#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8d n LYS 5 N 0.00 0.76 -1.56 0.03 4.81 -1.26 -5.01 118.16 115.93 2k8d n LYS 5 Ca 0.00 -2.53 0.00 0.00 -0.87 0.00 0.00 58.31 54.91 2k8d n LYS 5 Cb 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 33.71 2k8d n LYS 5 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2k8d n ASP 6 N 1.46 0.00 -4.49 3.14 5.68 -1.26 -5.08 116.55 116.00 2k8d n ASP 6 Ca 0.15 -0.83 -0.24 0.00 -0.50 0.00 0.00 54.79 53.37 2k8d n ASP 6 Cb 0.58 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.47 2k8d n ASP 6 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2k8d s ARG 7 N -1.49 1.76 -0.17 0.11 0.52 -1.26 -2.11 118.95 116.30 2k8d s ARG 7 Ca 0.00 -1.73 -0.02 0.00 -0.52 0.00 0.00 55.73 53.46 2k8d s ARG 7 Cb 0.00 -1.82 0.05 0.00 0.52 0.00 0.00 34.95 33.70 2k8d s ARG 7 CO 0.00 0.33 -0.01 0.96 0.02 0.00 0.00 175.30 176.60 2k8d s ILE 8 N -2.49 0.80 -0.47 1.52 -4.36 0.17 -4.94 121.20 111.42 2k8d s ILE 8 Ca 0.30 -0.57 -0.28 0.00 -0.26 0.00 0.00 60.65 59.84 2k8d s ILE 8 Cb -0.05 -1.13 -0.00 0.00 1.25 0.00 0.00 42.46 42.52 2k8d s ILE 8 CO 0.16 -0.04 1.63 -2.16 0.24 0.00 0.00 174.94 174.77 2k8d s PRO 9 N 1.75 3.21 -1.27 0.37 0.04 -1.26 -1.18 135.00 136.66 2k8d s PRO 9 Ca -0.00 0.88 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 2k8d s PRO 9 Cb -0.16 -4.19 0.05 0.00 0.04 0.00 0.00 34.50 30.24 2k8d s PRO 9 CO -0.07 -2.02 1.75 0.42 0.04 0.00 0.00 177.00 177.11 2k8d s ILE 10 N 6.87 4.04 -1.00 0.56 -1.09 0.85 -4.61 121.20 126.82 2k8d s ILE 10 Ca 0.66 -1.72 -0.21 0.00 -2.23 0.00 0.00 60.65 57.14 2k8d s ILE 10 Cb -0.15 -5.11 0.08 0.00 -1.58 0.00 0.00 42.46 35.70 2k8d s ILE 10 CO 0.28 -1.89 1.34 0.12 -1.23 0.00 0.00 174.94 173.56 2k8d s PHE 11 N 5.12 2.77 -1.11 3.97 2.19 -1.26 -1.41 117.98 128.26 2k8d s PHE 11 Ca 0.55 -1.09 -0.23 0.00 0.33 0.00 0.00 56.93 56.50 2k8d s PHE 11 Cb 0.03 -4.54 -0.05 0.00 -1.31 0.00 0.00 43.02 37.15 2k8d s PHE 11 CO 0.07 -1.76 1.89 -1.12 1.83 0.00 0.00 175.22 176.13 2k8d s SER 12 N 4.43 5.33 0.36 6.13 0.01 -1.10 -4.79 113.70 124.06 2k8d s SER 12 Ca 0.41 -1.45 0.07 0.00 1.31 0.00 0.00 55.95 56.29 2k8d s SER 12 Cb -0.02 -2.58 0.76 0.00 0.21 0.00 0.00 66.02 64.39 2k8d s SER 12 CO -0.09 -2.70 1.93 1.62 0.41 0.00 0.00 173.24 174.41 2k8d h VAL 13 N 6.46 0.96 0.00 3.43 3.04 -1.85 -0.39 116.25 127.91 2k8d h VAL 13 Ca 0.21 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2k8d h VAL 13 Cb 0.95 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2k8d h VAL 13 CO 1.26 0.14 0.00 0.00 -1.01 0.00 0.00 177.57 177.95 2k8d h ALA 14 N 1.60 1.00 0.00 3.17 0.00 -1.95 -0.48 119.26 122.60 2k8d h ALA 14 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2k8d h ALA 14 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k8d h ALA 14 CO -0.14 0.00 -0.06 1.63 0.00 0.00 0.00 179.25 180.69 2k8d n LYS 15 N -2.74 1.41 -3.72 0.00 5.02 -0.39 -5.02 118.16 112.71 2k8d n LYS 15 Ca -0.02 -1.24 -0.15 0.00 -2.02 0.00 0.00 58.31 54.88 2k8d n LYS 15 Cb 0.07 -0.84 -0.00 0.00 -0.02 0.00 0.00 35.03 34.24 2k8d n LYS 15 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k8d n ASN 16 N -0.40 -1.05 -4.86 4.39 5.15 -0.19 -4.97 115.26 113.34 2k8d n ASN 16 Ca 0.02 -0.43 -0.21 0.00 -0.60 0.00 0.00 54.58 53.36 2k8d n ASN 16 Cb 0.44 -0.51 0.07 0.00 -0.53 0.00 0.00 39.78 39.25 2k8d n ASN 16 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2k8d s ARG 17 N -5.58 2.14 -0.17 1.20 0.52 -0.45 -4.94 118.95 111.67 2k8d s ARG 17 Ca 0.13 -1.14 -0.06 0.00 -0.52 0.00 0.00 55.73 54.14 2k8d s ARG 17 Cb -0.08 -2.48 0.08 0.00 0.52 0.00 0.00 34.95 33.00 2k8d s ARG 17 CO 0.32 -1.03 0.35 0.54 0.02 0.00 0.00 175.30 175.50 2k8d s VAL 18 N -2.87 -0.50 -0.30 3.52 0.11 -1.26 -2.72 120.40 116.38 2k8d s VAL 18 Ca 0.62 0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 59.84 2k8d s VAL 18 Cb -0.07 -0.56 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2k8d s VAL 18 CO 0.41 0.09 0.03 -1.61 -3.33 0.00 0.00 175.10 170.68 2k8d s GLU 19 N 2.41 2.65 -0.56 1.54 0.41 -0.50 -4.92 118.70 119.74 2k8d s GLU 19 Ca -0.01 -1.13 -0.28 0.00 -0.41 0.00 0.00 54.97 53.13 2k8d s GLU 19 Cb -0.12 -3.25 0.02 0.00 -1.78 0.00 0.00 34.13 29.00 2k8d s GLU 19 CO -0.11 -0.57 1.34 1.41 -0.49 0.00 0.00 175.26 176.84 2k8d s MET 20 N 1.34 3.39 0.66 1.61 1.75 -1.26 -0.10 119.30 126.70 2k8d s MET 20 Ca -0.02 0.43 0.04 0.00 -1.25 0.00 0.00 55.69 54.89 2k8d s MET 20 Cb -0.19 -4.08 0.12 0.00 2.84 0.00 0.00 34.83 33.52 2k8d s MET 20 CO -0.00 -1.82 0.91 0.08 -0.65 0.00 0.00 175.02 173.54 2k8d s VAL 21 N 5.65 2.08 0.28 10.11 1.01 -0.33 -4.91 120.40 134.29 2k8d s VAL 21 Ca 0.50 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2k8d s VAL 21 Cb -0.10 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 2k8d s VAL 21 CO 0.26 0.00 0.05 -1.83 0.00 0.00 0.00 175.10 173.58 2k8d s GLU 22 N -4.93 1.49 0.37 2.72 -1.05 -1.26 -0.66 118.70 115.38 2k8d s GLU 22 Ca 0.65 -1.80 -0.28 0.00 -0.15 0.00 0.00 54.97 53.38 2k8d s GLU 22 Cb -0.05 -0.60 -0.11 0.00 -0.44 0.00 0.00 34.13 32.92 2k8d s GLU 22 CO 0.42 -0.20 1.50 -2.13 0.95 0.00 0.00 175.26 175.81 2k8d n ARG 23 N -0.54 2.70 -2.32 -4.83 0.00 -0.90 -4.86 116.66 105.90 2k8d n ARG 23 Ca -0.02 0.95 -0.43 0.00 -0.00 0.00 0.00 57.85 58.35 2k8d n ARG 23 Cb 0.66 -2.69 -0.02 0.00 0.00 0.00 0.00 32.46 30.41 2k8d n ARG 23 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2k8d s ILE 24 N -1.03 4.00 -0.30 5.15 2.07 -1.24 -4.96 121.20 124.89 2k8d s ILE 24 Ca 0.54 1.14 -0.03 0.00 -1.41 0.00 0.00 60.65 60.88 2k8d s ILE 24 Cb -0.47 -3.99 0.10 0.00 0.13 0.00 0.00 42.46 38.22 2k8d s ILE 24 CO 0.63 -0.39 0.13 -0.70 -1.91 0.00 0.00 174.94 172.70 2k8d s GLU 25 N 4.28 0.27 0.37 3.50 2.56 -1.26 -4.97 118.70 123.45 2k8d s GLU 25 Ca 0.61 -0.64 0.04 0.00 0.00 0.00 0.00 54.97 54.99 2k8d s GLU 25 Cb -0.20 -1.27 -0.03 0.00 2.00 0.00 0.00 34.13 34.63 2k8d s GLU 25 CO 0.25 -1.03 0.17 -0.51 -0.56 0.00 0.00 175.26 173.58 2k8d s LEU 26 N 1.99 1.87 0.91 2.70 1.43 -1.26 -5.17 118.68 121.15 2k8d s LEU 26 Ca 0.10 -1.67 -0.11 0.00 -1.03 0.00 0.00 54.13 51.42 2k8d s LEU 26 Cb -0.16 0.10 0.20 0.00 0.03 0.00 0.00 46.19 46.35 2k8d s LEU 26 CO -0.34 -0.95 1.24 -0.55 0.23 0.00 0.00 176.35 175.98 2k8d s SER 27 N -3.50 3.30 0.36 2.29 0.15 -1.26 -4.96 113.70 110.07 2k8d s SER 27 Ca 0.30 -0.08 0.09 0.00 0.70 0.00 0.00 55.95 56.96 2k8d s SER 27 Cb 0.03 0.02 0.83 0.00 -1.71 0.00 0.00 66.02 65.19 2k8d s SER 27 CO 0.18 -2.59 1.87 -0.78 1.20 0.00 0.00 173.24 173.13 2k8d h ASP 28 N -1.36 0.64 0.00 5.45 3.58 -2.02 -3.31 116.42 119.41 2k8d h ASP 28 Ca -0.41 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2k8d h ASP 28 Cb 1.23 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2k8d h ASP 28 CO 0.34 0.33 0.00 0.47 -2.88 0.00 0.00 179.24 177.49 2k8d n ASP 29 N -4.55 0.10 0.00 2.28 8.00 -1.26 -1.71 116.55 119.41 2k8d n ASP 29 Ca 0.17 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.39 2k8d n ASP 29 Cb 0.46 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2k8d n ASP 29 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k8d n GLU 30 N 0.16 0.00 0.00 -1.24 -0.58 -1.24 -4.77 120.64 112.96 2k8d n GLU 30 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 2k8d n GLU 30 Cb 0.02 -0.33 0.05 0.00 -0.57 0.00 0.00 31.44 30.61 2k8d n GLU 30 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 2k8d n TRP 31 N -2.42 0.00 0.00 -0.32 7.02 -0.69 -0.30 117.44 120.73 2k8d n TRP 31 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2k8d n TRP 31 Cb 0.17 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 2k8d n TRP 31 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2k8d n ARG 32 N -0.72 5.14 0.00 -0.99 1.85 -1.26 -4.35 116.66 116.33 2k8d n ARG 32 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2k8d n ARG 32 Cb 0.01 -0.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.01 2k8d n ARG 32 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2k8d n GLU 33 N -0.78 2.23 -0.02 2.89 0.28 0.26 -4.68 120.64 120.81 2k8d n GLU 33 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 2k8d n GLU 33 Cb 0.00 -0.20 0.03 0.00 1.43 0.00 0.00 31.44 32.69 2k8d n GLU 33 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2k8d n ILE 34 N -0.29 1.13 -4.11 3.84 -5.35 0.59 -5.07 119.36 110.11 2k8d n ILE 34 Ca 0.00 -1.17 -0.25 0.00 -0.27 0.00 0.00 62.75 61.06 2k8d n ILE 34 Cb 0.00 0.40 -0.07 0.00 -1.74 0.00 0.00 39.64 38.23 2k8d n ILE 34 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k8d s LEU 35 N -1.26 3.08 0.44 7.28 1.43 -1.25 -4.98 118.68 123.41 2k8d s LEU 35 Ca 0.05 -1.09 -0.26 0.00 -1.03 0.00 0.00 54.13 51.81 2k8d s LEU 35 Cb 0.04 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.75 2k8d s LEU 35 CO 0.01 -0.59 1.44 -1.81 0.23 0.00 0.00 176.35 175.63 2k8d s ASP 36 N -3.94 5.92 0.00 2.29 1.11 -1.26 -4.90 116.67 115.90 2k8d s ASP 36 Ca 0.40 2.95 0.15 0.00 0.18 0.00 0.00 52.55 56.23 2k8d s ASP 36 Cb 0.03 -2.66 0.74 0.00 1.07 0.00 0.00 42.92 42.10 2k8d s ASP 36 CO 0.22 -1.15 1.46 -0.81 1.18 0.00 0.00 175.17 176.07 2k8d n PRO 37 N -0.11 0.14 0.01 8.23 -0.04 -1.26 -1.18 135.00 140.80 2k8d n PRO 37 Ca 0.05 0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 2k8d n PRO 37 Cb 0.41 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 2k8d n PRO 37 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k8d h GLU 38 N 0.00 0.22 -0.60 0.54 4.81 -2.00 -3.35 114.58 114.20 2k8d h GLU 38 Ca 0.00 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 58.82 2k8d h GLU 38 Cb 0.19 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2k8d h GLU 38 CO 0.00 1.18 0.23 0.00 -0.73 0.00 0.00 179.01 179.69 2k8d h ALA 39 N -0.02 0.78 -0.49 2.92 0.00 -1.49 0.12 119.26 121.08 2k8d h ALA 39 Ca -0.20 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.57 2k8d h ALA 39 Cb 1.58 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 2k8d h ALA 39 CO 0.07 0.40 0.26 0.35 0.00 0.00 0.00 179.25 180.34 2k8d h PHE 40 N 0.83 0.49 -0.02 0.00 3.57 -1.45 0.13 116.94 120.49 2k8d h PHE 40 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2k8d h PHE 40 Cb 0.22 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2k8d h PHE 40 CO 0.01 0.26 -0.02 0.07 -2.23 0.00 0.00 178.31 176.40 2k8d h ARG 41 N 0.52 0.04 -0.37 1.11 0.11 -1.66 -3.31 114.38 110.82 2k8d h ARG 41 Ca 0.21 -0.02 0.11 0.00 0.10 0.00 0.00 59.98 60.38 2k8d h ARG 41 Cb 0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 2k8d h ARG 41 CO -0.13 0.52 0.29 0.28 0.10 0.00 0.00 179.97 181.03 2k8d h VAL 42 N -0.44 0.72 0.00 0.08 2.07 0.06 0.25 116.25 118.99 2k8d h VAL 42 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2k8d h VAL 42 Cb 0.51 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2k8d h VAL 42 CO 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.50 2k8d h ALA 43 N 1.78 1.67 0.00 1.67 0.00 -0.86 -0.50 119.26 123.02 2k8d h ALA 43 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2k8d h ALA 43 Cb 0.75 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2k8d h ALA 43 CO -0.00 0.12 -2.08 2.89 0.00 0.00 0.00 179.25 180.18 2k8d n ARG 44 N -4.18 0.68 -0.09 0.00 1.85 0.84 -4.50 116.66 111.26 2k8d n ARG 44 Ca -0.03 -0.15 0.08 0.00 -1.00 0.00 0.00 57.85 56.75 2k8d n ARG 44 Cb 0.18 -1.51 0.12 0.00 -1.05 0.00 0.00 32.46 30.20 2k8d n ARG 44 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2k8d n LYS 45 N -2.37 1.75 -4.00 2.89 2.85 -0.94 -4.99 118.16 113.35 2k8d n LYS 45 Ca -0.11 -1.72 -0.26 0.00 -1.05 0.00 0.00 58.31 55.16 2k8d n LYS 45 Cb 0.71 -1.32 -0.03 0.00 -0.65 0.00 0.00 35.03 33.74 2k8d n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k8d n ALA 46 N 0.87 -1.97 0.00 0.58 0.00 -0.23 -3.25 120.51 116.50 2k8d n ALA 46 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k8d n ALA 46 Cb 0.42 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2k8d n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8d n GLY 47 N -2.01 2.08 3.59 0.00 0.00 -0.97 -4.74 105.19 103.14 2k8d n GLY 47 Ca -0.29 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2k8d n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s THR 48 N 0.00 3.77 0.41 2.61 2.01 -1.20 -4.78 115.64 118.46 2k8d s THR 48 Ca 0.00 0.72 -0.26 0.00 0.31 0.00 0.00 61.69 62.46 2k8d s THR 48 Cb 0.00 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 2k8d s THR 48 CO 0.00 -0.91 1.42 -1.61 -0.69 0.00 0.00 174.62 172.83 2k8d s GLU 49 N 5.40 3.90 0.92 4.92 2.02 -1.26 -4.94 118.70 129.66 2k8d s GLU 49 Ca 0.60 2.41 -0.11 0.00 0.02 0.00 0.00 54.97 57.88 2k8d s GLU 49 Cb -0.13 -2.79 0.14 0.00 0.10 0.00 0.00 34.13 31.45 2k8d s GLU 49 CO 0.29 -0.64 1.09 -1.25 0.02 0.00 0.00 175.26 174.77 2k8d s PRO 50 N -2.27 1.03 -0.90 0.39 0.04 -1.26 -4.88 135.00 127.16 2k8d s PRO 50 Ca 0.57 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 2k8d s PRO 50 Cb -0.43 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2k8d s PRO 50 CO 0.57 -2.46 1.88 -1.25 0.04 0.00 0.00 177.00 175.78 2k8d s PRO 51 N -4.80 2.68 -0.04 0.56 0.04 -1.26 -4.91 135.00 127.27 2k8d s PRO 51 Ca 0.65 -0.33 0.02 0.00 0.04 0.00 0.00 61.00 61.38 2k8d s PRO 51 Cb -0.20 -5.05 0.01 0.00 0.04 0.00 0.00 34.50 29.30 2k8d s PRO 51 CO 0.58 -3.20 -0.10 -0.06 0.04 0.00 0.00 177.00 174.26 2k8d s PHE 52 N 9.44 1.13 -0.24 0.56 0.40 -1.26 -5.07 117.98 122.95 2k8d s PHE 52 Ca 0.67 -0.34 -0.05 0.00 -0.60 0.00 0.00 56.93 56.61 2k8d s PHE 52 Cb -0.06 -0.83 -0.18 0.00 0.51 0.00 0.00 43.02 42.46 2k8d s PHE 52 CO -0.00 -0.17 2.78 2.41 0.70 0.00 0.00 175.22 180.94 2k8d n THR 53 N 3.54 2.44 -2.73 0.64 -1.04 -1.26 -4.32 114.28 111.55 2k8d n THR 53 Ca -0.21 -1.28 -0.07 0.00 -2.04 0.00 0.00 64.05 60.45 2k8d n THR 53 Cb 0.53 -1.96 0.06 0.00 -1.82 0.00 0.00 70.33 67.13 2k8d n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k8d n GLY 54 N 2.83 -0.30 3.41 3.41 0.00 -1.26 -5.15 105.19 108.13 2k8d n GLY 54 Ca 0.37 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.60 2k8d n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s LYS 55 N 0.58 1.22 0.19 1.61 -2.85 -1.26 -5.19 119.74 114.04 2k8d s LYS 55 Ca 0.31 -0.85 -0.23 0.00 -1.00 0.00 0.00 55.97 54.19 2k8d s LYS 55 Cb 0.23 0.48 0.05 0.00 -2.06 0.00 0.00 37.83 36.52 2k8d s LYS 55 CO -0.21 -0.49 0.79 1.52 0.10 0.00 0.00 175.35 177.06 2k8d s TYR 56 N -3.86 -0.24 0.35 1.78 -0.85 -1.26 -5.19 117.35 108.08 2k8d s TYR 56 Ca 0.08 -0.09 -0.07 0.00 -0.52 0.00 0.00 57.07 56.47 2k8d s TYR 56 Cb 0.01 0.65 0.02 0.00 0.38 0.00 0.00 41.96 43.01 2k8d s TYR 56 CO -0.06 -0.97 0.57 -1.58 -1.52 0.00 0.00 175.55 171.98 2k8d s HIS 57 N -3.61 0.75 0.05 -3.49 2.46 -1.26 -5.18 115.29 105.01 2k8d s HIS 57 Ca 0.09 -1.12 -0.00 0.00 0.47 0.00 0.00 55.06 54.50 2k8d s HIS 57 Cb -0.03 0.20 -0.04 0.00 -0.13 0.00 0.00 32.58 32.58 2k8d s HIS 57 CO 0.01 -1.26 -0.04 0.34 -2.47 0.00 0.00 174.74 171.32 2k8d s ASP 58 N -3.18 0.55 -0.23 9.88 -1.08 -1.26 -5.14 116.67 116.21 2k8d s ASP 58 Ca 0.26 -0.94 -0.07 0.00 -0.52 0.00 0.00 52.55 51.28 2k8d s ASP 58 Cb -0.02 0.17 0.11 0.00 -1.46 0.00 0.00 42.92 41.73 2k8d s ASP 58 CO 0.17 -0.54 0.48 -0.22 0.52 0.00 0.00 175.17 175.58 2k8d s LEU 59 N -2.76 -0.81 0.24 -1.34 0.20 -1.26 -4.68 118.68 108.27 2k8d s LEU 59 Ca 0.05 1.05 0.02 0.00 0.69 0.00 0.00 54.13 55.94 2k8d s LEU 59 Cb 0.05 1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 47.37 2k8d s LEU 59 CO -0.08 -0.24 0.04 -1.00 -0.29 0.00 0.00 176.35 174.78 2k8d s HIS 60 N 2.69 1.51 -0.54 5.38 3.76 -1.26 -5.04 115.29 121.80 2k8d s HIS 60 Ca 0.00 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 2k8d s HIS 60 Cb -0.13 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.67 2k8d s HIS 60 CO -0.15 -0.19 0.63 -0.25 -0.85 0.00 0.00 174.74 173.94 2k8d n ASP 61 N -0.42 1.66 -3.78 1.40 9.92 -1.26 -4.49 116.55 119.58 2k8d n ASP 61 Ca -0.03 -1.73 -0.13 0.00 -0.53 0.00 0.00 54.79 52.37 2k8d n ASP 61 Cb 0.65 -0.43 -0.13 0.00 -0.64 0.00 0.00 41.12 40.57 2k8d n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k8d s ASP 62 N 0.39 -0.18 0.00 -2.24 2.15 -1.26 -5.13 116.67 110.40 2k8d s ASP 62 Ca 0.00 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.36 2k8d s ASP 62 Cb 0.00 0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 2k8d s ASP 62 CO 0.00 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 2k8d n GLY 63 N 3.51 0.39 3.27 2.66 0.00 -1.26 -4.86 105.19 108.90 2k8d n GLY 63 Ca -0.18 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 2k8d n GLY 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k8d s ILE 64 N -1.60 0.55 -0.08 -0.61 -4.36 0.19 -3.48 121.20 111.80 2k8d s ILE 64 Ca 0.00 -1.99 -0.26 0.00 -0.26 0.00 0.00 60.65 58.14 2k8d s ILE 64 Cb 0.00 -2.39 -0.03 0.00 1.25 0.00 0.00 42.46 41.29 2k8d s ILE 64 CO 0.00 -0.21 0.82 -0.31 0.24 0.00 0.00 174.94 175.48 2k8d s TYR 65 N -3.75 3.54 -0.06 1.37 2.02 0.84 -0.82 117.35 120.49 2k8d s TYR 65 Ca 0.32 1.37 -0.23 0.00 -0.37 0.00 0.00 57.07 58.16 2k8d s TYR 65 Cb 0.07 -2.96 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 2k8d s TYR 65 CO 0.09 -0.05 0.67 0.50 -1.57 0.00 0.00 175.55 175.19 2k8d s ARG 66 N 1.32 4.42 -0.66 -0.62 3.52 0.77 -1.14 118.95 126.56 2k8d s ARG 66 Ca 0.42 0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 56.58 2k8d s ARG 66 Cb -0.18 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 2k8d s ARG 66 CO 0.19 0.13 1.54 0.00 -0.81 0.00 0.00 175.30 176.35 2k8d h ILE 68 N 6.43 0.00 -0.06 0.00 2.10 -1.11 -0.14 117.51 124.73 2k8d h ILE 68 Ca -0.27 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.40 2k8d h ILE 68 Cb 1.10 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 2k8d h ILE 68 CO 1.24 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.31 2k8d n GLY 71 N 0.00 -0.43 3.34 0.00 0.00 -0.10 -5.04 105.19 102.95 2k8d n GLY 71 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2k8d n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s THR 72 N -3.29 0.05 0.36 2.61 2.01 -1.09 -5.01 115.64 111.28 2k8d s THR 72 Ca 0.18 -0.41 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 2k8d s THR 72 Cb -0.02 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 2k8d s THR 72 CO 0.56 -0.22 0.75 1.51 -0.69 0.00 0.00 174.62 176.53 2k8d s ASP 73 N -1.95 6.65 0.00 3.53 -4.77 -1.26 0.10 116.67 118.97 2k8d s ASP 73 Ca -0.06 1.21 0.00 0.00 -3.30 0.00 0.00 52.55 50.41 2k8d s ASP 73 Cb -0.01 -2.35 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 2k8d s ASP 73 CO -0.02 -0.30 0.00 0.00 0.70 0.00 0.00 175.17 175.56 2k8d n LEU 74 N -0.80 0.00 -4.76 2.11 -0.00 -0.30 -4.82 117.00 108.43 2k8d n LEU 74 Ca 0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.63 2k8d n LEU 74 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 2k8d n LEU 74 CO 0.44 0.00 1.02 -0.36 -0.00 0.00 0.00 177.39 178.49 2k8d s PHE 75 N 1.18 3.03 0.12 1.47 0.08 -1.25 -4.72 117.98 117.88 2k8d s PHE 75 Ca 0.00 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.34 2k8d s PHE 75 Cb 0.00 -3.73 -0.04 0.00 -0.57 0.00 0.00 43.02 38.68 2k8d s PHE 75 CO 0.00 -2.14 0.28 0.34 -0.10 0.00 0.00 175.22 173.60 2k8d s ASP 76 N -0.18 6.37 0.64 1.36 -1.08 -1.26 -0.12 116.67 122.40 2k8d s ASP 76 Ca 0.52 0.28 0.34 0.00 -0.52 0.00 0.00 52.55 53.18 2k8d s ASP 76 Cb -0.40 -1.96 1.90 0.00 -1.46 0.00 0.00 42.92 40.99 2k8d s ASP 76 CO 0.50 0.08 2.13 0.28 0.52 0.00 0.00 175.17 178.68 2k8d h SER 77 N 2.56 0.00 -0.48 -0.34 0.02 -1.91 0.48 113.55 113.86 2k8d h SER 77 Ca -0.47 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.62 2k8d h SER 77 Cb 1.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2k8d h SER 77 CO 0.72 0.00 0.36 1.05 -1.14 0.00 0.00 176.83 177.82 2k8d h GLU 78 N 0.00 0.00 -1.87 3.45 -0.00 -1.95 -0.70 114.58 113.52 2k8d h GLU 78 Ca 0.03 0.00 -0.58 0.00 -0.00 0.00 0.00 59.36 58.81 2k8d h GLU 78 Cb 0.40 0.00 -0.42 0.00 -0.00 0.00 0.00 28.75 28.73 2k8d h GLU 78 CO -0.00 0.00 -0.71 -2.37 -0.00 0.00 0.00 179.01 175.93 2k8d n THR 79 N -4.34 2.62 -4.09 -1.06 5.66 0.15 -5.01 114.28 108.21 2k8d n THR 79 Ca 0.09 -5.19 -0.08 0.00 -3.05 0.00 0.00 64.05 55.82 2k8d n THR 79 Cb 0.57 -1.27 -0.10 0.00 -1.55 0.00 0.00 70.33 67.98 2k8d n THR 79 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2k8d s LYS 80 N -3.48 0.77 -0.26 1.09 2.20 -0.27 -4.67 119.74 115.11 2k8d s LYS 80 Ca 0.48 -1.28 -0.08 0.00 -0.36 0.00 0.00 55.97 54.72 2k8d s LYS 80 Cb 0.35 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.87 2k8d s LYS 80 CO -0.16 -0.19 0.11 -0.06 -0.36 0.00 0.00 175.35 174.69 2k8d s PHE 81 N -3.97 3.13 0.16 4.03 0.40 -1.22 -4.93 117.98 115.59 2k8d s PHE 81 Ca 0.14 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 2k8d s PHE 81 Cb 0.07 -2.28 0.00 0.00 0.51 0.00 0.00 43.02 41.33 2k8d s PHE 81 CO -0.05 -0.29 0.00 -0.40 0.70 0.00 0.00 175.22 175.18 2k8d n ASP 82 N 4.93 -0.04 -4.24 1.36 5.68 -1.26 -3.43 116.55 119.54 2k8d n ASP 82 Ca -0.16 0.26 -0.29 0.00 -0.50 0.00 0.00 54.79 54.11 2k8d n ASP 82 Cb 0.52 0.20 0.23 0.00 -1.14 0.00 0.00 41.12 40.92 2k8d n ASP 82 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2k8d s SER 83 N -5.05 1.29 1.24 -1.12 0.15 -1.26 -3.44 113.70 105.50 2k8d s SER 83 Ca 0.00 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2k8d s SER 83 Cb 0.00 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2k8d s SER 83 CO 0.00 -3.94 0.00 0.61 1.20 0.00 0.00 173.24 171.11 2k8d n GLY 84 N -0.37 1.52 0.28 9.45 0.00 -1.26 -1.84 105.19 112.97 2k8d n GLY 84 Ca 0.08 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.52 2k8d n GLY 84 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k8d h THR 85 N 0.00 1.26 -1.01 2.61 2.02 -1.93 -3.47 112.91 112.39 2k8d h THR 85 Ca 0.00 -1.14 -0.28 0.00 0.77 0.00 0.00 66.41 65.76 2k8d h THR 85 Cb 0.00 0.96 -0.11 0.00 -1.74 0.00 0.00 68.15 67.26 2k8d h THR 85 CO 0.00 0.40 -0.26 0.61 0.37 0.00 0.00 175.52 176.64 2k8d n GLY 86 N -0.47 1.32 3.77 2.16 0.00 -0.77 -4.94 105.19 106.26 2k8d n GLY 86 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2k8d n GLY 86 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k8d s TRP 87 N -2.14 2.60 -1.32 1.61 1.48 -1.22 -4.59 118.94 115.35 2k8d s TRP 87 Ca 0.00 1.54 -0.10 0.00 -1.06 0.00 0.00 56.10 56.48 2k8d s TRP 87 Cb 0.00 -3.30 -0.07 0.00 -1.16 0.00 0.00 33.47 28.94 2k8d s TRP 87 CO 0.00 -1.72 2.53 -0.35 -4.06 0.00 0.00 176.95 173.34 2k8d n PRO 88 N -1.60 2.93 -4.13 3.25 -0.04 -1.26 -4.33 135.00 129.83 2k8d n PRO 88 Ca 0.12 -2.00 -0.12 0.00 -0.04 0.00 0.00 63.50 61.46 2k8d n PRO 88 Cb 0.51 -2.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.09 2k8d n PRO 88 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k8d s SER 89 N 2.90 1.04 0.37 3.54 1.04 -1.26 -2.31 113.70 119.02 2k8d s SER 89 Ca 0.57 -0.82 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 2k8d s SER 89 Cb 0.15 0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.38 2k8d s SER 89 CO -0.04 -0.36 0.70 0.72 0.98 0.00 0.00 173.24 175.25 2k8d s PHE 90 N -2.69 0.35 -0.10 5.02 -0.12 0.02 -3.38 117.98 117.08 2k8d s PHE 90 Ca 0.03 -0.90 0.02 0.00 -0.05 0.00 0.00 56.93 56.03 2k8d s PHE 90 Cb -0.01 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 2k8d s PHE 90 CO -0.03 -1.44 0.09 2.48 -0.05 0.00 0.00 175.22 176.27 2k8d n TYR 91 N -0.54 0.00 -4.06 3.49 0.18 -1.26 -0.31 117.16 114.66 2k8d n TYR 91 Ca -0.06 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.59 2k8d n TYR 91 Cb 0.60 -0.01 -0.04 0.00 -0.38 0.00 0.00 39.34 39.51 2k8d n TYR 91 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2k8d s ASP 92 N -1.38 0.67 0.14 9.48 -1.08 -1.26 -4.29 116.67 118.95 2k8d s ASP 92 Ca 0.01 -1.38 0.06 0.00 -0.52 0.00 0.00 52.55 50.72 2k8d s ASP 92 Cb 0.02 0.65 -0.04 0.00 -1.46 0.00 0.00 42.92 42.09 2k8d s ASP 92 CO 0.10 -1.28 -0.13 0.68 0.52 0.00 0.00 175.17 175.05 2k8d s VAL 93 N -3.19 1.38 0.40 1.11 -7.23 -1.26 -4.87 120.40 106.73 2k8d s VAL 93 Ca 0.29 -1.87 0.07 0.00 -1.81 0.00 0.00 61.98 58.66 2k8d s VAL 93 Cb -0.00 -1.68 0.24 0.00 0.56 0.00 0.00 36.38 35.49 2k8d s VAL 93 CO 0.18 -0.51 2.02 1.62 -0.31 0.00 0.00 175.10 178.10 2k8d h VAL 94 N 3.22 1.13 0.00 1.32 3.04 -1.96 -3.48 116.25 119.52 2k8d h VAL 94 Ca -0.39 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2k8d h VAL 94 Cb 1.20 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2k8d h VAL 94 CO 0.55 0.14 0.00 -1.20 -1.01 0.00 0.00 177.57 176.05 2k8d n SER 95 N -4.43 0.00 -4.26 3.17 7.64 -1.26 -4.74 113.62 109.74 2k8d n SER 95 Ca 0.03 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.46 2k8d n SER 95 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2k8d n SER 95 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k8d n GLU 96 N -0.77 3.69 0.06 1.43 4.71 -1.26 -4.72 120.64 123.77 2k8d n GLU 96 Ca 0.00 -4.24 0.00 0.00 -0.01 0.00 0.00 57.16 52.91 2k8d n GLU 96 Cb 0.00 -2.70 0.00 0.00 -1.01 0.00 0.00 31.44 27.73 2k8d n GLU 96 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2k8d n HIS 97 N 3.27 -0.88 -0.39 -0.32 1.44 -1.26 -4.76 115.22 112.31 2k8d n HIS 97 Ca 0.29 0.16 0.07 0.00 -2.01 0.00 0.00 57.72 56.23 2k8d n HIS 97 Cb 0.39 0.38 0.32 0.00 0.12 0.00 0.00 29.99 31.19 2k8d n HIS 97 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2k8d n ASN 98 N -2.98 4.45 -3.84 4.39 5.15 -1.26 -4.63 115.26 116.54 2k8d n ASN 98 Ca 0.00 -2.54 -0.12 0.00 -0.60 0.00 0.00 54.58 51.32 2k8d n ASN 98 Cb 0.00 -0.58 -0.13 0.00 -0.53 0.00 0.00 39.78 38.54 2k8d n ASN 98 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2k8d s ILE 99 N -2.07 0.01 0.09 -1.44 -1.16 -1.26 -2.12 121.20 113.24 2k8d s ILE 99 Ca 0.44 -0.05 0.06 0.00 -0.51 0.00 0.00 60.65 60.59 2k8d s ILE 99 Cb 0.31 -0.17 -0.03 0.00 0.61 0.00 0.00 42.46 43.17 2k8d s ILE 99 CO 0.18 -0.03 -0.15 -0.75 -2.81 0.00 0.00 174.94 171.38 2k8d s LYS 100 N -0.04 0.94 0.03 3.50 2.47 0.12 -4.49 119.74 122.27 2k8d s LYS 100 Ca -0.01 -1.08 -0.09 0.00 -1.56 0.00 0.00 55.97 53.23 2k8d s LYS 100 Cb -0.01 -0.95 0.00 0.00 -1.46 0.00 0.00 37.83 35.40 2k8d s LYS 100 CO 0.00 0.21 0.17 -0.51 0.16 0.00 0.00 175.35 175.38 2k8d s LEU 101 N -1.99 1.45 -0.06 5.43 1.02 -1.26 -1.08 118.68 122.19 2k8d s LEU 101 Ca 0.03 -0.37 -0.01 0.00 0.02 0.00 0.00 54.13 53.80 2k8d s LEU 101 Cb -0.08 0.87 0.03 0.00 0.02 0.00 0.00 46.19 47.03 2k8d s LEU 101 CO 0.03 -0.53 0.01 -0.13 0.02 0.00 0.00 176.35 175.75 2k8d s ARG 102 N -2.41 0.46 0.01 1.70 1.81 -1.24 -4.92 118.95 114.36 2k8d s ARG 102 Ca -0.06 0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 53.78 2k8d s ARG 102 Cb -0.02 -0.82 -0.06 0.00 -0.45 0.00 0.00 34.95 33.61 2k8d s ARG 102 CO -0.03 -0.27 1.37 -2.00 -0.68 0.00 0.00 175.30 173.69 2k8d s GLU 103 N 1.81 4.30 0.41 3.54 2.12 -1.26 -1.08 118.70 128.55 2k8d s GLU 103 Ca 0.02 1.95 0.03 0.00 0.36 0.00 0.00 54.97 57.33 2k8d s GLU 103 Cb -0.12 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 2k8d s GLU 103 CO -0.04 -0.53 0.10 0.34 -0.54 0.00 0.00 175.26 174.59 2k8d s ASP 104 N 1.72 2.92 -0.08 -1.70 2.15 0.15 -4.95 116.67 116.88 2k8d s ASP 104 Ca 0.63 -1.63 0.15 0.00 0.43 0.00 0.00 52.55 52.12 2k8d s ASP 104 Cb -0.31 0.43 0.48 0.00 -0.30 0.00 0.00 42.92 43.21 2k8d s ASP 104 CO 0.27 -0.88 1.40 -2.11 -0.17 0.00 0.00 175.17 173.68 2k8d n ARG 105 N -0.93 3.09 -0.33 4.34 0.00 -1.26 -0.15 116.66 121.42 2k8d n ARG 105 Ca -0.07 -2.51 0.19 0.00 -0.00 0.00 0.00 57.85 55.46 2k8d n ARG 105 Cb 0.65 -1.60 0.40 0.00 -0.00 0.00 0.00 32.46 31.92 2k8d n ARG 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2k8d h SER 106 N 2.47 0.55 0.75 2.89 0.87 -1.84 0.27 113.55 119.50 2k8d h SER 106 Ca 0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2k8d h SER 106 Cb 1.13 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2k8d h SER 106 CO 0.12 -0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.42 2k8d n LEU 107 N -4.98 0.19 0.00 2.23 -0.00 -1.26 -4.84 117.00 108.34 2k8d n LEU 107 Ca 0.28 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.82 2k8d n LEU 107 Cb 0.82 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 2k8d n LEU 107 CO 0.13 -0.24 0.00 0.61 -0.00 0.00 0.00 177.39 177.89 2k8d n GLY 108 N 0.49 1.00 0.00 1.47 0.00 0.89 -5.00 105.19 104.03 2k8d n GLY 108 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2k8d n GLY 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k8d n MET 109 N -0.49 0.00 -3.53 1.61 2.81 -0.89 -5.07 117.12 111.56 2k8d n MET 109 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.70 2k8d n MET 109 Cb 0.00 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.37 2k8d n MET 109 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2k8d s VAL 110 N 0.00 -0.30 -0.25 2.03 1.01 -1.26 -4.31 120.40 117.32 2k8d s VAL 110 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 2k8d s VAL 110 Cb 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 36.38 35.84 2k8d s VAL 110 CO 0.00 -0.16 0.02 -0.60 0.00 0.00 0.00 175.10 174.36 2k8d s ARG 111 N 2.31 1.08 -0.06 2.72 3.52 0.79 -2.96 118.95 126.36 2k8d s ARG 111 Ca 0.06 -0.91 -0.01 0.00 -0.13 0.00 0.00 55.73 54.73 2k8d s ARG 111 Cb -0.15 -2.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.87 2k8d s ARG 111 CO -0.11 -0.74 0.02 0.00 -0.81 0.00 0.00 175.30 173.66 2k8d s GLU 113 N -1.18 1.78 -0.25 0.00 -1.05 -0.24 -0.27 118.70 117.49 2k8d s GLU 113 Ca 0.16 1.19 -0.04 0.00 -0.15 0.00 0.00 54.97 56.13 2k8d s GLU 113 Cb -0.12 -1.84 0.09 0.00 -0.44 0.00 0.00 34.13 31.83 2k8d s GLU 113 CO 0.06 -1.98 0.15 0.08 0.95 0.00 0.00 175.26 174.52 2k8d s VAL 114 N -2.85 -0.15 0.23 1.83 1.01 -0.39 -3.66 120.40 116.42 2k8d s VAL 114 Ca 0.63 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.21 2k8d s VAL 114 Cb -0.19 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 2k8d s VAL 114 CO 0.57 -0.50 -0.12 -0.76 0.00 0.00 0.00 175.10 174.28 2k8d s LEU 115 N 2.18 2.53 -0.54 3.92 1.02 -0.24 -1.84 118.68 125.71 2k8d s LEU 115 Ca 0.07 -1.07 -0.28 0.00 0.02 0.00 0.00 54.13 52.87 2k8d s LEU 115 Cb -0.16 -0.67 0.02 0.00 0.02 0.00 0.00 46.19 45.40 2k8d s LEU 115 CO -0.26 -0.21 1.31 0.00 0.02 0.00 0.00 176.35 177.22 2k8d h ALA 117 N 10.31 2.04 0.18 0.00 0.00 -1.65 -0.01 119.26 130.13 2k8d h ALA 117 Ca -0.26 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 2k8d h ALA 117 Cb 1.08 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.91 2k8d h ALA 117 CO 1.16 -0.63 -1.40 -0.09 0.00 0.00 0.00 179.25 178.29 2k8d h ARG 118 N 0.00 0.39 -0.62 0.00 9.65 -1.87 -3.34 114.38 118.58 2k8d h ARG 118 Ca 0.17 -0.66 -0.32 0.00 -1.10 0.00 0.00 59.98 58.07 2k8d h ARG 118 Cb 1.06 0.25 -0.22 0.00 -1.39 0.00 0.00 29.97 29.66 2k8d h ARG 118 CO -0.00 1.31 -0.68 0.00 2.80 0.00 0.00 179.97 183.39 2k8d n ASP 120 N 1.56 4.55 -2.54 0.00 9.92 -0.80 -4.41 116.55 124.84 2k8d n ASP 120 Ca 0.13 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 52.12 2k8d n ASP 120 Cb 0.60 -1.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 2k8d n ASP 120 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k8d n ALA 121 N 3.90 0.00 0.12 2.24 0.00 -1.26 -4.92 120.51 120.60 2k8d n ALA 121 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 2k8d n ALA 121 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 2k8d n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2k8d h HIS 122 N 0.00 -0.32 0.00 0.00 2.76 -1.96 -3.47 115.15 112.17 2k8d h HIS 122 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2k8d h HIS 122 Cb 0.00 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2k8d h HIS 122 CO 0.00 -0.20 0.00 1.28 -1.30 0.00 0.00 177.93 177.71 2k8d n LEU 123 N -3.65 0.00 0.00 0.26 7.99 -1.26 -4.88 117.00 115.46 2k8d n LEU 123 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2k8d n LEU 123 Cb 0.14 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 2k8d n LEU 123 CO 0.10 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.59 2k8d n GLY 124 N 0.00 -0.35 3.76 -0.72 0.00 -0.77 -0.16 105.19 106.95 2k8d n GLY 124 Ca 0.00 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.53 2k8d n GLY 124 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k8d s HIS 125 N 2.92 0.23 0.04 1.61 -3.43 -0.37 -1.26 115.29 115.04 2k8d s HIS 125 Ca 0.00 -0.81 0.07 0.00 -0.80 0.00 0.00 55.06 53.52 2k8d s HIS 125 Cb 0.00 0.67 -0.03 0.00 -1.43 0.00 0.00 32.58 31.80 2k8d s HIS 125 CO 0.00 -1.46 -0.21 0.54 -2.00 0.00 0.00 174.74 171.61 2k8d s VAL 126 N -2.64 1.67 0.01 -5.38 0.11 0.63 -0.33 120.40 114.46 2k8d s VAL 126 Ca 0.17 -1.21 -0.00 0.00 -2.93 0.00 0.00 61.98 58.01 2k8d s VAL 126 Cb -0.04 -1.45 -0.01 0.00 -1.53 0.00 0.00 36.38 33.34 2k8d s VAL 126 CO 0.12 0.20 -0.01 0.72 -3.33 0.00 0.00 175.10 172.80 2k8d s PHE 127 N -0.81 0.12 -0.11 1.54 -0.71 -0.80 -1.13 117.98 116.07 2k8d s PHE 127 Ca 0.07 -0.24 -0.29 0.00 -1.04 0.00 0.00 56.93 55.43 2k8d s PHE 127 Cb -0.09 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.61 2k8d s PHE 127 CO 0.02 -0.09 1.35 -0.51 -1.34 0.00 0.00 175.22 174.65 2k8d s ASP 128 N -0.68 6.89 0.00 1.98 1.01 -1.15 0.13 116.67 124.85 2k8d s ASP 128 Ca -0.07 1.86 0.00 0.00 0.71 0.00 0.00 52.55 55.05 2k8d s ASP 128 Cb -0.05 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2k8d s ASP 128 CO -0.00 -0.77 0.00 -0.67 0.21 0.00 0.00 175.17 173.93 2k8d n ASP 129 N 6.43 0.00 -4.10 0.27 2.03 0.64 -4.92 116.55 116.91 2k8d n ASP 129 Ca 0.14 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.25 2k8d n ASP 129 Cb 0.44 0.07 0.11 0.00 -0.72 0.00 0.00 41.12 41.03 2k8d n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k8d n GLY 130 N 0.69 0.34 3.76 0.27 0.00 0.88 -5.03 105.19 106.10 2k8d n GLY 130 Ca 0.00 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 2k8d n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k8d s PRO 131 N -4.84 2.69 0.65 1.61 0.04 -1.26 -4.32 135.00 129.56 2k8d s PRO 131 Ca 0.58 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 2k8d s PRO 131 Cb -0.03 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 2k8d s PRO 131 CO 0.39 -1.34 1.13 -0.98 0.04 0.00 0.00 177.00 176.23 2k8d s ARG 132 N -4.12 2.82 0.12 4.56 3.03 -1.26 -1.65 118.95 122.44 2k8d s ARG 132 Ca 0.67 1.47 -0.06 0.00 2.03 0.00 0.00 55.73 59.84 2k8d s ARG 132 Cb -0.21 -1.95 -0.13 0.00 -1.03 0.00 0.00 34.95 31.63 2k8d s ARG 132 CO 0.43 -1.25 1.27 -1.00 -1.13 0.00 0.00 175.30 173.62 2k8d h PRO 133 N 0.19 0.47 -3.04 3.89 0.13 -2.02 -3.45 132.00 128.16 2k8d h PRO 133 Ca -0.47 -0.51 -0.55 0.00 -0.87 0.00 0.00 66.00 63.59 2k8d h PRO 133 Cb 1.25 0.15 0.02 0.00 0.13 0.00 0.00 31.00 32.55 2k8d h PRO 133 CO 0.54 1.16 3.21 0.25 -0.23 0.00 0.00 178.00 182.92 2k8d n THR 134 N -3.76 3.70 1.25 1.56 -2.24 -1.20 -4.56 114.28 109.02 2k8d n THR 134 Ca -0.08 -2.18 0.13 0.00 -2.27 0.00 0.00 64.05 59.65 2k8d n THR 134 Cb 0.85 -2.44 0.43 0.00 -2.10 0.00 0.00 70.33 67.08 2k8d n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k8d n GLY 135 N 3.55 -0.82 3.39 3.38 0.00 -0.66 -4.50 105.19 109.53 2k8d n GLY 135 Ca 0.67 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.89 2k8d n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s LYS 136 N -2.58 3.02 -0.90 1.61 0.00 -1.26 -0.09 119.74 119.54 2k8d s LYS 136 Ca 0.23 -1.28 -0.25 0.00 0.00 0.00 0.00 55.97 54.68 2k8d s LYS 136 Cb 0.19 -4.15 0.04 0.00 0.00 0.00 0.00 37.83 33.91 2k8d s LYS 136 CO 0.53 -1.14 1.40 0.50 0.00 0.00 0.00 175.35 176.64 2k8d s ARG 137 N 1.94 3.40 0.19 1.78 3.52 0.12 -4.07 118.95 125.83 2k8d s ARG 137 Ca 0.07 -0.73 -0.32 0.00 -0.13 0.00 0.00 55.73 54.62 2k8d s ARG 137 Cb -0.24 -4.88 -0.11 0.00 -1.56 0.00 0.00 34.95 28.17 2k8d s ARG 137 CO 0.07 -2.22 1.64 0.71 -0.81 0.00 0.00 175.30 174.69 2k8d s TYR 138 N 5.44 2.98 -0.07 5.12 1.51 0.57 -1.91 117.35 130.99 2k8d s TYR 138 Ca 0.43 0.52 -0.03 0.00 -1.01 0.00 0.00 57.07 56.97 2k8d s TYR 138 Cb -0.03 -4.03 0.04 0.00 -0.11 0.00 0.00 41.96 37.83 2k8d s TYR 138 CO 0.00 -3.81 0.16 0.00 -1.11 0.00 0.00 175.55 170.80 2k8d s MET 140 N 1.17 0.15 -0.13 0.00 0.23 -0.98 -1.24 119.30 118.50 2k8d s MET 140 Ca -0.09 0.08 0.17 0.00 -1.03 0.00 0.00 55.69 54.82 2k8d s MET 140 Cb -0.11 0.07 0.70 0.00 -1.53 0.00 0.00 34.83 33.95 2k8d s MET 140 CO -0.06 -0.02 1.61 -1.71 -2.03 0.00 0.00 175.02 172.81 2k8d n ASN 141 N 2.88 4.72 -4.61 -1.18 4.05 0.78 -4.75 115.26 117.14 2k8d n ASN 141 Ca -0.13 -2.52 -0.43 0.00 0.45 0.00 0.00 54.58 51.94 2k8d n ASN 141 Cb 0.59 -0.57 -0.03 0.00 1.23 0.00 0.00 39.78 41.00 2k8d n ASN 141 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2k8d s SER 142 N -0.99 5.96 0.60 1.20 1.04 -1.25 -4.79 113.70 115.46 2k8d s SER 142 Ca 0.49 1.63 0.29 0.00 0.48 0.00 0.00 55.95 58.85 2k8d s SER 142 Cb 0.33 -2.52 1.58 0.00 0.10 0.00 0.00 66.02 65.51 2k8d s SER 142 CO 0.22 -1.60 1.99 0.00 0.98 0.00 0.00 173.24 174.82 2k8d h ALA 143 N 12.66 1.89 0.00 5.32 0.00 -1.93 -3.26 119.26 133.94 2k8d h ALA 143 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2k8d h ALA 143 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k8d h ALA 143 CO 1.00 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.76 2k8d n ALA 144 N -2.27 2.06 -2.84 0.00 0.00 -1.26 -4.68 120.51 111.52 2k8d n ALA 144 Ca 0.04 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 2k8d n ALA 144 Cb 0.49 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 2k8d n ALA 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k8d s LEU 145 N -1.77 4.71 -0.13 0.00 1.43 -1.23 -0.58 118.68 121.10 2k8d s LEU 145 Ca 0.18 -2.19 -0.23 0.00 -1.03 0.00 0.00 54.13 50.86 2k8d s LEU 145 Cb 0.08 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2k8d s LEU 145 CO 0.14 -1.07 0.70 -0.75 0.23 0.00 0.00 176.35 175.60 2k8d s LYS 146 N 2.93 4.33 0.20 1.70 2.20 -0.31 -4.93 119.74 125.86 2k8d s LYS 146 Ca 0.39 0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 56.52 2k8d s LYS 146 Cb -0.03 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.69 2k8d s LYS 146 CO -0.06 -0.12 1.26 -0.06 -0.36 0.00 0.00 175.35 176.00 2k8d s PHE 147 N 1.46 3.32 0.14 4.03 0.08 -1.26 -0.16 117.98 125.60 2k8d s PHE 147 Ca 0.35 1.33 0.01 0.00 0.12 0.00 0.00 56.93 58.74 2k8d s PHE 147 Cb -0.17 -3.53 -0.04 0.00 -0.57 0.00 0.00 43.02 38.71 2k8d s PHE 147 CO 0.14 -1.56 0.00 0.96 -0.10 0.00 0.00 175.22 174.66 2k8d s ILE 148 N -0.08 0.53 1.15 0.64 -4.36 0.00 -4.85 121.20 114.23 2k8d s ILE 148 Ca 0.54 -1.95 -0.13 0.00 -0.26 0.00 0.00 60.65 58.86 2k8d s ILE 148 Cb -0.35 -1.99 0.28 0.00 1.25 0.00 0.00 42.46 41.64 2k8d s ILE 148 CO 0.39 -0.57 1.04 -2.16 0.24 0.00 0.00 174.94 173.87 2k8d s PRO 149 N -3.93 -0.81 0.00 0.37 0.04 -1.26 -0.64 135.00 128.77 2k8d s PRO 149 Ca 0.21 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.17 2k8d s PRO 149 Cb 0.06 -1.56 0.22 0.00 0.04 0.00 0.00 34.50 33.26 2k8d s PRO 149 CO 0.01 -3.66 0.92 0.54 0.04 0.00 0.00 177.00 174.85 2k8d n ARG 150 N -4.88 0.07 0.00 4.56 5.12 -1.26 -4.38 116.66 115.89 2k8d n ARG 150 Ca 0.04 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 2k8d n ARG 150 Cb 0.54 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 2k8d n ARG 150 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2k8d n ASP 151 N -1.24 0.00 0.00 0.55 5.75 -1.26 -4.91 116.55 115.44 2k8d n ASP 151 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 2k8d n ASP 151 Cb 0.03 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2k8d n ASP 151 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k8d n GLN 152 N 0.00 0.00 0.14 0.11 -0.00 -1.26 -4.89 117.38 111.48 2k8d n GLN 152 Ca 0.00 -0.07 0.11 0.00 -0.00 0.00 0.00 57.00 57.04 2k8d n GLN 152 Cb 0.00 -0.08 0.52 0.00 -0.00 0.00 0.00 30.24 30.68 2k8d n GLN 152 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2k8d n ILE 153 N 0.00 0.95 -0.92 -0.39 -6.64 -1.26 -5.15 119.36 105.95 2k8d n ILE 153 Ca 0.00 0.45 0.00 0.00 -1.77 0.00 0.00 62.75 61.43 2k8d n ILE 153 Cb 0.46 -1.41 0.00 0.00 -1.44 0.00 0.00 39.64 37.25 2k8d n ILE 153 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39