ecs s PRO 89 N -1.51 2.25 0.25 -3.49 0.04 -1.26 -4.94 135.00 126.34 1ecs s PRO 89 Ca -0.13 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 61.43 1ecs s PRO 89 Cb -0.06 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1ecs s PRO 89 CO 0.02 -1.52 0.60 -0.98 0.04 0.00 0.00 177.00 175.16 1ecs s ARG 90 N -5.14 1.61 0.09 4.56 1.70 -0.42 -4.49 118.95 116.87 1ecs s ARG 90 Ca 0.60 -1.03 0.07 0.00 -0.47 0.00 0.00 55.73 54.90 1ecs s ARG 90 Cb -0.14 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 1ecs s ARG 90 CO 0.54 -0.71 -0.18 0.96 -1.08 0.00 0.00 175.30 174.84 1ecs s ILE 91 N -3.94 1.45 -0.17 4.99 -4.36 0.22 0.06 121.20 119.45 1ecs s ILE 91 Ca 0.14 -1.43 -0.00 0.00 -0.26 0.00 0.00 60.65 59.10 1ecs s ILE 91 Cb -0.03 -1.34 0.00 0.00 1.25 0.00 0.00 42.46 42.34 1ecs s ILE 91 CO 0.05 -0.12 -0.15 -1.00 0.24 0.00 0.00 174.94 173.96 1ecs s HIS 92 N -1.20 2.81 0.68 1.37 3.76 0.06 -3.50 115.29 119.27 1ecs s HIS 92 Ca 0.03 -1.23 -0.16 0.00 -0.15 0.00 0.00 55.06 53.56 1ecs s HIS 92 Cb -0.10 -1.94 0.01 0.00 1.11 0.00 0.00 32.58 31.67 1ecs s HIS 92 CO 0.03 -0.60 1.17 0.00 -0.85 0.00 0.00 174.74 174.50 1ecs s ALA 93 N 1.09 2.30 0.25 -1.40 0.00 -1.26 -1.40 121.76 121.35 1ecs s ALA 93 Ca -0.00 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 1ecs s ALA 93 Cb -0.14 -3.42 -0.13 0.00 0.00 0.00 0.00 23.12 19.43 1ecs s ALA 93 CO -0.05 -1.55 1.45 -2.30 0.00 0.00 0.00 175.76 173.31 1ecs n PRO 94 N -2.42 2.18 -3.84 0.00 -0.02 -1.25 -4.51 135.00 125.14 1ecs n PRO 94 Ca 0.12 0.78 -0.25 0.00 -2.02 0.00 0.00 63.50 62.13 1ecs n PRO 94 Cb 0.51 -2.46 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 1ecs n PRO 94 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1ecs s GLU 95 N -0.40 1.08 -0.02 -0.52 -1.05 0.50 -4.87 118.70 113.41 1ecs s GLU 95 Ca 0.67 -0.09 -0.32 0.00 -0.15 0.00 0.00 54.97 55.08 1ecs s GLU 95 Cb -0.62 -1.31 -0.10 0.00 -0.44 0.00 0.00 34.13 31.66 1ecs s GLU 95 CO 0.49 -0.29 1.92 -0.11 0.95 0.00 0.00 175.26 178.22 1ecs n LEU 96 N 5.04 3.81 -5.01 1.83 0.00 -1.26 -1.96 117.00 119.45 1ecs n LEU 96 Ca -0.10 0.94 -0.21 0.00 0.00 0.00 0.00 56.01 56.64 1ecs n LEU 96 Cb 0.50 -1.45 0.08 0.00 0.00 0.00 0.00 43.42 42.55 1ecs n LEU 96 CO 0.14 0.07 0.43 -1.10 0.00 0.00 0.00 177.39 176.93 1ecs s GLN 97 N 4.14 2.06 -0.09 1.96 -1.52 0.21 -4.96 119.66 121.46 1ecs s GLN 97 Ca 0.90 -1.28 -0.06 0.00 -1.95 0.00 0.00 55.36 52.97 1ecs s GLN 97 Cb -0.56 -2.49 -0.24 0.00 -0.22 0.00 0.00 33.01 29.50 1ecs s GLN 97 CO 0.46 -1.09 3.54 0.41 -0.25 0.00 0.00 175.29 178.37 1ecs n GLY 98 N -2.51 3.15 0.00 3.09 0.00 -1.26 -2.92 105.19 104.73 1ecs n GLY 98 Ca 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1ecs n GLY 98 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1ecs n TRP 99 N 2.42 0.00 0.00 1.61 4.27 -1.26 -5.00 117.44 119.48 1ecs n TRP 99 Ca 0.45 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.06 1ecs n TRP 99 Cb 0.87 0.04 0.00 0.00 -1.36 0.00 0.00 31.31 30.85 1ecs n TRP 99 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ecs n GLY 100 N 0.00 3.14 3.93 -1.67 0.00 -1.15 -5.04 105.19 104.40 1ecs n GLY 100 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ecs n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ecs s GLY 101 N -2.66 1.72 0.08 -0.02 0.00 -1.26 -4.77 107.32 100.40 1ecs s GLY 101 Ca 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 44.72 43.72 1ecs s GLY 101 CO 0.00 -0.43 -0.18 -1.59 0.00 0.00 0.00 173.10 170.90 1ecs s THR 102 N -3.69 2.85 -0.02 0.90 2.01 -1.26 -0.62 115.64 115.81 1ecs s THR 102 Ca 0.69 -1.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1ecs s THR 102 Cb -0.06 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1ecs s THR 102 CO 0.50 0.22 0.09 -0.32 -0.69 0.00 0.00 174.62 174.42 1ecs s MET 103 N -1.80 0.23 0.39 4.92 0.00 -0.83 -2.06 119.30 120.16 1ecs s MET 103 Ca 0.16 -0.11 0.03 0.00 0.00 0.00 0.00 55.69 55.78 1ecs s MET 103 Cb -0.11 0.10 -0.04 0.00 0.00 0.00 0.00 34.83 34.79 1ecs s MET 103 CO 0.08 -0.04 0.10 0.00 0.00 0.00 0.00 175.02 175.15 1ecs s ALA 104 N -0.53 2.84 -0.01 4.11 0.00 -0.05 0.19 121.76 128.31 1ecs s ALA 104 Ca -0.06 -1.43 -0.00 0.00 0.00 0.00 0.00 51.96 50.47 1ecs s ALA 104 Cb -0.04 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.76 1ecs s ALA 104 CO 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 175.76 175.47 1ecs s ALA 105 N -3.21 0.02 -0.11 0.00 0.00 -0.49 -0.64 121.76 117.33 1ecs s ALA 105 Ca 0.26 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1ecs s ALA 105 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1ecs s ALA 105 CO 0.14 -0.03 -0.21 -1.17 0.00 0.00 0.00 175.76 174.48 1ecs s LEU 106 N 0.33 2.24 -0.15 0.00 2.96 -0.24 -0.76 118.68 123.06 1ecs s LEU 106 Ca -0.03 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1ecs s LEU 106 Cb -0.04 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1ecs s LEU 106 CO -0.01 0.17 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.46 1ecs s VAL 107 N 0.32 3.95 0.61 1.68 1.01 0.11 -0.25 120.40 127.82 1ecs s VAL 107 Ca -0.16 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1ecs s VAL 107 Cb -0.17 -2.72 0.09 0.00 0.00 0.00 0.00 36.38 33.57 1ecs s VAL 107 CO 0.08 0.50 0.84 1.51 0.00 0.00 0.00 175.10 178.03 1ecs s ASP 108 N 0.22 4.91 0.00 3.32 -4.77 -0.73 -1.30 116.67 118.32 1ecs s ASP 108 Ca -0.02 -0.58 0.01 0.00 -3.30 0.00 0.00 52.55 48.66 1ecs s ASP 108 Cb -0.14 0.01 0.06 0.00 -1.09 0.00 0.00 42.92 41.76 1ecs s ASP 108 CO 0.03 -1.45 0.84 -2.65 0.70 0.00 0.00 175.17 172.64 1ecs n PRO 109 N -2.41 0.02 -0.18 2.11 -0.02 -1.26 -1.34 135.00 131.91 1ecs n PRO 109 Ca 0.14 0.28 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 1ecs n PRO 109 Cb 0.61 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.73 1ecs n PRO 109 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ecs n ASP 110 N -1.29 2.84 0.00 2.55 9.92 -1.26 -4.86 116.55 124.44 1ecs n ASP 110 Ca 0.01 -2.47 0.00 0.00 -0.53 0.00 0.00 54.79 51.79 1ecs n ASP 110 Cb 0.01 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 1ecs n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ecs n GLY 111 N -0.37 0.77 3.76 0.44 0.00 -0.45 -4.33 105.19 105.00 1ecs n GLY 111 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1ecs n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ecs s THR 112 N -2.85 3.43 -0.27 2.61 2.01 -1.26 -4.73 115.64 114.58 1ecs s THR 112 Ca 0.00 1.38 -0.13 0.00 0.31 0.00 0.00 61.69 63.25 1ecs s THR 112 Cb 0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1ecs s THR 112 CO 0.00 0.31 0.29 -0.22 -0.69 0.00 0.00 174.62 174.31 1ecs s LEU 113 N -1.23 4.04 -0.34 4.42 2.96 -0.77 -1.78 118.68 125.97 1ecs s LEU 113 Ca 0.47 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.44 1ecs s LEU 113 Cb -0.33 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.07 1ecs s LEU 113 CO 0.41 -0.12 0.20 -0.76 -1.32 0.00 0.00 176.35 174.77 1ecs s LEU 114 N 1.87 4.47 -0.08 -0.68 1.02 0.65 -1.63 118.68 124.30 1ecs s LEU 114 Ca 0.12 -0.68 -0.29 0.00 0.02 0.00 0.00 54.13 53.30 1ecs s LEU 114 Cb -0.16 -2.05 -0.02 0.00 0.02 0.00 0.00 46.19 43.98 1ecs s LEU 114 CO 0.10 -0.28 0.96 -0.13 0.02 0.00 0.00 176.35 177.02 1ecs s ARG 115 N 1.62 4.45 -0.28 1.70 0.52 -0.13 -1.08 118.95 125.75 1ecs s ARG 115 Ca 0.04 1.33 -0.10 0.00 -0.52 0.00 0.00 55.73 56.48 1ecs s ARG 115 Cb -0.18 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 1ecs s ARG 115 CO 0.08 -0.21 0.16 -0.51 0.02 0.00 0.00 175.30 174.83 1ecs s LEU 116 N 1.65 3.95 -0.02 2.53 1.43 0.18 0.06 118.68 128.47 1ecs s LEU 116 Ca 0.48 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 1ecs s LEU 116 Cb -0.19 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1ecs s LEU 116 CO 0.20 -0.09 -0.20 -0.63 0.23 0.00 0.00 176.35 175.86 1ecs s ILE 117 N 1.70 1.58 -0.16 -0.59 1.01 0.59 -0.87 121.20 124.46 1ecs s ILE 117 Ca 0.06 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 1ecs s ILE 117 Cb -0.16 -1.32 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 1ecs s ILE 117 CO 0.08 0.45 1.01 -1.58 0.00 0.00 0.00 174.94 174.90 1ecs s GLN 118 N -0.40 4.35 0.73 2.79 2.00 -0.87 -0.91 119.66 127.34 1ecs s GLN 118 Ca 0.06 1.36 -0.15 0.00 -2.00 0.00 0.00 55.36 54.63 1ecs s GLN 118 Cb -0.08 -3.58 0.04 0.00 0.80 0.00 0.00 33.01 30.18 1ecs s GLN 118 CO -0.00 -0.45 1.18 -0.80 -0.50 0.00 0.00 175.29 174.72 1ecs s ASN 119 N 1.14 4.34 -0.69 6.67 0.01 0.98 -4.69 114.94 122.70 1ecs s ASN 119 Ca 0.46 2.25 -0.26 0.00 -0.71 0.00 0.00 52.86 54.60 1ecs s ASN 119 Cb -0.17 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 38.95 1ecs s ASN 119 CO 0.13 -2.16 1.20 -1.61 -1.51 0.00 0.00 177.10 173.14 1ecs s GLU 120 N -4.02 3.24 0.00 -0.60 0.41 -1.26 -4.92 118.70 111.55 1ecs s GLU 120 Ca 0.72 -0.25 0.30 0.00 -0.41 0.00 0.00 54.97 55.33 1ecs s GLU 120 Cb -0.26 -4.15 1.52 0.00 -1.78 0.00 0.00 34.13 29.45 1ecs s GLU 120 CO 0.45 -1.98 2.01 1.28 -0.49 0.00 0.00 175.26 176.53