#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rud s TYR 9 N 0.00 3.47 0.25 1.61 1.51 -1.26 -5.01 117.35 117.91 1rud s TYR 9 Ca 0.00 1.56 0.12 0.00 -1.01 0.00 0.00 57.07 57.74 1rud s TYR 9 Cb 0.00 -3.38 -0.05 0.00 -0.11 0.00 0.00 41.96 38.42 1rud s TYR 9 CO 0.00 -0.94 -0.20 0.45 -1.11 0.00 0.00 175.55 173.75 1rud s SER 10 N -0.41 3.60 0.60 2.29 0.15 -1.26 -5.00 113.70 113.66 1rud s SER 10 Ca 0.48 -0.94 0.30 0.00 0.70 0.00 0.00 55.95 56.50 1rud s SER 10 Cb -0.33 -0.32 1.83 0.00 -1.71 0.00 0.00 66.02 65.49 1rud s SER 10 CO 0.40 0.07 2.22 0.44 1.20 0.00 0.00 173.24 177.58 1rud h ASP 11 N 2.61 0.00 -0.11 5.45 5.19 -1.94 -3.28 116.42 124.33 1rud h ASP 11 Ca -0.43 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.95 1rud h ASP 11 Cb 1.24 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.75 1rud h ASP 11 CO 0.56 0.00 -0.05 0.03 -3.12 0.00 0.00 179.24 176.66 1rud h ARG 12 N 0.00 0.23 -5.66 3.56 2.47 -1.92 -3.11 114.38 109.95 1rud h ARG 12 Ca 0.02 -0.10 -0.67 0.00 -1.26 0.00 0.00 59.98 57.97 1rud h ARG 12 Cb 0.13 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.37 1rud h ARG 12 CO -0.00 0.57 -0.49 0.08 0.56 0.00 0.00 179.97 180.69 1rud s VAL 13 N -4.59 5.45 0.07 2.04 1.01 -1.24 0.66 120.40 123.81 1rud s VAL 13 Ca -0.15 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1rud s VAL 13 Cb 0.05 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 33.09 1rud s VAL 13 CO 0.72 0.61 0.41 -1.10 0.00 0.00 0.00 175.10 175.74 1rud s GLN 14 N -1.04 0.97 -0.05 2.72 -0.21 0.22 -4.67 119.66 117.59 1rud s GLN 14 Ca 0.15 -0.47 0.01 0.00 0.02 0.00 0.00 55.36 55.07 1rud s GLN 14 Cb -0.12 0.43 0.02 0.00 1.00 0.00 0.00 33.01 34.34 1rud s GLN 14 CO 0.04 -0.35 -0.04 -1.14 -2.12 0.00 0.00 175.29 171.68 1rud s GLN 15 N -2.90 0.82 -0.21 2.91 0.74 -1.26 -1.12 119.66 118.64 1rud s GLN 15 Ca -0.03 -0.08 0.01 0.00 0.05 0.00 0.00 55.36 55.31 1rud s GLN 15 Cb 0.00 -0.88 0.03 0.00 1.10 0.00 0.00 33.01 33.26 1rud s GLN 15 CO -0.05 -0.12 -0.15 0.42 -0.55 0.00 0.00 175.29 174.84 1rud s ILE 16 N 1.08 2.26 -0.19 -2.34 1.01 -0.66 -4.99 121.20 117.37 1rud s ILE 16 Ca -0.09 -1.12 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 1rud s ILE 16 Cb -0.14 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1rud s ILE 16 CO -0.01 0.33 -0.03 -0.89 0.00 0.00 0.00 174.94 174.34 1rud s THR 17 N 1.25 3.69 -0.20 2.92 2.01 -1.26 -1.86 115.64 122.19 1rud s THR 17 Ca 0.01 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 1rud s THR 17 Cb -0.15 -2.65 0.10 0.00 0.01 0.00 0.00 72.50 69.81 1rud s THR 17 CO -0.09 0.45 0.26 -0.22 -0.69 0.00 0.00 174.62 174.33 1rud s LEU 18 N 0.90 -0.25 0.00 4.42 2.96 -0.14 -5.00 118.68 121.57 1rud s LEU 18 Ca -0.00 -0.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1rud s LEU 18 Cb -0.15 0.59 0.00 0.00 0.50 0.00 0.00 46.19 47.13 1rud s LEU 18 CO 0.01 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.35 1rud n GLY 19 N 5.33 2.62 0.52 7.98 0.00 -1.21 -2.58 105.19 117.86 1rud n GLY 19 Ca -0.05 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.72 1rud n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rud n ASN 20 N 9.13 3.01 -4.02 1.61 0.23 -1.26 -4.96 115.26 119.00 1rud n ASN 20 Ca 0.00 -2.56 -0.20 0.00 -0.53 0.00 0.00 54.58 51.30 1rud n ASN 20 Cb 0.00 -0.34 -0.15 0.00 -2.08 0.00 0.00 39.78 37.21 1rud n ASN 20 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1rud s SER 21 N -1.67 1.17 0.01 0.53 1.04 -1.06 -5.05 113.70 108.67 1rud s SER 21 Ca 0.28 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.57 1rud s SER 21 Cb 0.21 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1rud s SER 21 CO 0.08 0.09 -0.15 -0.89 0.98 0.00 0.00 173.24 173.36 1rud s THR 22 N -0.00 1.15 -0.08 2.02 2.01 -1.26 -0.97 115.64 118.50 1rud s THR 22 Ca 0.00 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.26 1rud s THR 22 Cb -0.06 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1rud s THR 22 CO 0.00 0.20 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.29 1rud s ILE 23 N -0.54 2.34 -0.05 1.82 1.01 -0.78 -4.99 121.20 120.01 1rud s ILE 23 Ca 0.04 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1rud s ILE 23 Cb -0.06 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1rud s ILE 23 CO 0.00 0.56 -0.22 0.42 0.00 0.00 0.00 174.94 175.71 1rud s THR 24 N 0.03 1.78 -0.04 2.92 -4.23 -1.26 -1.66 115.64 113.18 1rud s THR 24 Ca -0.08 -0.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 1rud s THR 24 Cb -0.15 -1.51 -0.00 0.00 1.34 0.00 0.00 72.50 72.17 1rud s THR 24 CO 0.05 0.50 -0.17 0.28 -0.54 0.00 0.00 174.62 174.75 1rud s THR 25 N -0.09 1.40 -1.63 3.99 -1.32 -0.28 -4.99 115.64 112.74 1rud s THR 25 Ca -0.03 -0.70 0.16 0.00 -1.21 0.00 0.00 61.69 59.90 1rud s THR 25 Cb -0.13 -1.21 0.36 0.00 -1.51 0.00 0.00 72.50 70.01 1rud s THR 25 CO 0.03 0.41 1.27 0.00 -2.21 0.00 0.00 174.62 174.12 1rud n GLN 26 N 3.13 2.34 -2.81 7.08 6.02 -1.26 -0.61 117.38 131.26 1rud n GLN 26 Ca -0.18 -2.07 -0.11 0.00 -0.01 0.00 0.00 57.00 54.64 1rud n GLN 26 Cb 0.53 -1.38 0.05 0.00 1.02 0.00 0.00 30.24 30.46 1rud n GLN 26 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1rud n GLU 27 N 1.01 1.09 -2.08 -1.09 1.02 -0.75 -4.42 120.64 115.41 1rud n GLU 27 Ca 0.15 -2.66 -0.27 0.00 -0.02 0.00 0.00 57.16 54.36 1rud n GLU 27 Cb 0.49 -1.00 0.08 0.00 -0.02 0.00 0.00 31.44 30.98 1rud n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rud s ALA 28 N -1.47 2.96 -0.43 0.62 0.00 0.21 -1.41 121.76 122.24 1rud s ALA 28 Ca 0.28 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.50 1rud s ALA 28 Cb 0.39 -2.74 0.25 0.00 0.00 0.00 0.00 23.12 21.01 1rud s ALA 28 CO -0.04 -1.45 0.55 0.00 0.00 0.00 0.00 175.76 174.83 1rud n ALA 29 N -3.08 2.70 -0.91 0.00 0.00 -1.26 -4.21 120.51 113.76 1rud n ALA 29 Ca 0.08 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1rud n ALA 29 Cb 0.61 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1rud n ALA 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rud n ASN 30 N 1.35 -2.05 -3.59 0.00 4.05 -1.17 -4.88 115.26 108.96 1rud n ASN 30 Ca 0.23 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 55.10 1rud n ASN 30 Cb 0.51 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.46 1rud n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rud s ALA 31 N -1.91 -1.41 -0.05 5.20 0.00 -1.26 -4.69 121.76 117.64 1rud s ALA 31 Ca 0.00 0.88 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1rud s ALA 31 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1rud s ALA 31 CO 0.00 -0.38 -0.01 0.08 0.00 0.00 0.00 175.76 175.45 1rud s VAL 32 N -1.57 4.17 -0.30 0.00 1.01 -0.73 -5.01 120.40 117.98 1rud s VAL 32 Ca -0.10 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1rud s VAL 32 Cb -0.01 -2.79 0.08 0.00 0.00 0.00 0.00 36.38 33.65 1rud s VAL 32 CO 0.05 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1rud s VAL 33 N -0.95 2.20 -0.27 2.92 1.01 -1.26 -0.31 120.40 123.73 1rud s VAL 33 Ca 0.16 -1.94 -0.44 0.00 0.00 0.00 0.00 61.98 59.76 1rud s VAL 33 Cb -0.11 -2.45 -0.20 0.00 0.00 0.00 0.00 36.38 33.62 1rud s VAL 33 CO 0.05 -0.29 1.40 0.00 0.00 0.00 0.00 175.10 176.26 1rud n TYR 35 N 3.08 -0.45 -2.38 0.00 4.01 -1.26 -1.65 117.16 118.51 1rud n TYR 35 Ca 0.26 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.81 1rud n TYR 35 Cb 0.01 -3.47 -0.01 0.00 -0.31 0.00 0.00 39.34 35.56 1rud n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rud n ALA 36 N -0.01 -0.64 -2.79 -0.72 0.00 0.13 -4.97 120.51 111.52 1rud n ALA 36 Ca -0.21 0.16 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 1rud n ALA 36 Cb 0.65 -2.06 -0.16 0.00 0.00 0.00 0.00 19.45 17.88 1rud n ALA 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rud s GLU 37 N -5.00 1.85 0.02 0.00 2.02 -0.66 -5.07 118.70 111.86 1rud s GLU 37 Ca 0.00 -0.67 -0.07 0.00 0.02 0.00 0.00 54.97 54.25 1rud s GLU 37 Cb 0.00 -1.63 -0.05 0.00 0.10 0.00 0.00 34.13 32.55 1rud s GLU 37 CO 0.00 0.30 0.29 -0.46 0.02 0.00 0.00 175.26 175.41 1rud s TRP 38 N -0.09 3.58 0.34 1.61 -0.11 -1.26 -4.17 118.94 118.84 1rud s TRP 38 Ca -0.01 0.62 -0.28 0.00 1.22 0.00 0.00 56.10 57.64 1rud s TRP 38 Cb -0.11 -2.03 -0.12 0.00 -1.50 0.00 0.00 33.47 29.71 1rud s TRP 38 CO 0.02 0.60 1.33 -0.35 -4.62 0.00 0.00 176.95 173.93 1rud n PRO 39 N 1.11 2.23 -4.04 5.86 -0.04 -1.26 -4.86 135.00 134.01 1rud n PRO 39 Ca -0.11 0.78 -0.08 0.00 -0.04 0.00 0.00 63.50 64.06 1rud n PRO 39 Cb 0.53 -2.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 1rud n PRO 39 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1rud s GLU 40 N -1.86 0.58 1.05 0.54 -1.05 -1.26 -4.95 118.70 111.76 1rud s GLU 40 Ca 0.55 -1.06 -0.15 0.00 -0.15 0.00 0.00 54.97 54.16 1rud s GLU 40 Cb -0.55 0.21 0.22 0.00 -0.44 0.00 0.00 34.13 33.56 1rud s GLU 40 CO 0.62 -0.12 1.14 0.71 0.95 0.00 0.00 175.26 178.56 1rud s TYR 41 N -3.42 1.51 -0.37 4.83 1.51 -1.26 -4.92 117.35 115.23 1rud s TYR 41 Ca 0.02 0.67 -0.26 0.00 -1.01 0.00 0.00 57.07 56.50 1rud s TYR 41 Cb 0.04 -3.48 0.01 0.00 -0.11 0.00 0.00 41.96 38.42 1rud s TYR 41 CO -0.08 -3.13 0.91 -1.17 -1.11 0.00 0.00 175.55 170.97 1rud s LEU 42 N -6.47 4.01 0.64 -1.29 2.96 -1.26 -5.02 118.68 112.25 1rud s LEU 42 Ca 0.68 0.56 -0.17 0.00 -0.22 0.00 0.00 54.13 54.98 1rud s LEU 42 Cb -0.12 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 1rud s LEU 42 CO 0.55 -0.84 1.17 -2.16 -1.32 0.00 0.00 176.35 173.75 1rud s PRO 43 N 3.43 2.77 0.30 0.98 0.04 -1.26 -4.90 135.00 136.35 1rud s PRO 43 Ca 0.37 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1rud s PRO 43 Cb -0.12 -1.92 0.47 0.00 0.04 0.00 0.00 34.50 32.96 1rud s PRO 43 CO 0.18 -1.32 1.85 -0.44 0.04 0.00 0.00 177.00 177.31 1rud h ASP 44 N 0.38 0.69 0.24 6.66 3.32 -1.96 -1.86 116.42 123.90 1rud h ASP 44 Ca -0.49 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.42 1rud h ASP 44 Cb 1.28 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1rud h ASP 44 CO 0.54 0.69 -0.10 1.62 -1.72 0.00 0.00 179.24 180.27 1rud h VAL 45 N 0.72 0.64 -0.00 -1.35 3.04 -2.03 -2.17 116.25 115.09 1rud h VAL 45 Ca 0.16 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1rud h VAL 45 Cb 0.28 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1rud h VAL 45 CO -0.00 0.09 -0.77 0.47 -1.01 0.00 0.00 177.57 176.35 1rud n ASP 46 N -3.79 0.90 -4.78 3.17 9.92 -0.73 -4.99 116.55 116.25 1rud n ASP 46 Ca -0.02 -0.78 -0.35 0.00 -0.53 0.00 0.00 54.79 53.11 1rud n ASP 46 Cb 0.20 0.68 0.00 0.00 -0.64 0.00 0.00 41.12 41.36 1rud n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rud s ALA 47 N -2.95 2.70 0.21 2.24 0.00 -0.82 -4.71 121.76 118.44 1rud s ALA 47 Ca 0.10 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1rud s ALA 47 Cb 0.17 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1rud s ALA 47 CO 0.78 -0.75 0.00 0.45 0.00 0.00 0.00 175.76 176.24 1rud n SER 48 N -1.36 0.35 -4.67 0.00 2.88 -1.26 -5.03 113.62 104.52 1rud n SER 48 Ca 0.11 0.35 -0.44 0.00 -1.33 0.00 0.00 58.87 57.56 1rud n SER 48 Cb 0.51 0.11 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 1rud n SER 48 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1rud n ASP 49 N -3.49 2.78 -0.23 -3.46 2.03 -1.26 -4.86 116.55 108.06 1rud n ASP 49 Ca 0.00 1.15 0.15 0.00 0.52 0.00 0.00 54.79 56.60 1rud n ASP 49 Cb 0.00 -1.44 0.67 0.00 -0.72 0.00 0.00 41.12 39.64 1rud n ASP 49 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1rud n VAL 50 N 1.80 0.00 -2.44 5.18 0.24 -1.26 -4.89 118.33 116.96 1rud n VAL 50 Ca 0.11 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.34 61.88 1rud n VAL 50 Cb 0.32 0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.69 1rud n VAL 50 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1rud s ASN 51 N -2.14 7.21 0.31 -1.34 0.01 -1.26 -4.99 114.94 112.74 1rud s ASN 51 Ca 0.38 2.28 -0.29 0.00 -0.71 0.00 0.00 52.86 54.53 1rud s ASN 51 Cb 0.21 -2.62 -0.10 0.00 0.41 0.00 0.00 41.25 39.14 1rud s ASN 51 CO 0.39 -0.21 1.40 -0.75 -1.51 0.00 0.00 177.10 176.42 1rud s LYS 52 N -1.24 4.27 0.56 -0.60 2.47 -1.26 -4.96 119.74 118.99 1rud s LYS 52 Ca 0.46 2.33 0.02 0.00 -1.56 0.00 0.00 55.97 57.22 1rud s LYS 52 Cb -0.32 -3.06 0.04 0.00 -1.46 0.00 0.00 37.83 33.03 1rud s LYS 52 CO 0.41 -0.36 0.79 0.95 0.16 0.00 0.00 175.35 177.30 1rud s THR 53 N -0.69 2.61 -0.10 3.43 -4.23 -1.26 -4.76 115.64 110.63 1rud s THR 53 Ca 0.54 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1rud s THR 53 Cb -0.42 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.46 1rud s THR 53 CO 0.51 0.00 -0.10 -0.55 -0.54 0.00 0.00 174.62 173.94 1rud s SER 54 N -4.46 4.32 -0.50 3.99 0.15 0.29 -4.92 113.70 112.57 1rud s SER 54 Ca 0.58 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 57.07 1rud s SER 54 Cb -0.10 -1.39 0.14 0.00 -1.71 0.00 0.00 66.02 62.97 1rud s SER 54 CO 0.39 0.25 0.30 -0.54 1.20 0.00 0.00 173.24 174.84 1rud s LYS 55 N -0.13 1.60 0.24 5.44 1.02 -1.26 -1.18 119.74 125.47 1rud s LYS 55 Ca 0.00 -2.39 0.17 0.00 0.02 0.00 0.00 55.97 53.77 1rud s LYS 55 Cb -0.13 -2.62 0.89 0.00 -0.52 0.00 0.00 37.83 35.45 1rud s LYS 55 CO 0.03 -1.20 1.51 -2.30 -0.92 0.00 0.00 175.35 172.47 1rud n PRO 56 N 3.08 0.11 0.00 -1.68 -0.02 -1.26 -4.87 135.00 130.36 1rud n PRO 56 Ca 0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1rud n PRO 56 Cb 0.36 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1rud n PRO 56 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1rud n ASP 57 N -2.08 0.00 0.17 2.55 2.03 -1.26 -2.96 116.55 115.00 1rud n ASP 57 Ca -0.01 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.42 1rud n ASP 57 Cb 0.03 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.04 1rud n ASP 57 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1rud h THR 58 N 0.00 0.00 0.00 5.18 1.35 -1.89 0.25 112.91 117.80 1rud h THR 58 Ca 0.00 -0.07 -0.05 0.00 -0.55 0.00 0.00 66.41 65.74 1rud h THR 58 Cb 0.00 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 1rud h THR 58 CO 0.00 0.00 -0.60 0.28 -0.25 0.00 0.00 175.52 174.95 1rud h SER 59 N 0.00 0.00 0.00 5.36 0.02 -1.95 -3.33 113.55 113.65 1rud h SER 59 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1rud h SER 59 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1rud h SER 59 CO 0.00 0.19 -1.53 1.33 -1.14 0.00 0.00 176.83 175.69 1rud n VAL 60 N -2.97 0.28 -2.55 2.27 0.24 -0.87 -4.51 118.33 110.21 1rud n VAL 60 Ca 0.00 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.34 61.59 1rud n VAL 60 Cb 0.63 -0.18 0.01 0.00 -1.47 0.00 0.00 33.84 32.83 1rud n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rud n ARG 62 N 1.01 0.63 -3.50 0.00 1.85 -1.26 -3.28 116.66 112.11 1rud n ARG 62 Ca 0.45 -3.02 -0.39 0.00 -1.00 0.00 0.00 57.85 53.89 1rud n ARG 62 Cb 0.28 1.63 -0.10 0.00 -1.05 0.00 0.00 32.46 33.22 1rud n ARG 62 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1rud s PHE 63 N -2.89 3.23 -0.23 2.89 0.08 -1.26 -3.82 117.98 115.98 1rud s PHE 63 Ca 0.18 0.15 -0.12 0.00 0.12 0.00 0.00 56.93 57.26 1rud s PHE 63 Cb 0.01 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.93 1rud s PHE 63 CO 0.13 -0.23 0.24 0.71 -0.10 0.00 0.00 175.22 175.96 1rud s TYR 64 N 1.88 3.32 -0.49 0.36 2.02 -0.17 -4.91 117.35 119.36 1rud s TYR 64 Ca 0.10 0.34 -0.19 0.00 -0.37 0.00 0.00 57.07 56.94 1rud s TYR 64 Cb -0.16 -2.37 0.05 0.00 -0.40 0.00 0.00 41.96 39.08 1rud s TYR 64 CO 0.11 0.01 0.61 0.99 -1.57 0.00 0.00 175.55 175.70 1rud s THR 65 N 1.24 4.88 0.87 -0.71 2.01 -1.26 -0.55 115.64 122.12 1rud s THR 65 Ca 0.11 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 1rud s THR 65 Cb -0.14 -4.26 0.08 0.00 0.01 0.00 0.00 72.50 68.19 1rud s THR 65 CO 0.06 -0.74 0.94 0.18 -0.69 0.00 0.00 174.62 174.37 1rud n LEU 66 N 6.15 2.64 -4.71 4.42 4.32 -0.73 -4.97 117.00 124.11 1rud n LEU 66 Ca -0.06 0.47 -0.39 0.00 -0.02 0.00 0.00 56.01 56.02 1rud n LEU 66 Cb 0.46 -1.40 0.04 0.00 -1.62 0.00 0.00 43.42 40.90 1rud n LEU 66 CO 0.53 -2.44 0.89 -0.67 -1.22 0.00 0.00 177.39 174.48 1rud n ASP 67 N -2.88 2.32 -4.79 -1.43 2.03 -1.26 -4.41 116.55 106.14 1rud n ASP 67 Ca 0.11 0.97 -0.36 0.00 0.52 0.00 0.00 54.79 56.04 1rud n ASP 67 Cb 0.52 -1.53 -0.04 0.00 -0.72 0.00 0.00 41.12 39.35 1rud n ASP 67 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1rud s SER 68 N -0.90 6.64 0.35 1.67 0.01 -1.26 -4.73 113.70 115.48 1rud s SER 68 Ca 0.70 2.02 0.07 0.00 1.31 0.00 0.00 55.95 60.05 1rud s SER 68 Cb -0.44 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.20 1rud s SER 68 CO 0.50 -0.58 0.42 -0.54 0.41 0.00 0.00 173.24 173.46 1rud s LYS 69 N -2.68 2.92 -0.21 12.44 3.01 -0.20 -4.91 119.74 130.11 1rud s LYS 69 Ca 0.60 -1.16 0.01 0.00 -1.01 0.00 0.00 55.97 54.41 1rud s LYS 69 Cb -0.21 -2.68 0.05 0.00 -1.01 0.00 0.00 37.83 33.98 1rud s LYS 69 CO 0.26 0.01 -0.09 0.99 0.51 0.00 0.00 175.35 177.03 1rud s THR 70 N -2.26 1.67 -0.14 2.17 2.01 -1.26 -0.30 115.64 117.53 1rud s THR 70 Ca 0.45 -1.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.08 1rud s THR 70 Cb -0.08 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1rud s THR 70 CO 0.30 0.08 0.76 0.86 -0.69 0.00 0.00 174.62 175.92 1rud s TRP 71 N 1.36 3.46 0.24 4.92 -0.00 0.16 -4.92 118.94 124.16 1rud s TRP 71 Ca -0.03 1.19 0.01 0.00 -0.00 0.00 0.00 56.10 57.27 1rud s TRP 71 Cb -0.17 -2.91 -0.05 0.00 -0.00 0.00 0.00 33.47 30.33 1rud s TRP 71 CO -0.07 -0.13 0.08 0.95 -0.00 0.00 0.00 176.95 177.78 1rud s THR 72 N 1.70 0.54 0.61 5.86 -4.23 -1.26 -1.30 115.64 117.55 1rud s THR 72 Ca 0.36 -2.00 0.44 0.00 -1.18 0.00 0.00 61.69 59.31 1rud s THR 72 Cb -0.17 -2.55 0.44 0.00 1.34 0.00 0.00 72.50 71.56 1rud s THR 72 CO 0.14 -0.07 2.33 0.00 -0.54 0.00 0.00 174.62 176.48 1rud h THR 73 N 2.44 0.00 -0.26 3.99 1.03 -1.85 0.22 112.91 118.48 1rud h THR 73 Ca -0.38 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.00 1rud h THR 73 Cb 1.24 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 1rud h THR 73 CO 0.61 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.73 1rud n GLY 74 N -1.03 1.11 3.77 2.99 0.00 -1.26 -4.85 105.19 105.92 1rud n GLY 74 Ca -0.03 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1rud n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rud s SER 75 N -1.60 6.28 -0.19 1.61 0.01 0.76 -4.95 113.70 115.62 1rud s SER 75 Ca 0.35 2.87 0.13 0.00 1.31 0.00 0.00 55.95 60.61 1rud s SER 75 Cb 0.21 -2.65 -0.21 0.00 0.21 0.00 0.00 66.02 63.58 1rud s SER 75 CO 0.30 -0.90 -0.00 0.29 0.41 0.00 0.00 173.24 173.34 1rud n LYS 76 N 0.26 0.92 0.00 12.44 4.76 -1.26 -4.83 118.16 130.45 1rud n LYS 76 Ca 0.02 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1rud n LYS 76 Cb 0.41 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 1rud n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rud n GLY 77 N 2.01 3.24 3.22 0.72 0.00 -1.26 -4.29 105.19 108.83 1rud n GLY 77 Ca -0.33 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 1rud n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1rud s TRP 78 N -2.00 1.18 -0.03 1.61 0.51 0.12 -1.91 118.94 118.42 1rud s TRP 78 Ca 0.00 -0.75 -0.01 0.00 -2.12 0.00 0.00 56.10 53.22 1rud s TRP 78 Cb 0.00 -0.62 0.03 0.00 -0.81 0.00 0.00 33.47 32.08 1rud s TRP 78 CO 0.00 0.04 0.05 0.00 -0.51 0.00 0.00 176.95 176.53 1rud s TRP 80 N 1.31 2.42 0.08 0.00 0.51 -0.48 0.44 118.94 123.22 1rud s TRP 80 Ca -0.06 -0.32 0.07 0.00 -2.12 0.00 0.00 56.10 53.66 1rud s TRP 80 Cb -0.13 -1.30 -0.04 0.00 -0.81 0.00 0.00 33.47 31.20 1rud s TRP 80 CO -0.03 0.37 -0.11 0.15 -0.51 0.00 0.00 176.95 176.81 1rud s LYS 81 N -2.11 2.17 -0.03 4.98 3.01 -1.26 -0.38 119.74 126.11 1rud s LYS 81 Ca 0.16 -0.98 0.07 0.00 -1.01 0.00 0.00 55.97 54.22 1rud s LYS 81 Cb -0.10 -2.31 -0.02 0.00 -1.01 0.00 0.00 37.83 34.39 1rud s LYS 81 CO 0.08 0.53 -0.24 -0.51 0.51 0.00 0.00 175.35 175.72 1rud s LEU 82 N -1.94 2.18 0.00 3.17 1.43 -0.22 -0.47 118.68 122.83 1rud s LEU 82 Ca 0.19 -0.42 0.14 0.00 -1.03 0.00 0.00 54.13 53.01 1rud s LEU 82 Cb -0.11 -1.38 0.86 0.00 0.03 0.00 0.00 46.19 45.59 1rud s LEU 82 CO 0.11 0.32 1.55 -0.81 0.23 0.00 0.00 176.35 177.75 1rud n PRO 83 N 2.48 1.00 0.02 1.29 -0.04 -1.26 -0.91 135.00 137.58 1rud n PRO 83 Ca -0.16 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.14 1rud n PRO 83 Cb 0.51 -1.23 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 1rud n PRO 83 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1rud h ASP 84 N 0.00 -1.69 -1.74 3.54 3.58 -1.82 -0.36 116.42 117.93 1rud h ASP 84 Ca 0.00 0.19 0.53 0.00 0.42 0.00 0.00 57.03 58.17 1rud h ASP 84 Cb 0.00 0.65 -0.10 0.00 1.72 0.00 0.00 39.33 41.61 1rud h ASP 84 CO 0.00 -0.51 1.22 0.00 -2.88 0.00 0.00 179.24 177.07 1rud h ALA 85 N -0.36 3.50 -0.45 -0.78 0.00 -0.97 0.34 119.26 120.54 1rud h ALA 85 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rud h ALA 85 Cb 0.71 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rud h ALA 85 CO -0.40 -2.09 0.00 1.28 0.00 0.00 0.00 179.25 178.05 1rud n LEU 86 N -4.20 3.55 0.28 0.00 4.77 -0.15 -3.92 117.00 117.33 1rud n LEU 86 Ca 0.42 -1.57 0.14 0.00 -0.03 0.00 0.00 56.01 54.97 1rud n LEU 86 Cb 1.82 -0.29 0.67 0.00 -2.33 0.00 0.00 43.42 43.29 1rud n LEU 86 CO 0.36 0.79 1.12 0.07 -1.33 0.00 0.00 177.39 178.40 1rud h LYS 87 N 4.45 0.00 -0.05 3.23 -0.00 -0.25 0.43 116.57 124.39 1rud h LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1rud h LYS 87 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.22 1rud h LYS 87 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 179.45 179.20 1rud n ASP 88 N -2.96 2.22 -4.55 7.07 8.00 -1.26 -4.45 116.55 120.61 1rud n ASP 88 Ca 0.00 -2.21 -0.42 0.00 0.71 0.00 0.00 54.79 52.87 1rud n ASP 88 Cb 0.54 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.46 1rud n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1rud s MET 89 N -1.36 3.53 1.71 -1.24 -1.94 0.14 -4.90 119.30 115.25 1rud s MET 89 Ca 0.09 -0.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 1rud s MET 89 Cb 0.07 -3.86 0.00 0.00 2.01 0.00 0.00 34.83 33.05 1rud s MET 89 CO 0.03 -0.82 0.00 0.41 -0.01 0.00 0.00 175.02 174.62 1rud n GLY 90 N 4.82 1.67 0.10 -0.03 0.00 -1.26 -1.51 105.19 108.97 1rud n GLY 90 Ca -0.02 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1rud n GLY 90 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rud n VAL 91 N 0.00 0.69 0.32 1.61 0.31 -1.26 -3.22 118.33 116.77 1rud n VAL 91 Ca 0.00 0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.18 1rud n VAL 91 Cb 0.00 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 31.97 1rud n VAL 91 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1rud h PHE 92 N 0.00 -0.73 -0.97 3.52 3.57 -1.62 -2.33 116.94 118.39 1rud h PHE 92 Ca 0.00 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1rud h PHE 92 Cb 0.50 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.41 1rud h PHE 92 CO 0.00 -0.43 0.61 0.78 -2.23 0.00 0.00 178.31 177.04 1rud h GLY 93 N -0.83 1.54 0.85 2.40 0.00 -1.24 -1.81 103.07 103.97 1rud h GLY 93 Ca -0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1rud h GLY 93 CO 0.13 0.21 0.04 1.46 0.00 0.00 0.00 176.54 178.38 1rud h GLN 94 N 1.01 0.18 -0.79 4.80 1.08 -1.50 -2.52 115.11 117.37 1rud h GLN 94 Ca 0.46 -0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.74 1rud h GLN 94 Cb 0.37 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.69 1rud h GLN 94 CO -0.23 0.31 0.41 -0.91 -0.95 0.00 0.00 178.83 177.46 1rud h ASN 95 N 0.02 0.53 -0.17 1.46 2.35 -1.05 -1.71 115.58 117.01 1rud h ASN 95 Ca 0.04 0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1rud h ASN 95 Cb 0.20 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1rud h ASN 95 CO -0.00 0.27 -0.05 -0.03 -1.65 0.00 0.00 177.43 175.97 1rud h MET 96 N 0.65 -0.01 0.00 0.81 4.05 -0.96 -0.34 114.93 119.12 1rud h MET 96 Ca 0.41 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.74 1rud h MET 96 Cb 0.48 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1rud h MET 96 CO -0.30 -0.01 -0.42 0.74 0.23 0.00 0.00 176.91 177.15 1rud h PHE 97 N -0.02 0.00 0.00 1.39 0.04 -0.99 -3.30 116.94 114.06 1rud h PHE 97 Ca 0.09 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.69 1rud h PHE 97 Cb 0.15 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1rud h PHE 97 CO -0.21 0.42 -1.32 0.74 -0.60 0.00 0.00 178.31 177.34 1rud h PHE 98 N 0.00 0.00 -2.96 -0.55 0.04 -1.11 0.37 116.94 112.73 1rud h PHE 98 Ca -0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.15 1rud h PHE 98 Cb 1.16 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.25 1rud h PHE 98 CO 0.00 0.60 -0.54 -1.01 -0.60 0.00 0.00 178.31 176.75 1rud s HIS 99 N -2.91 3.34 0.36 -0.55 3.76 -0.16 -2.53 115.29 116.60 1rud s HIS 99 Ca -0.02 0.14 0.04 0.00 -0.15 0.00 0.00 55.06 55.07 1rud s HIS 99 Cb 0.09 -1.67 0.67 0.00 1.11 0.00 0.00 32.58 32.77 1rud s HIS 99 CO 0.80 0.55 1.95 1.03 -0.85 0.00 0.00 174.74 178.22 1rud h SER 100 N 3.00 0.55 -5.09 1.40 0.87 0.46 -3.46 113.55 111.28 1rud h SER 100 Ca -0.46 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 59.90 1rud h SER 100 Cb 1.17 -0.14 -0.18 0.00 -0.44 0.00 0.00 62.40 62.81 1rud h SER 100 CO 0.70 0.51 -0.62 -0.76 -0.53 0.00 0.00 176.83 176.12 1rud s LEU 101 N -9.31 2.14 0.28 2.23 1.43 -0.35 -4.47 118.68 110.63 1rud s LEU 101 Ca -0.08 -0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 52.16 1rud s LEU 101 Cb 0.16 0.33 0.03 0.00 0.03 0.00 0.00 46.19 46.74 1rud s LEU 101 CO 0.76 -0.46 0.76 -0.83 0.23 0.00 0.00 176.35 176.80 1rud s GLY 102 N -2.12 -0.04 -0.10 -3.19 0.00 -0.63 -0.63 107.32 100.60 1rud s GLY 102 Ca -0.05 -0.32 -0.24 0.00 0.00 0.00 0.00 44.72 44.10 1rud s GLY 102 CO -0.05 -0.07 0.58 -1.60 0.00 0.00 0.00 173.10 171.96 1rud s ARG 103 N -3.62 0.86 0.01 2.90 3.52 0.15 -3.46 118.95 119.32 1rud s ARG 103 Ca 0.12 0.35 -0.28 0.00 -0.13 0.00 0.00 55.73 55.80 1rud s ARG 103 Cb -0.05 0.41 0.09 0.00 -1.56 0.00 0.00 34.95 33.83 1rud s ARG 103 CO 0.07 -0.22 0.76 0.45 -0.81 0.00 0.00 175.30 175.55 1rud s SER 104 N -0.73 -0.50 0.49 -2.12 0.15 -1.26 -1.07 113.70 108.65 1rud s SER 104 Ca -0.08 0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.85 1rud s SER 104 Cb -0.02 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 1rud s SER 104 CO 0.06 -0.69 0.21 -0.83 1.20 0.00 0.00 173.24 173.18 1rud s GLY 105 N -2.05 2.56 0.08 9.45 0.00 -0.18 -4.24 107.32 112.95 1rud s GLY 105 Ca -0.01 -1.28 -0.10 0.00 0.00 0.00 0.00 44.72 43.33 1rud s GLY 105 CO -0.04 -2.01 0.21 -0.19 0.00 0.00 0.00 173.10 171.07 1rud s TYR 106 N -2.75 0.09 -0.23 1.90 2.02 -0.14 -0.49 117.35 117.74 1rud s TYR 106 Ca 0.28 -0.44 -0.05 0.00 -0.37 0.00 0.00 57.07 56.49 1rud s TYR 106 Cb 0.01 -0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.53 1rud s TYR 106 CO 0.16 -0.52 0.01 0.99 -1.57 0.00 0.00 175.55 174.62 1rud s THR 107 N -3.45 3.88 -0.19 -0.71 2.01 -0.31 0.05 115.64 116.92 1rud s THR 107 Ca 0.02 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 1rud s THR 107 Cb 0.03 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1rud s THR 107 CO -0.09 0.39 0.05 -0.69 -0.69 0.00 0.00 174.62 173.59 1rud s VAL 108 N 1.41 4.56 -0.30 3.82 1.01 -0.19 -0.96 120.40 129.75 1rud s VAL 108 Ca 0.05 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1rud s VAL 108 Cb -0.15 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.26 1rud s VAL 108 CO 0.01 0.44 0.03 -2.28 0.00 0.00 0.00 175.10 173.29 1rud s HIS 109 N 0.62 2.93 -0.15 5.22 5.04 0.30 -1.31 115.29 127.93 1rud s HIS 109 Ca 0.02 -2.38 -0.15 0.00 -1.54 0.00 0.00 55.06 51.02 1rud s HIS 109 Cb -0.13 -2.27 -0.05 0.00 0.04 0.00 0.00 32.58 30.18 1rud s HIS 109 CO 0.02 -0.89 0.33 0.08 -2.34 0.00 0.00 174.74 171.93 1rud s VAL 110 N 1.20 5.28 -0.11 0.89 1.01 0.71 -1.89 120.40 127.50 1rud s VAL 110 Ca 0.06 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1rud s VAL 110 Cb -0.19 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1rud s VAL 110 CO -0.12 0.37 -0.19 -1.10 0.00 0.00 0.00 175.10 174.07 1rud s GLN 111 N 0.51 3.11 -0.29 2.72 -0.21 -0.22 -1.30 119.66 123.98 1rud s GLN 111 Ca 0.18 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.79 1rud s GLN 111 Cb -0.13 -2.42 0.18 0.00 1.00 0.00 0.00 33.01 31.63 1rud s GLN 111 CO 0.05 0.24 0.52 0.00 -2.12 0.00 0.00 175.29 173.97 1rud s ASN 113 N 2.72 5.36 0.00 0.00 4.22 -1.26 -4.58 114.94 121.41 1rud s ASN 113 Ca 0.12 -0.19 0.00 0.00 -2.14 0.00 0.00 52.86 50.66 1rud s ASN 113 Cb -0.12 -1.35 0.00 0.00 1.28 0.00 0.00 41.25 41.06 1rud s ASN 113 CO -0.25 0.07 0.00 0.00 -2.04 0.00 0.00 177.10 174.88 1rud n ALA 114 N -0.31 0.00 -2.49 3.54 0.00 -1.26 -4.91 120.51 115.08 1rud n ALA 114 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 1rud n ALA 114 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 1rud n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rud s THR 115 N 2.30 0.00 -1.85 0.00 -4.23 -1.26 -5.03 115.64 105.57 1rud s THR 115 Ca 0.00 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1rud s THR 115 Cb 0.00 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1rud s THR 115 CO 0.00 0.00 0.74 0.29 -0.54 0.00 0.00 174.62 175.11 1rud n LYS 116 N -0.55 0.80 -0.00 3.99 5.02 -1.26 -1.78 118.16 124.38 1rud n LYS 116 Ca 0.04 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.39 1rud n LYS 116 Cb 0.63 -1.06 -0.09 0.00 -0.02 0.00 0.00 35.03 34.49 1rud n LYS 116 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1rud n PHE 117 N -0.41 0.00 -1.70 2.13 3.01 -1.26 -5.01 117.46 114.22 1rud n PHE 117 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1rud n PHE 117 Cb 0.03 -0.21 0.06 0.00 -0.01 0.00 0.00 39.48 39.35 1rud n PHE 117 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1rud s HIS 118 N -2.67 3.11 0.06 1.38 3.76 -0.73 -4.34 115.29 115.87 1rud s HIS 118 Ca -0.02 1.16 -0.01 0.00 -0.15 0.00 0.00 55.06 56.03 1rud s HIS 118 Cb 0.08 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 1rud s HIS 118 CO 0.49 -1.40 -0.02 -1.12 -0.85 0.00 0.00 174.74 171.85 1rud s SER 119 N -4.08 0.46 0.00 1.40 0.01 -0.98 -4.65 113.70 105.85 1rud s SER 119 Ca 0.59 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1rud s SER 119 Cb -0.13 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1rud s SER 119 CO 0.53 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1rud n GLY 120 N 0.09 4.20 3.21 3.44 0.00 -1.25 -0.84 105.19 114.03 1rud n GLY 120 Ca -0.13 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 1rud n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rud s LEU 122 N 2.53 4.35 -0.21 0.00 1.43 -0.07 -1.17 118.68 125.55 1rud s LEU 122 Ca -0.01 0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 1rud s LEU 122 Cb -0.12 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1rud s LEU 122 CO -0.12 0.22 0.19 -0.22 0.23 0.00 0.00 176.35 176.65 1rud s LEU 123 N -2.20 4.17 -0.32 1.79 2.96 0.04 -1.07 118.68 124.05 1rud s LEU 123 Ca 0.31 0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 1rud s LEU 123 Cb -0.13 -2.18 0.04 0.00 0.50 0.00 0.00 46.19 44.42 1rud s LEU 123 CO 0.23 0.10 0.06 -0.69 -1.32 0.00 0.00 176.35 174.73 1rud s VAL 124 N 0.73 3.54 0.05 1.68 1.01 -0.24 -1.46 120.40 125.71 1rud s VAL 124 Ca 0.10 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1rud s VAL 124 Cb -0.13 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1rud s VAL 124 CO 0.02 -0.10 -0.12 0.54 0.00 0.00 0.00 175.10 175.44 1rud s VAL 125 N 1.37 0.88 -0.21 2.92 0.11 -0.46 -0.80 120.40 124.22 1rud s VAL 125 Ca -0.02 -1.13 -0.03 0.00 -2.93 0.00 0.00 61.98 57.86 1rud s VAL 125 Cb -0.19 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1rud s VAL 125 CO 0.01 -0.23 -0.06 -0.69 -3.33 0.00 0.00 175.10 170.80 1rud s VAL 126 N -1.20 3.28 -0.33 2.04 1.01 -0.82 -1.23 120.40 123.16 1rud s VAL 126 Ca -0.04 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1rud s VAL 126 Cb -0.09 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1rud s VAL 126 CO 0.01 0.44 0.09 -0.63 0.00 0.00 0.00 175.10 175.01 1rud s ILE 127 N 1.36 3.72 0.26 2.22 1.01 -0.56 -4.15 121.20 125.05 1rud s ILE 127 Ca 0.04 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 1rud s ILE 127 Cb -0.14 -3.07 -0.09 0.00 0.01 0.00 0.00 42.46 39.16 1rud s ILE 127 CO -0.03 -0.12 1.27 -2.84 0.00 0.00 0.00 174.94 173.23 1rud s PRO 128 N 1.40 4.42 -1.26 2.79 0.02 -1.26 -2.14 135.00 138.96 1rud s PRO 128 Ca -0.01 2.07 -0.10 0.00 0.02 0.00 0.00 61.00 62.98 1rud s PRO 128 Cb -0.19 -3.15 -0.00 0.00 0.02 0.00 0.00 34.50 31.18 1rud s PRO 128 CO 0.02 -0.15 0.64 0.39 -0.33 0.00 0.00 177.00 177.57 1rud n GLU 129 N 1.70 -2.58 -2.02 5.54 -0.58 -1.09 -4.90 120.64 116.71 1rud n GLU 129 Ca 0.03 0.47 -0.34 0.00 -0.42 0.00 0.00 57.16 56.89 1rud n GLU 129 Cb 0.43 -4.45 -0.05 0.00 -0.57 0.00 0.00 31.44 26.80 1rud n GLU 129 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1rud n HIS 130 N -4.27 3.02 -2.31 -0.32 -0.00 -1.24 -4.95 115.22 105.14 1rud n HIS 130 Ca -0.21 -1.85 -0.43 0.00 0.46 0.00 0.00 57.72 55.70 1rud n HIS 130 Cb 0.64 -2.49 -0.02 0.00 -0.12 0.00 0.00 29.99 28.00 1rud n HIS 130 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1rud s GLN 131 N 5.67 4.01 0.74 1.57 0.74 -1.26 -4.95 119.66 126.18 1rud s GLN 131 Ca 0.63 1.55 -0.12 0.00 0.05 0.00 0.00 55.36 57.48 1rud s GLN 131 Cb 0.03 -3.89 0.04 0.00 1.10 0.00 0.00 33.01 30.29 1rud s GLN 131 CO 0.11 -1.01 1.11 -0.51 -0.55 0.00 0.00 175.29 174.44 1rud s LEU 132 N 4.27 2.76 0.08 3.68 1.43 -1.26 -4.75 118.68 124.89 1rud s LEU 132 Ca 0.61 1.12 0.05 0.00 -1.03 0.00 0.00 54.13 54.88 1rud s LEU 132 Cb -0.22 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 1rud s LEU 132 CO 0.22 -1.58 -0.01 0.00 0.23 0.00 0.00 176.35 175.21 1rud s ALA 133 N -3.34 3.26 0.18 4.21 0.00 0.21 -4.96 121.76 121.31 1rud s ALA 133 Ca 0.59 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1rud s ALA 133 Cb -0.12 -1.17 -0.07 0.00 0.00 0.00 0.00 23.12 21.75 1rud s ALA 133 CO 0.52 0.69 0.96 0.45 0.00 0.00 0.00 175.76 178.39 1rud s SER 134 N -2.24 7.55 0.46 0.00 0.15 -1.26 -0.87 113.70 117.48 1rud s SER 134 Ca 0.25 1.89 0.31 0.00 0.70 0.00 0.00 55.95 59.10 1rud s SER 134 Cb -0.12 -2.60 1.28 0.00 -1.71 0.00 0.00 66.02 62.88 1rud s SER 134 CO 0.17 0.02 1.91 1.12 1.20 0.00 0.00 173.24 177.66 1rud h HIS 135 N 4.87 0.00 0.00 3.44 2.07 -1.79 -3.04 115.15 120.69 1rud h HIS 135 Ca -0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 1rud h HIS 135 Cb 1.21 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.18 1rud h HIS 135 CO 0.63 0.00 -0.05 1.49 -3.07 0.00 0.00 177.93 176.93 1rud h GLU 136 N 0.00 0.00 0.00 5.12 4.81 -1.92 -3.49 114.58 119.10 1rud h GLU 136 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rud h GLU 136 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1rud h GLU 136 CO 0.00 0.05 0.00 0.41 -0.73 0.00 0.00 179.01 178.74 1rud n GLY 137 N -0.72 -1.40 7.00 1.92 0.00 -1.15 -4.94 105.19 105.90 1rud n GLY 137 Ca -0.02 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1rud n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rud n GLY 138 N 0.00 3.25 1.96 -0.02 0.00 -1.26 -2.23 105.19 106.89 1rud n GLY 138 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1rud n GLY 138 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rud n ASN 139 N 4.98 1.91 -4.77 1.61 6.94 -1.26 -5.07 115.26 119.60 1rud n ASN 139 Ca 0.00 -2.53 -0.41 0.00 -0.02 0.00 0.00 54.58 51.62 1rud n ASN 139 Cb 0.00 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.00 1rud n ASN 139 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1rud s VAL 140 N -2.57 2.55 0.67 3.53 1.01 -0.94 -5.02 120.40 119.63 1rud s VAL 140 Ca 0.34 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 1rud s VAL 140 Cb 0.36 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 33.49 1rud s VAL 140 CO -0.08 0.12 0.93 -0.55 0.00 0.00 0.00 175.10 175.52 1rud s SER 141 N -0.24 4.69 -0.32 3.32 0.15 -1.26 -4.48 113.70 115.57 1rud s SER 141 Ca 0.52 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 57.00 1rud s SER 141 Cb -0.42 -0.45 0.04 0.00 -1.71 0.00 0.00 66.02 63.49 1rud s SER 141 CO 0.53 -1.60 0.05 -0.69 1.20 0.00 0.00 173.24 172.73 1rud s VAL 142 N -3.04 3.41 0.63 4.45 1.01 -1.26 -4.77 120.40 120.83 1rud s VAL 142 Ca 0.63 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1rud s VAL 142 Cb -0.08 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1rud s VAL 142 CO 0.42 -0.12 1.25 -0.54 0.00 0.00 0.00 175.10 176.12 1rud s LYS 143 N 1.34 2.72 0.07 2.72 -0.14 0.31 -4.83 119.74 121.93 1rud s LYS 143 Ca -0.03 1.94 -0.14 0.00 -1.36 0.00 0.00 55.97 56.37 1rud s LYS 143 Cb -0.19 -1.88 -0.03 0.00 -1.68 0.00 0.00 37.83 34.04 1rud s LYS 143 CO 0.01 -1.43 1.25 -0.92 -0.76 0.00 0.00 175.35 173.50 1rud h TYR 144 N 0.65 -0.87 -0.88 3.18 5.03 -1.97 0.20 116.97 122.31 1rud h TYR 144 Ca -0.51 0.06 0.23 0.00 2.58 0.00 0.00 58.73 61.10 1rud h TYR 144 Cb 1.32 0.44 -0.14 0.00 1.55 0.00 0.00 36.73 39.90 1rud h TYR 144 CO 0.44 -0.17 0.25 1.15 -1.32 0.00 0.00 178.16 178.51 1rud h THR 145 N -0.01 0.33 0.00 1.81 2.02 -1.91 0.12 112.91 115.27 1rud h THR 145 Ca 0.07 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1rud h THR 145 Cb 0.19 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1rud h THR 145 CO -0.43 0.04 -0.08 -0.26 0.37 0.00 0.00 175.52 175.16 1rud h PHE 146 N 0.22 0.00 -0.52 3.16 0.04 -0.89 -2.08 116.94 116.87 1rud h PHE 146 Ca 0.55 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.32 1rud h PHE 146 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1rud h PHE 146 CO -0.25 0.08 0.00 0.25 -0.60 0.00 0.00 178.31 177.79 1rud n THR 147 N -3.82 1.90 -2.70 -1.55 -2.24 0.35 -4.46 114.28 101.77 1rud n THR 147 Ca -0.02 -1.33 -0.14 0.00 -2.27 0.00 0.00 64.05 60.28 1rud n THR 147 Cb 0.18 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1rud n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1rud n HIS 148 N 0.65 1.59 0.17 4.78 8.25 -0.76 -4.93 115.22 124.97 1rud n HIS 148 Ca 0.23 -3.04 0.11 0.00 -0.26 0.00 0.00 57.72 54.76 1rud n HIS 148 Cb 0.85 -0.33 0.58 0.00 1.12 0.00 0.00 29.99 32.21 1rud n HIS 148 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1rud n PRO 149 N -0.11 0.14 0.00 -0.41 -0.04 -1.24 -4.92 135.00 128.41 1rud n PRO 149 Ca 0.18 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1rud n PRO 149 Cb 0.75 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1rud n PRO 149 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rud n GLY 150 N -1.29 -0.50 0.28 0.55 0.00 -1.26 -3.45 105.19 99.51 1rud n GLY 150 Ca -0.01 -1.10 0.15 0.00 0.00 0.00 0.00 46.02 45.05 1rud n GLY 150 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rud h GLU 151 N 0.00 0.00 -0.32 1.61 4.81 -1.81 -1.15 114.58 117.73 1rud h GLU 151 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1rud h GLU 151 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1rud h GLU 151 CO 0.00 0.08 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.24 1rud h ARG 152 N 0.00 0.50 0.00 1.92 2.43 -1.91 -3.43 114.38 113.88 1rud h ARG 152 Ca -0.00 -0.11 0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1rud h ARG 152 Cb 0.29 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1rud h ARG 152 CO 0.01 0.55 -0.12 0.41 -1.51 0.00 0.00 179.97 179.31 1rud n GLY 153 N -0.84 -1.75 3.67 2.80 0.00 -0.43 -4.82 105.19 103.82 1rud n GLY 153 Ca 0.01 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1rud n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rud s ILE 154 N -0.71 4.55 -0.37 -0.61 1.01 0.17 -4.80 121.20 120.43 1rud s ILE 154 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 1rud s ILE 154 Cb 0.00 -2.98 0.06 0.00 0.01 0.00 0.00 42.46 39.56 1rud s ILE 154 CO 0.00 0.55 0.15 -0.62 0.00 0.00 0.00 174.94 175.02 1rud s ASP 155 N -0.34 5.35 0.00 3.58 -1.08 -1.26 -1.06 116.67 121.85 1rud s ASP 155 Ca 0.08 -1.40 0.01 0.00 -0.52 0.00 0.00 52.55 50.72 1rud s ASP 155 Cb -0.12 -1.88 0.09 0.00 -1.46 0.00 0.00 42.92 39.55 1rud s ASP 155 CO 0.02 -0.41 0.61 0.18 0.52 0.00 0.00 175.17 176.08 1rud n LEU 156 N 4.79 0.00 -0.19 -1.34 4.32 -0.80 -0.48 117.00 123.29 1rud n LEU 156 Ca -0.10 0.03 0.02 0.00 -0.02 0.00 0.00 56.01 55.93 1rud n LEU 156 Cb 0.43 -0.03 0.04 0.00 -1.62 0.00 0.00 43.42 42.25 1rud n LEU 156 CO 0.33 -0.03 0.50 -1.54 -1.22 0.00 0.00 177.39 175.44 1rud n SER 157 N -1.03 2.11 -4.84 -1.43 3.41 -1.26 -4.74 113.62 105.85 1rud n SER 157 Ca 0.01 -1.85 -0.29 0.00 -0.26 0.00 0.00 58.87 56.48 1rud n SER 157 Cb 0.01 -0.06 0.11 0.00 -0.26 0.00 0.00 64.21 64.01 1rud n SER 157 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rud s SER 158 N -0.88 4.07 0.43 4.04 1.04 0.36 -5.02 113.70 117.75 1rud s SER 158 Ca 0.07 0.84 -0.13 0.00 0.48 0.00 0.00 55.95 57.20 1rud s SER 158 Cb 0.04 -1.35 -0.07 0.00 0.10 0.00 0.00 66.02 64.73 1rud s SER 158 CO 0.05 -2.19 0.84 0.00 0.98 0.00 0.00 173.24 172.92 1rud s ALA 159 N -3.47 3.25 0.37 5.32 0.00 -1.26 -4.96 121.76 121.01 1rud s ALA 159 Ca 0.63 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.30 1rud s ALA 159 Cb -0.12 -2.86 -0.12 0.00 0.00 0.00 0.00 23.12 20.02 1rud s ALA 159 CO 0.51 -0.03 1.15 0.09 0.00 0.00 0.00 175.76 177.48 1rud n ASN 160 N -1.23 2.00 -4.40 0.00 3.02 -1.26 -4.99 115.26 108.39 1rud n ASN 160 Ca 0.04 1.13 -0.29 0.00 -0.03 0.00 0.00 54.58 55.44 1rud n ASN 160 Cb 0.54 -1.41 -0.08 0.00 -0.61 0.00 0.00 39.78 38.22 1rud n ASN 160 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1rud s GLU 161 N -1.92 2.04 -0.29 3.52 -1.05 -1.26 -5.09 118.70 114.66 1rud s GLU 161 Ca 0.59 -2.27 -0.13 0.00 -0.15 0.00 0.00 54.97 53.01 1rud s GLU 161 Cb -0.58 -1.02 -0.04 0.00 -0.44 0.00 0.00 34.13 32.05 1rud s GLU 161 CO 0.59 -0.42 0.30 0.08 0.95 0.00 0.00 175.26 176.77 1rud s VAL 162 N -3.06 5.23 0.00 1.83 1.01 -1.26 -3.26 120.40 120.89 1rud s VAL 162 Ca 0.17 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1rud s VAL 162 Cb 0.02 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1rud s VAL 162 CO 0.10 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1rud n GLY 163 N 4.88 0.49 3.98 4.51 0.00 -1.26 -4.98 105.19 112.80 1rud n GLY 163 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1rud n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rud s GLY 164 N -1.40 1.79 0.77 -0.02 0.00 -1.20 0.11 107.32 107.36 1rud s GLY 164 Ca 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.13 1rud s GLY 164 CO 0.00 -1.06 1.13 2.56 0.00 0.00 0.00 173.10 175.73 1rud s PRO 165 N -4.97 2.20 0.51 2.90 0.04 -1.26 -4.13 135.00 130.29 1rud s PRO 165 Ca 0.62 0.12 -0.19 0.00 0.04 0.00 0.00 61.00 61.59 1rud s PRO 165 Cb -0.08 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1rud s PRO 165 CO 0.42 -1.40 1.02 0.54 0.04 0.00 0.00 177.00 177.61 1rud s VAL 166 N -3.46 4.05 -0.12 -0.36 0.11 -0.05 -4.50 120.40 116.07 1rud s VAL 166 Ca 0.61 1.15 0.14 0.00 -2.93 0.00 0.00 61.98 60.95 1rud s VAL 166 Cb -0.11 -3.51 0.30 0.00 -1.53 0.00 0.00 36.38 31.53 1rud s VAL 166 CO 0.49 -0.40 1.15 0.29 -3.33 0.00 0.00 175.10 173.30 1rud n LYS 167 N -1.26 1.00 -1.99 1.54 5.02 -1.26 -4.74 118.16 116.47 1rud n LYS 167 Ca 0.08 -2.48 -0.41 0.00 -2.02 0.00 0.00 58.31 53.47 1rud n LYS 167 Cb 0.53 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.33 1rud n LYS 167 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1rud s ASP 168 N -2.58 5.67 0.13 4.39 -1.08 -1.26 -4.75 116.67 117.19 1rud s ASP 168 Ca 0.29 1.06 -0.18 0.00 -0.52 0.00 0.00 52.55 53.19 1rud s ASP 168 Cb 0.28 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 39.18 1rud s ASP 168 CO -0.03 -1.93 1.79 0.58 0.52 0.00 0.00 175.17 176.10 1rud h VAL 169 N 6.87 1.08 0.00 1.11 2.07 -1.92 -2.81 116.25 122.65 1rud h VAL 169 Ca -0.31 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1rud h VAL 169 Cb 1.17 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1rud h VAL 169 CO 1.08 0.07 0.06 0.18 0.02 0.00 0.00 177.57 178.98 1rud n LEU 170 N -4.89 0.00 -0.37 2.57 7.99 -1.26 -1.96 117.00 119.09 1rud n LEU 170 Ca -0.02 0.38 0.08 0.00 -0.01 0.00 0.00 56.01 56.44 1rud n LEU 170 Cb 0.03 -0.38 0.16 0.00 -0.11 0.00 0.00 43.42 43.12 1rud n LEU 170 CO 0.34 -0.38 0.61 -1.22 -1.51 0.00 0.00 177.39 175.23 1rud n TYR 171 N -1.37 0.33 -1.51 -1.77 4.01 -1.06 -1.60 117.16 114.20 1rud n TYR 171 Ca 0.00 -0.84 -0.14 0.00 -0.16 0.00 0.00 57.90 56.76 1rud n TYR 171 Cb 0.06 -0.17 -0.05 0.00 -0.31 0.00 0.00 39.34 38.86 1rud n TYR 171 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1rud n ASN 172 N -0.83 -3.70 -1.20 7.72 3.02 -0.83 -0.80 115.26 118.64 1rud n ASN 172 Ca 0.15 0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 54.87 1rud n ASN 172 Cb 0.64 -3.41 -0.07 0.00 -0.61 0.00 0.00 39.78 36.34 1rud n ASN 172 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1rud n MET 173 N -2.01 -1.20 -0.32 3.52 2.81 -1.25 -4.81 117.12 113.87 1rud n MET 173 Ca -0.14 1.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.79 1rud n MET 173 Cb 0.47 -5.25 0.00 0.00 -0.71 0.00 0.00 33.22 27.73 1rud n MET 173 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1rud n ASN 174 N -0.72 0.00 0.00 7.83 2.04 0.02 -0.62 115.26 123.80 1rud n ASN 174 Ca -0.16 -1.12 0.00 0.00 -0.44 0.00 0.00 54.58 52.86 1rud n ASN 174 Cb 0.54 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 1rud n ASN 174 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1rud n GLY 175 N 0.00 0.66 3.36 4.83 0.00 -0.72 -4.93 105.19 108.39 1rud n GLY 175 Ca 0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 1rud n GLY 175 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rud s THR 176 N -2.00 1.85 0.11 2.61 -4.23 -1.11 -5.07 115.64 107.80 1rud s THR 176 Ca 0.00 -2.15 -0.22 0.00 -1.18 0.00 0.00 61.69 58.14 1rud s THR 176 Cb 0.00 -2.02 -0.07 0.00 1.34 0.00 0.00 72.50 71.75 1rud s THR 176 CO 0.00 -0.49 0.65 -0.76 -0.54 0.00 0.00 174.62 173.48 1rud s LEU 177 N -3.15 4.55 0.23 4.79 1.43 -1.26 -3.33 118.68 121.94 1rud s LEU 177 Ca 0.21 1.41 -0.10 0.00 -1.03 0.00 0.00 54.13 54.62 1rud s LEU 177 Cb -0.03 -3.06 0.33 0.00 0.03 0.00 0.00 46.19 43.47 1rud s LEU 177 CO 0.08 0.24 1.63 0.25 0.23 0.00 0.00 176.35 178.78 1rud h LEU 178 N 4.52 -0.47 -1.94 1.79 5.85 -1.51 -0.69 115.31 122.86 1rud h LEU 178 Ca -0.48 0.19 0.41 0.00 0.84 0.00 0.00 57.88 58.84 1rud h LEU 178 Cb 1.21 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 42.54 1rud h LEU 178 CO 0.65 -0.19 1.01 1.23 -0.34 0.00 0.00 178.44 180.80 1rud h GLY 179 N 0.06 0.13 -2.73 3.75 0.00 -1.93 -2.25 103.07 100.10 1rud h GLY 179 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1rud h GLY 179 CO -0.66 -0.03 0.00 0.70 0.00 0.00 0.00 176.54 176.56 1rud n ASN 180 N -4.16 4.08 0.14 0.19 3.02 -0.27 -4.19 115.26 114.08 1rud n ASN 180 Ca 0.32 -2.20 0.13 0.00 -0.03 0.00 0.00 54.58 52.79 1rud n ASN 180 Cb 1.46 -0.51 0.48 0.00 -0.61 0.00 0.00 39.78 40.60 1rud n ASN 180 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1rud h LEU 181 N 3.94 0.00 -1.19 3.41 5.85 -1.52 -2.76 115.31 123.04 1rud h LEU 181 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1rud h LEU 181 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1rud h LEU 181 CO 0.11 0.00 0.00 -0.07 -0.34 0.00 0.00 178.44 178.14 1rud h LEU 182 N 0.00 0.00 -0.87 2.25 4.07 -1.80 -1.01 115.31 117.95 1rud h LEU 182 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1rud h LEU 182 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1rud h LEU 182 CO 0.00 0.00 0.00 -0.29 -1.08 0.00 0.00 178.44 177.07 1rud h ILE 183 N 0.00 0.00 -3.47 1.22 6.09 -1.83 -3.44 117.51 116.07 1rud h ILE 183 Ca 0.00 -0.27 -0.53 0.00 -1.37 0.00 0.00 64.86 62.69 1rud h ILE 183 Cb 0.32 1.05 -0.03 0.00 0.47 0.00 0.00 36.82 38.63 1rud h ILE 183 CO 0.00 0.00 -0.08 -0.36 -3.07 0.00 0.00 178.15 174.64 1rud s PHE 184 N -3.39 3.43 -0.08 2.19 0.08 -0.38 -4.99 117.98 114.82 1rud s PHE 184 Ca 0.03 0.94 -0.38 0.00 0.12 0.00 0.00 56.93 57.64 1rud s PHE 184 Cb 0.09 -2.31 -0.16 0.00 -0.57 0.00 0.00 43.02 40.07 1rud s PHE 184 CO 0.41 0.25 1.54 -0.35 -0.10 0.00 0.00 175.22 176.98 1rud n PRO 185 N -0.12 1.19 -3.90 0.24 -0.04 -1.26 -4.81 135.00 126.31 1rud n PRO 185 Ca 0.01 0.43 -0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1rud n PRO 185 Cb 0.52 -2.10 -0.02 0.00 -0.04 0.00 0.00 33.50 31.86 1rud n PRO 185 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1rud s HIS 186 N 1.99 0.08 -0.02 0.54 -3.43 -1.26 -1.95 115.29 111.24 1rud s HIS 186 Ca 0.91 -0.55 -0.20 0.00 -0.80 0.00 0.00 55.06 54.43 1rud s HIS 186 Cb -1.00 0.56 0.04 0.00 -1.43 0.00 0.00 32.58 30.75 1rud s HIS 186 CO 0.55 -1.24 0.42 -1.14 -2.00 0.00 0.00 174.74 171.34 1rud s GLN 187 N -3.58 0.80 0.18 -0.38 0.74 0.02 -4.95 119.66 112.49 1rud s GLN 187 Ca 0.16 -0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.52 1rud s GLN 187 Cb -0.04 0.36 -0.03 0.00 1.10 0.00 0.00 33.01 34.40 1rud s GLN 187 CO 0.09 -0.24 0.27 -0.06 -0.55 0.00 0.00 175.29 174.81 1rud s PHE 188 N -1.40 3.40 -0.36 1.67 0.08 -1.26 -1.07 117.98 119.04 1rud s PHE 188 Ca -0.12 0.05 0.02 0.00 0.12 0.00 0.00 56.93 56.99 1rud s PHE 188 Cb -0.03 -1.60 0.10 0.00 -0.57 0.00 0.00 43.02 40.92 1rud s PHE 188 CO 0.05 0.50 0.09 0.42 -0.10 0.00 0.00 175.22 176.18 1rud s ILE 189 N -1.83 2.62 -0.33 0.64 1.01 -0.23 -4.81 121.20 118.27 1rud s ILE 189 Ca 0.34 -2.20 -0.08 0.00 0.00 0.00 0.00 60.65 58.71 1rud s ILE 189 Cb -0.10 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.53 1rud s ILE 189 CO 0.28 -0.60 0.12 0.21 0.00 0.00 0.00 174.94 174.95 1rud s ASN 190 N 1.22 5.38 0.42 3.58 3.04 -1.26 -0.89 114.94 126.42 1rud s ASN 190 Ca 0.09 -0.96 0.26 0.00 0.04 0.00 0.00 52.86 52.29 1rud s ASN 190 Cb -0.20 -1.92 1.33 0.00 -1.54 0.00 0.00 41.25 38.92 1rud s ASN 190 CO -0.06 -0.30 1.65 -0.07 -3.04 0.00 0.00 177.10 175.28 1rud h LEU 191 N 8.28 0.31 -0.65 3.21 3.38 -1.61 1.51 115.31 129.75 1rud h LEU 191 Ca -0.26 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1rud h LEU 191 Cb 1.10 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1rud h LEU 191 CO 0.62 -0.14 0.00 -2.11 0.09 0.00 0.00 178.44 176.90 1rud n ARG 192 N -4.73 0.18 0.01 1.13 1.85 -1.26 -4.44 116.66 109.38 1rud n ARG 192 Ca 0.34 0.41 -0.00 0.00 -1.00 0.00 0.00 57.85 57.60 1rud n ARG 192 Cb 1.28 -1.84 -0.00 0.00 -1.05 0.00 0.00 32.46 30.84 1rud n ARG 192 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1rud n THR 193 N -2.18 0.19 -3.16 8.89 -1.04 0.51 -5.11 114.28 112.39 1rud n THR 193 Ca 0.02 0.09 -0.32 0.00 -2.04 0.00 0.00 64.05 61.80 1rud n THR 193 Cb 0.22 -1.14 -0.06 0.00 -1.82 0.00 0.00 70.33 67.54 1rud n THR 193 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1rud s ASN 194 N -5.08 6.75 0.00 8.00 2.47 -1.03 -4.86 114.94 121.18 1rud s ASN 194 Ca -0.00 1.23 0.00 0.00 0.42 0.00 0.00 52.86 54.51 1rud s ASN 194 Cb 0.00 -2.35 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 1rud s ASN 194 CO 0.01 -0.20 0.00 -0.46 -3.72 0.00 0.00 177.10 172.73 1rud n ASN 195 N -0.38 0.23 -4.27 -4.21 2.04 -0.50 -4.27 115.26 103.90 1rud n ASN 195 Ca 0.03 -0.03 -0.15 0.00 -0.44 0.00 0.00 54.58 54.00 1rud n ASN 195 Cb 0.53 0.10 -0.10 0.00 -2.53 0.00 0.00 39.78 37.78 1rud n ASN 195 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1rud s THR 196 N -0.14 0.44 -0.02 5.53 -4.23 -1.25 0.02 115.64 115.99 1rud s THR 196 Ca 0.00 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1rud s THR 196 Cb 0.00 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1rud s THR 196 CO 0.00 -0.11 -0.03 0.00 -0.54 0.00 0.00 174.62 173.94 1rud s ALA 197 N -3.83 0.36 -0.05 3.99 0.00 -0.42 -4.51 121.76 117.31 1rud s ALA 197 Ca 0.35 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1rud s ALA 197 Cb 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1rud s ALA 197 CO 0.11 0.02 -0.04 0.99 0.00 0.00 0.00 175.76 176.83 1rud s THR 198 N 0.43 0.55 -0.06 0.00 2.01 -1.26 -0.21 115.64 117.10 1rud s THR 198 Ca -0.04 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1rud s THR 198 Cb -0.08 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1rud s THR 198 CO -0.01 0.23 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.40 1rud s ILE 199 N 1.02 1.14 -0.23 1.82 1.01 -0.43 -1.77 121.20 123.76 1rud s ILE 199 Ca -0.09 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 1rud s ILE 199 Cb -0.14 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1rud s ILE 199 CO -0.00 0.35 0.15 -0.69 0.00 0.00 0.00 174.94 174.75 1rud s VAL 200 N 0.54 5.35 -0.27 2.92 1.01 0.58 -1.02 120.40 129.51 1rud s VAL 200 Ca -0.12 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1rud s VAL 200 Cb -0.15 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1rud s VAL 200 CO 0.03 0.37 0.01 -0.63 0.00 0.00 0.00 175.10 174.88 1rud s ILE 201 N 0.91 3.51 0.68 2.22 1.01 0.11 -1.23 121.20 128.40 1rud s ILE 201 Ca 0.08 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 1rud s ILE 201 Cb -0.13 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 1rud s ILE 201 CO 0.03 0.18 1.05 -2.16 0.00 0.00 0.00 174.94 174.05 1rud s PRO 202 N 1.44 3.09 -0.14 2.79 0.04 -1.26 -0.97 135.00 139.98 1rud s PRO 202 Ca 0.02 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.67 1rud s PRO 202 Cb -0.16 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1rud s PRO 202 CO -0.01 -0.98 1.48 -0.47 0.04 0.00 0.00 177.00 177.07 1rud s TYR 203 N -3.08 2.36 -0.27 0.56 5.04 -1.26 -4.86 117.35 115.85 1rud s TYR 203 Ca 0.57 0.60 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 1rud s TYR 203 Cb -0.13 -3.78 0.06 0.00 0.35 0.00 0.00 41.96 38.46 1rud s TYR 203 CO 0.55 -2.74 -0.08 0.42 -1.34 0.00 0.00 175.55 172.36 1rud s ILE 204 N 4.10 2.41 0.23 3.14 1.01 -1.26 -5.07 121.20 125.76 1rud s ILE 204 Ca 0.65 -1.57 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 1rud s ILE 204 Cb -0.26 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.81 1rud s ILE 204 CO 0.24 -0.06 0.52 0.21 0.00 0.00 0.00 174.94 175.85 1rud s ASN 205 N 1.14 -0.16 0.00 3.58 3.04 -1.26 -4.93 114.94 116.35 1rud s ASN 205 Ca -0.08 -0.75 0.25 0.00 0.04 0.00 0.00 52.86 52.32 1rud s ASN 205 Cb -0.20 0.60 0.35 0.00 -1.54 0.00 0.00 41.25 40.46 1rud s ASN 205 CO -0.04 -1.14 1.35 -1.54 -3.04 0.00 0.00 177.10 172.69 1rud n SER 206 N -0.37 2.65 -4.25 -4.21 3.41 -1.26 -4.88 113.62 104.71 1rud n SER 206 Ca -0.05 -1.87 -0.18 0.00 -0.26 0.00 0.00 58.87 56.51 1rud n SER 206 Cb 0.62 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 1rud n SER 206 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1rud s VAL 207 N -2.03 1.35 0.32 -3.33 -7.23 -1.26 -5.07 120.40 103.16 1rud s VAL 207 Ca 0.29 -1.74 0.23 0.00 -1.81 0.00 0.00 61.98 58.96 1rud s VAL 207 Cb 0.20 -1.56 0.23 0.00 0.56 0.00 0.00 36.38 35.82 1rud s VAL 207 CO 0.32 -0.42 1.95 1.55 -0.31 0.00 0.00 175.10 178.19 1rud h PRO 208 N 3.49 0.00 -2.07 4.82 0.13 -1.90 -3.44 132.00 133.03 1rud h PRO 208 Ca -0.40 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.69 1rud h PRO 208 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 1rud h PRO 208 CO 0.51 0.21 0.23 -1.50 -0.23 0.00 0.00 178.00 177.22 1rud s ILE 209 N -4.02 0.00 0.13 -3.56 2.07 -1.26 -5.00 121.20 109.56 1rud s ILE 209 Ca -0.02 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1rud s ILE 209 Cb 0.12 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.71 1rud s ILE 209 CO 0.63 0.00 0.14 -0.67 -1.91 0.00 0.00 174.94 173.13 1rud n ASP 210 N 0.73 -0.38 -4.78 4.50 -0.08 -1.22 -4.95 116.55 110.37 1rud n ASP 210 Ca -0.18 -1.78 -0.39 0.00 -1.51 0.00 0.00 54.79 50.93 1rud n ASP 210 Cb 0.58 0.78 -0.06 0.00 2.34 0.00 0.00 41.12 44.77 1rud n ASP 210 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1rud s SER 211 N -1.85 7.33 0.05 1.67 0.15 -1.26 -1.60 113.70 118.19 1rud s SER 211 Ca 0.13 1.58 0.26 0.00 0.70 0.00 0.00 55.95 58.62 1rud s SER 211 Cb 0.00 -2.48 0.66 0.00 -1.71 0.00 0.00 66.02 62.49 1rud s SER 211 CO 0.09 0.19 1.54 0.23 1.20 0.00 0.00 173.24 176.50 1rud n MET 212 N 1.75 0.10 -0.09 5.44 2.81 -1.26 -3.80 117.12 122.06 1rud n MET 212 Ca -0.06 0.04 -0.12 0.00 -1.81 0.00 0.00 57.70 55.75 1rud n MET 212 Cb 0.49 -1.58 -0.11 0.00 -0.71 0.00 0.00 33.22 31.32 1rud n MET 212 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1rud n THR 213 N -1.73 1.15 1.36 2.03 -2.24 -1.26 -4.45 114.28 109.14 1rud n THR 213 Ca 0.05 -0.53 0.14 0.00 -2.27 0.00 0.00 64.05 61.44 1rud n THR 213 Cb 0.37 -1.00 0.54 0.00 -2.10 0.00 0.00 70.33 68.14 1rud n THR 213 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1rud n ARG 214 N -2.92 0.77 -3.70 -0.78 1.85 -1.26 -4.78 116.66 105.84 1rud n ARG 214 Ca -0.33 -0.33 -0.13 0.00 -1.00 0.00 0.00 57.85 56.05 1rud n ARG 214 Cb 0.93 -1.49 -0.14 0.00 -1.05 0.00 0.00 32.46 30.72 1rud n ARG 214 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1rud s HIS 215 N -2.46 -0.34 -0.04 2.89 5.04 -1.25 -5.09 115.29 114.04 1rud s HIS 215 Ca 0.28 0.82 -0.10 0.00 -1.54 0.00 0.00 55.06 54.51 1rud s HIS 215 Cb 0.20 -0.03 -0.05 0.00 0.04 0.00 0.00 32.58 32.74 1rud s HIS 215 CO 0.48 -0.28 0.28 -0.80 -2.34 0.00 0.00 174.74 172.08 1rud s ASN 216 N 1.84 6.59 0.00 9.88 0.02 -1.26 -4.68 114.94 127.32 1rud s ASN 216 Ca -0.04 0.70 0.12 0.00 -1.02 0.00 0.00 52.86 52.62 1rud s ASN 216 Cb -0.11 -2.15 -0.04 0.00 0.02 0.00 0.00 41.25 38.97 1rud s ASN 216 CO -0.08 0.34 0.66 -0.46 0.02 0.00 0.00 177.10 177.58 1rud n ASN 217 N 1.74 1.15 -3.76 -1.22 6.94 -0.08 -4.79 115.26 115.24 1rud n ASN 217 Ca -0.16 -1.07 -0.13 0.00 -0.02 0.00 0.00 54.58 53.20 1rud n ASN 217 Cb 0.53 0.62 -0.08 0.00 -2.36 0.00 0.00 39.78 38.49 1rud n ASN 217 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1rud s VAL 218 N -1.73 0.06 -0.07 3.53 -7.23 -1.22 -2.66 120.40 111.09 1rud s VAL 218 Ca 0.09 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.76 1rud s VAL 218 Cb 0.10 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.33 1rud s VAL 218 CO 0.36 -0.29 -0.14 -0.94 -0.31 0.00 0.00 175.10 173.78 1rud s SER 219 N -1.50 4.00 -0.09 4.85 1.04 -0.91 -1.06 113.70 120.03 1rud s SER 219 Ca -0.12 -0.24 -0.13 0.00 0.48 0.00 0.00 55.95 55.94 1rud s SER 219 Cb -0.04 -1.04 -0.05 0.00 0.10 0.00 0.00 66.02 64.99 1rud s SER 219 CO 0.02 0.30 0.33 -0.22 0.98 0.00 0.00 173.24 174.65 1rud s LEU 220 N -0.44 4.37 -0.06 2.42 2.96 0.48 -1.49 118.68 126.91 1rud s LEU 220 Ca 0.05 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 1rud s LEU 220 Cb -0.12 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.15 1rud s LEU 220 CO 0.02 0.24 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.88 1rud s MET 221 N -0.40 1.32 -0.21 1.98 1.75 -0.37 -1.38 119.30 122.00 1rud s MET 221 Ca 0.20 -0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.35 1rud s MET 221 Cb -0.14 -1.19 0.00 0.00 2.84 0.00 0.00 34.83 36.34 1rud s MET 221 CO 0.08 -0.05 -0.10 0.08 -0.65 0.00 0.00 175.02 174.39 1rud s VAL 222 N 0.87 2.90 -0.14 10.11 1.01 -0.62 -1.35 120.40 133.18 1rud s VAL 222 Ca -0.11 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1rud s VAL 222 Cb -0.15 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1rud s VAL 222 CO 0.01 0.46 -0.10 -0.63 0.00 0.00 0.00 175.10 174.84 1rud s ILE 223 N 1.41 1.29 0.24 2.22 1.01 -0.54 -0.70 121.20 126.13 1rud s ILE 223 Ca 0.05 -0.52 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 1rud s ILE 223 Cb -0.14 -1.29 -0.11 0.00 0.01 0.00 0.00 42.46 40.94 1rud s ILE 223 CO -0.07 0.36 1.55 -2.84 0.00 0.00 0.00 174.94 173.94 1rud s PRO 224 N 1.59 4.19 -0.01 2.79 0.02 -1.26 -0.78 135.00 141.54 1rud s PRO 224 Ca 0.04 2.43 -0.03 0.00 0.02 0.00 0.00 61.00 63.47 1rud s PRO 224 Cb -0.13 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 1rud s PRO 224 CO -0.09 -0.57 -0.06 -0.89 -0.33 0.00 0.00 177.00 175.06 1rud n ILE 225 N 2.86 0.63 -3.34 2.83 5.41 -0.32 -4.89 119.36 122.53 1rud n ILE 225 Ca 0.10 0.09 -0.40 0.00 1.00 0.00 0.00 62.75 63.54 1rud n ILE 225 Cb 0.38 -1.62 -0.09 0.00 -0.71 0.00 0.00 39.64 37.61 1rud n ILE 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rud s ALA 226 N -2.11 3.54 0.58 -1.39 0.00 -1.05 -4.96 121.76 116.37 1rud s ALA 226 Ca -0.06 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 1rud s ALA 226 Cb 0.02 -2.81 -0.09 0.00 0.00 0.00 0.00 23.12 20.24 1rud s ALA 226 CO 0.08 -0.84 0.50 -0.35 0.00 0.00 0.00 175.76 175.14 1rud n PRO 227 N 5.45 0.48 -2.29 0.00 -0.04 -1.26 -1.12 135.00 136.21 1rud n PRO 227 Ca -0.07 0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 1rud n PRO 227 Cb 0.50 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1rud n PRO 227 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1rud s LEU 228 N 0.85 4.41 -0.25 1.53 2.96 -1.26 -3.90 118.68 123.01 1rud s LEU 228 Ca 0.68 2.27 -0.00 0.00 -0.22 0.00 0.00 54.13 56.86 1rud s LEU 228 Cb -0.44 -3.60 0.07 0.00 0.50 0.00 0.00 46.19 42.73 1rud s LEU 228 CO 0.55 -0.50 0.02 -0.89 -1.32 0.00 0.00 176.35 174.21 1rud s THR 229 N 0.45 1.16 0.39 3.68 2.01 -0.02 -4.74 115.64 118.56 1rud s THR 229 Ca 0.58 -1.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 1rud s THR 229 Cb -0.34 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1rud s THR 229 CO 0.34 -0.33 0.67 0.68 -0.69 0.00 0.00 174.62 175.30 1rud s VAL 230 N 1.53 4.95 0.98 3.82 -7.23 -1.26 -2.33 120.40 120.87 1rud s VAL 230 Ca 0.01 0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 60.19 1rud s VAL 230 Cb -0.18 -3.80 0.16 0.00 0.56 0.00 0.00 36.38 33.12 1rud s VAL 230 CO -0.12 -0.58 1.02 -0.81 -0.31 0.00 0.00 175.10 174.29 1rud n PRO 231 N -1.61 -0.88 -1.69 4.82 -0.04 -1.26 -4.80 135.00 129.54 1rud n PRO 231 Ca -0.01 -0.20 -0.44 0.00 -0.04 0.00 0.00 63.50 62.81 1rud n PRO 231 Cb 0.55 -2.27 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1rud n PRO 231 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1rud n THR 232 N -4.35 0.16 -2.12 0.52 -1.04 -1.26 -1.10 114.28 105.11 1rud n THR 232 Ca 0.09 -0.03 -0.21 0.00 -2.04 0.00 0.00 64.05 61.87 1rud n THR 232 Cb 0.53 -1.85 -0.04 0.00 -1.82 0.00 0.00 70.33 67.15 1rud n THR 232 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rud n GLY 233 N 3.89 0.38 3.91 3.41 0.00 -1.26 -4.99 105.19 110.53 1rud n GLY 233 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1rud n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rud s ALA 234 N -2.94 3.44 0.28 4.61 0.00 -0.26 -5.01 121.76 121.89 1rud s ALA 234 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 1rud s ALA 234 Cb 0.00 -2.53 -0.11 0.00 0.00 0.00 0.00 23.12 20.48 1rud s ALA 234 CO 0.00 -0.26 1.52 0.99 0.00 0.00 0.00 175.76 178.01 1rud s THR 235 N -2.63 2.30 0.00 0.00 2.01 -1.26 -4.87 115.64 111.18 1rud s THR 235 Ca 0.47 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 1rud s THR 235 Cb -0.10 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.18 1rud s THR 235 CO 0.42 0.04 2.35 -0.81 -0.69 0.00 0.00 174.62 175.94 1rud n PRO 236 N 2.07 1.22 -3.51 4.92 -0.04 -1.26 -4.80 135.00 133.59 1rud n PRO 236 Ca 0.07 -0.24 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 1rud n PRO 236 Cb 0.39 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1rud n PRO 236 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1rud s SER 237 N 2.00 -0.49 0.02 3.54 1.04 -1.26 -4.22 113.70 114.34 1rud s SER 237 Ca 0.16 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.49 1rud s SER 237 Cb 0.08 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 1rud s SER 237 CO 0.00 -1.03 -0.10 -0.76 0.98 0.00 0.00 173.24 172.33 1rud s LEU 238 N -2.78 2.14 0.40 2.42 1.02 -0.42 -4.98 118.68 116.48 1rud s LEU 238 Ca 0.03 -0.37 -0.19 0.00 0.02 0.00 0.00 54.13 53.63 1rud s LEU 238 Cb -0.02 -0.39 -0.10 0.00 0.02 0.00 0.00 46.19 45.70 1rud s LEU 238 CO -0.09 -0.02 0.89 -2.16 0.02 0.00 0.00 176.35 174.99 1rud s PRO 239 N -0.92 4.13 -0.12 1.29 0.04 -1.26 0.38 135.00 138.54 1rud s PRO 239 Ca -0.01 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.00 1rud s PRO 239 Cb -0.07 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 1rud s PRO 239 CO 0.00 0.01 -0.18 0.42 0.04 0.00 0.00 177.00 177.29 1rud s ILE 240 N -2.16 2.57 -0.06 0.56 1.01 0.59 -4.66 121.20 119.06 1rud s ILE 240 Ca 0.59 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1rud s ILE 240 Cb -0.09 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1rud s ILE 240 CO 0.16 0.54 -0.13 -0.89 0.00 0.00 0.00 174.94 174.62 1rud s THR 241 N 0.44 3.19 -0.21 2.92 2.01 -0.37 -1.03 115.64 122.59 1rud s THR 241 Ca -0.13 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 1rud s THR 241 Cb -0.17 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 1rud s THR 241 CO 0.06 0.59 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 1rud s VAL 242 N -0.65 3.36 -0.14 3.82 1.01 -1.26 -1.05 120.40 125.49 1rud s VAL 242 Ca 0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1rud s VAL 242 Cb -0.11 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1rud s VAL 242 CO 0.01 0.43 -0.11 -0.89 0.00 0.00 0.00 175.10 174.55 1rud s THR 243 N 1.36 3.24 -0.03 3.92 2.01 -0.79 -1.77 115.64 123.58 1rud s THR 243 Ca 0.04 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1rud s THR 243 Cb -0.14 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.99 1rud s THR 243 CO -0.03 0.51 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.66 1rud s ILE 244 N 0.39 1.07 -0.17 1.82 1.01 0.29 -0.54 121.20 125.07 1rud s ILE 244 Ca -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1rud s ILE 244 Cb -0.15 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.42 1rud s ILE 244 CO 0.05 0.32 -0.15 0.00 0.00 0.00 0.00 174.94 175.16 1rud s ALA 245 N 0.02 2.00 0.55 9.38 0.00 -0.13 -1.00 121.76 132.58 1rud s ALA 245 Ca -0.01 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.69 1rud s ALA 245 Cb -0.09 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1rud s ALA 245 CO 0.01 -0.47 1.26 -2.30 0.00 0.00 0.00 175.76 174.26 1rud n PRO 246 N 4.72 1.49 -3.79 0.00 -0.02 -1.25 -1.16 135.00 134.98 1rud n PRO 246 Ca -0.17 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 1rud n PRO 246 Cb 0.49 -2.46 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 1rud n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rud s MET 247 N -2.83 0.31 -1.48 -0.52 0.23 0.35 -4.06 119.30 111.31 1rud s MET 247 Ca 0.72 0.28 -0.10 0.00 -1.03 0.00 0.00 55.69 55.57 1rud s MET 247 Cb -0.43 0.15 0.06 0.00 -1.53 0.00 0.00 34.83 33.09 1rud s MET 247 CO 0.49 -0.04 0.90 0.00 -2.03 0.00 0.00 175.02 174.33 1rud s THR 249 N -3.41 3.14 -0.01 0.00 2.01 -1.26 -4.60 115.64 111.51 1rud s THR 249 Ca 0.49 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.64 1rud s THR 249 Cb -0.24 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1rud s THR 249 CO 0.83 0.27 -0.02 -1.61 -0.69 0.00 0.00 174.62 173.40 1rud s GLU 250 N -1.61 0.26 0.11 4.92 2.02 -0.24 -4.44 118.70 119.71 1rud s GLU 250 Ca 0.47 -0.07 0.10 0.00 0.02 0.00 0.00 54.97 55.48 1rud s GLU 250 Cb -0.35 -0.28 -0.04 0.00 0.10 0.00 0.00 34.13 33.56 1rud s GLU 250 CO 0.46 0.03 -0.25 -0.06 0.02 0.00 0.00 175.26 175.45 1rud s PHE 251 N 0.14 2.19 0.00 1.61 0.08 -0.32 0.32 117.98 122.00 1rud s PHE 251 Ca -0.01 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.48 1rud s PHE 251 Cb -0.04 -1.21 0.03 0.00 -0.57 0.00 0.00 43.02 41.23 1rud s PHE 251 CO -0.00 0.27 0.35 0.45 -0.10 0.00 0.00 175.22 176.19 1rud s SER 252 N -1.86 -0.23 -0.25 1.36 0.15 0.19 0.10 113.70 113.16 1rud s SER 252 Ca 0.12 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.83 1rud s SER 252 Cb -0.10 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 1rud s SER 252 CO 0.05 -0.52 0.23 0.61 1.20 0.00 0.00 173.24 174.81 1rud n GLY 253 N 1.00 -0.24 3.82 9.45 0.00 -1.26 -1.21 105.19 116.75 1rud n GLY 253 Ca -0.20 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1rud n GLY 253 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1rud s ILE 254 N -3.04 4.44 0.00 -0.61 2.07 -1.26 0.79 121.20 123.59 1rud s ILE 254 Ca 0.05 1.40 0.00 0.00 -1.41 0.00 0.00 60.65 60.69 1rud s ILE 254 Cb -0.01 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 38.93 1rud s ILE 254 CO 0.22 -0.22 0.00 -2.11 -1.91 0.00 0.00 174.94 170.92 1rud n ARG 255 N -0.40 0.00 0.11 3.50 0.00 -1.05 -4.91 116.66 113.91 1rud n ARG 255 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.91 1rud n ARG 255 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.98 1rud n ARG 255 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1rud h SER 256 N 0.00 0.00 0.00 2.89 0.02 -1.93 -3.48 113.55 111.05 1rud h SER 256 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rud h SER 256 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rud h SER 256 CO 0.00 0.58 0.00 1.17 -1.14 0.00 0.00 176.83 177.44 1rud n LYS 257 N -3.19 0.00 -1.73 3.45 4.81 -1.26 -4.99 118.16 115.25 1rud n LYS 257 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 1rud n LYS 257 Cb 0.78 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.88 1rud n LYS 257 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1rud n SER 258 N 0.00 2.35 -4.20 3.14 7.64 0.13 -4.95 113.62 117.73 1rud n SER 258 Ca 0.00 0.92 -0.34 0.00 1.01 0.00 0.00 58.87 60.46 1rud n SER 258 Cb 0.00 -1.55 -0.15 0.00 -1.01 0.00 0.00 64.21 61.49 1rud n SER 258 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rud s ILE 259 N -1.33 2.63 0.18 0.44 1.01 -1.26 -4.94 121.20 117.93 1rud s ILE 259 Ca 0.75 -0.76 0.11 0.00 0.00 0.00 0.00 60.65 60.75 1rud s ILE 259 Cb -0.41 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1rud s ILE 259 CO 0.46 0.48 -0.24 0.68 0.00 0.00 0.00 174.94 176.32 1rud s VAL 260 N 1.37 2.39 0.27 2.92 -7.23 -1.26 -5.07 120.40 113.79 1rud s VAL 260 Ca 0.05 -1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 58.00 1rud s VAL 260 Cb -0.14 -2.13 -0.15 0.00 0.56 0.00 0.00 36.38 34.52 1rud s VAL 260 CO -0.09 -0.07 0.64 -2.65 -0.31 0.00 0.00 175.10 172.62 1rud n PRO 261 N 0.38 0.47 -0.62 4.82 -0.02 -1.26 -5.18 135.00 133.59 1rud n PRO 261 Ca -0.13 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1rud n PRO 261 Cb 0.55 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1rud n PRO 261 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42