#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4a s LYS 2 N 0.00 0.78 -0.11 3.49 0.00 -1.26 -4.70 119.74 117.93 2k4a s LYS 2 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 55.97 55.80 2k4a s LYS 2 Cb 0.00 -0.03 0.29 0.00 0.00 0.00 0.00 37.83 38.09 2k4a s LYS 2 CO 0.00 -1.18 1.19 -0.11 0.00 0.00 0.00 175.35 175.24 2k4a n LEU 3 N 4.44 2.64 0.00 2.77 7.94 0.76 -4.57 117.00 130.99 2k4a n LEU 3 Ca 0.11 -2.80 0.00 0.00 -1.11 0.00 0.00 56.01 52.21 2k4a n LEU 3 Cb 0.55 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.14 2k4a n LEU 3 CO 0.02 0.66 0.00 0.61 -1.11 0.00 0.00 177.39 177.57 2k4a n GLY 4 N -0.93 0.73 3.16 -3.96 0.00 -1.17 -4.56 105.19 98.46 2k4a n GLY 4 Ca 0.14 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2k4a n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 5 N 0.00 0.62 -0.52 1.61 1.02 -1.09 0.18 119.74 121.57 2k4a s LYS 5 Ca 0.00 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.51 2k4a s LYS 5 Cb 0.00 0.26 0.17 0.00 -0.52 0.00 0.00 37.83 37.74 2k4a s LYS 5 CO 0.00 -0.17 0.40 -0.11 -0.92 0.00 0.00 175.35 174.55 2k4a n LEU 6 N 0.97 0.81 -4.63 3.17 0.00 0.27 0.24 117.00 117.81 2k4a n LEU 6 Ca -0.20 -4.68 -0.45 0.00 0.00 0.00 0.00 56.01 50.67 2k4a n LEU 6 Cb 0.58 0.07 -0.02 0.00 0.00 0.00 0.00 43.42 44.04 2k4a n LEU 6 CO 0.22 1.83 0.83 0.00 0.00 0.00 0.00 177.39 180.26 2k4a n GLN 7 N 2.49 1.69 -3.91 1.96 0.00 -1.04 -3.60 117.38 114.97 2k4a n GLN 7 Ca 0.26 0.60 -0.09 0.00 0.00 0.00 0.00 57.00 57.77 2k4a n GLN 7 Cb 0.43 -2.14 -0.06 0.00 0.00 0.00 0.00 30.24 28.47 2k4a n GLN 7 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 2k4a s TYR 8 N -0.47 0.29 -0.22 2.61 -0.85 -0.55 0.82 117.35 118.98 2k4a s TYR 8 Ca 0.65 -0.65 -0.00 0.00 -0.52 0.00 0.00 57.07 56.55 2k4a s TYR 8 Cb -0.70 0.02 0.06 0.00 0.38 0.00 0.00 41.96 41.72 2k4a s TYR 8 CO 0.54 -0.74 -0.03 -1.54 -1.52 0.00 0.00 175.55 172.26 2k4a s SER 9 N -2.94 3.60 -0.15 -0.18 1.04 0.22 -1.89 113.70 113.39 2k4a s SER 9 Ca 0.15 -1.07 -0.05 0.00 0.48 0.00 0.00 55.95 55.45 2k4a s SER 9 Cb 0.03 -1.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.08 2k4a s SER 9 CO -0.01 -0.25 0.03 -0.76 0.98 0.00 0.00 173.24 173.22 2k4a s LEU 10 N 1.51 3.64 0.00 2.42 1.43 0.39 -0.59 118.68 127.47 2k4a s LEU 10 Ca -0.04 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2k4a s LEU 10 Cb -0.18 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2k4a s LEU 10 CO -0.07 0.22 0.19 -0.90 0.23 0.00 0.00 176.35 176.02 2k4a n ASP 11 N 3.21 0.25 -3.83 2.29 5.68 0.41 0.16 116.55 124.72 2k4a n ASP 11 Ca -0.17 -2.89 -0.09 0.00 -0.50 0.00 0.00 54.79 51.13 2k4a n ASP 11 Cb 0.53 1.18 -0.06 0.00 -1.14 0.00 0.00 41.12 41.63 2k4a n ASP 11 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2k4a s TYR 12 N -3.04 0.13 -0.05 2.11 1.13 -1.26 0.13 117.35 116.50 2k4a s TYR 12 Ca 0.27 -0.51 0.00 0.00 -1.41 0.00 0.00 57.07 55.42 2k4a s TYR 12 Cb 0.01 0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.93 2k4a s TYR 12 CO 0.19 -0.65 -0.03 0.34 -2.51 0.00 0.00 175.55 172.89 2k4a s ASP 13 N -2.88 1.05 0.15 -0.18 -1.08 -0.41 -4.89 116.67 108.43 2k4a s ASP 13 Ca 0.08 -0.11 0.13 0.00 -0.52 0.00 0.00 52.55 52.14 2k4a s ASP 13 Cb 0.03 -0.42 -0.09 0.00 -1.46 0.00 0.00 42.92 40.99 2k4a s ASP 13 CO -0.08 -0.10 1.16 2.19 0.52 0.00 0.00 175.17 178.86 2k4a h PHE 14 N 7.49 0.00 0.71 -5.34 -5.15 -1.96 -1.78 116.94 110.91 2k4a h PHE 14 Ca -0.34 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.40 2k4a h PHE 14 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.32 2k4a h PHE 14 CO 0.49 0.69 -0.36 0.37 -2.00 0.00 0.00 178.31 177.51 2k4a h GLN 15 N 0.00 -0.95 0.00 6.09 4.15 -1.96 -2.88 115.11 119.57 2k4a h GLN 15 Ca -0.08 0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 2k4a h GLN 15 Cb 1.60 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 29.49 2k4a h GLN 15 CO 0.08 -0.63 -0.28 -2.95 -1.93 0.00 0.00 178.83 173.12 2k4a h ASN 16 N -0.98 0.00 -4.31 -0.69 7.08 -2.02 -3.48 115.58 111.18 2k4a h ASN 16 Ca -0.10 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.11 2k4a h ASN 16 Cb 0.76 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.02 2k4a h ASN 16 CO 0.14 0.28 -0.06 -3.20 -2.08 0.00 0.00 177.43 172.51 2k4a n ASN 17 N -3.19 -5.12 -3.73 6.14 2.85 -0.75 -4.95 115.26 106.52 2k4a n ASN 17 Ca 0.03 -0.09 -0.03 0.00 -0.11 0.00 0.00 54.58 54.38 2k4a n ASN 17 Cb 0.63 -3.35 -0.01 0.00 1.24 0.00 0.00 39.78 38.29 2k4a n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k4a s GLN 18 N -3.10 1.12 0.01 1.20 1.03 -0.75 -3.38 119.66 115.78 2k4a s GLN 18 Ca 0.03 -0.62 0.02 0.00 0.04 0.00 0.00 55.36 54.82 2k4a s GLN 18 Cb -0.00 0.38 -0.04 0.00 0.03 0.00 0.00 33.01 33.38 2k4a s GLN 18 CO 0.41 -0.51 0.02 -0.51 -2.54 0.00 0.00 175.29 172.16 2k4a s LEU 19 N -2.97 3.58 -0.46 2.60 1.43 -0.12 -1.29 118.68 121.46 2k4a s LEU 19 Ca 0.13 0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.13 2k4a s LEU 19 Cb -0.01 -2.10 0.11 0.00 0.03 0.00 0.00 46.19 44.23 2k4a s LEU 19 CO 0.02 0.26 0.34 -0.22 0.23 0.00 0.00 176.35 176.98 2k4a s LEU 20 N -1.70 5.62 -0.72 1.79 1.98 0.34 0.14 118.68 126.14 2k4a s LEU 20 Ca 0.21 -1.83 -0.21 0.00 -2.89 0.00 0.00 54.13 49.41 2k4a s LEU 20 Cb -0.12 -2.02 0.10 0.00 0.66 0.00 0.00 46.19 44.82 2k4a s LEU 20 CO 0.12 -0.67 0.95 -0.69 -1.89 0.00 0.00 176.35 174.17 2k4a s VAL 21 N 1.38 4.56 -0.80 1.68 1.01 -0.28 -0.45 120.40 127.51 2k4a s VAL 21 Ca 0.05 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 2k4a s VAL 21 Cb -0.26 -4.67 0.21 0.00 0.00 0.00 0.00 36.38 31.66 2k4a s VAL 21 CO -0.00 -1.39 0.70 -0.83 0.00 0.00 0.00 175.10 173.57 2k4a s GLY 22 N 3.63 2.71 0.75 4.51 0.00 0.24 0.11 107.32 119.26 2k4a s GLY 22 Ca 0.23 -3.40 -0.11 0.00 0.00 0.00 0.00 44.72 41.43 2k4a s GLY 22 CO 0.04 1.21 1.08 -0.26 0.00 0.00 0.00 173.10 175.16 2k4a s ILE 23 N -0.18 3.59 -0.15 0.90 -0.00 -1.26 0.72 121.20 124.82 2k4a s ILE 23 Ca 0.20 0.52 -0.13 0.00 -0.00 0.00 0.00 60.65 61.23 2k4a s ILE 23 Cb -0.13 -3.14 -0.04 0.00 -0.00 0.00 0.00 42.46 39.14 2k4a s ILE 23 CO -0.07 -0.67 -0.26 -0.38 -0.00 0.00 0.00 174.94 173.55 2k4a n ILE 24 N -3.36 1.32 -3.61 8.37 5.41 0.24 -3.80 119.36 123.94 2k4a n ILE 24 Ca 0.08 0.20 -0.02 0.00 1.00 0.00 0.00 62.75 64.01 2k4a n ILE 24 Cb 0.54 -2.28 -0.01 0.00 -0.71 0.00 0.00 39.64 37.18 2k4a n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k4a s GLN 25 N -2.50 0.38 -0.09 0.38 -2.07 -1.13 -3.06 119.66 111.57 2k4a s GLN 25 Ca -0.21 -0.17 -0.03 0.00 -1.82 0.00 0.00 55.36 53.12 2k4a s GLN 25 Cb 0.03 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 2k4a s GLN 25 CO 0.32 -0.17 0.04 0.00 -1.32 0.00 0.00 175.29 174.16 2k4a s ALA 26 N -2.46 3.47 -0.23 2.60 0.00 -0.48 -2.48 121.76 122.17 2k4a s ALA 26 Ca 0.11 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2k4a s ALA 26 Cb 0.01 -1.62 0.05 0.00 0.00 0.00 0.00 23.12 21.57 2k4a s ALA 26 CO -0.04 0.61 -0.11 0.00 0.00 0.00 0.00 175.76 176.22 2k4a s ALA 27 N -0.95 2.24 -0.03 0.00 0.00 0.14 -2.88 121.76 120.28 2k4a s ALA 27 Ca 0.15 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 2k4a s ALA 27 Cb -0.12 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.59 2k4a s ALA 27 CO 0.04 -0.99 0.04 0.39 0.00 0.00 0.00 175.76 175.24 2k4a n GLU 28 N 4.58 -0.95 -4.30 0.00 1.02 0.16 -2.66 120.64 118.48 2k4a n GLU 28 Ca -0.15 1.11 -0.19 0.00 -0.02 0.00 0.00 57.16 57.91 2k4a n GLU 28 Cb 0.45 -1.72 -0.11 0.00 -0.02 0.00 0.00 31.44 30.04 2k4a n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k4a s LEU 29 N -0.13 2.46 0.90 -4.62 1.43 -1.00 -3.19 118.68 114.53 2k4a s LEU 29 Ca -0.05 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.04 2k4a s LEU 29 Cb 0.00 -0.67 0.11 0.00 0.03 0.00 0.00 46.19 45.66 2k4a s LEU 29 CO 0.13 -0.12 1.00 -2.65 0.23 0.00 0.00 176.35 174.94 2k4a n PRO 30 N 0.16 -0.28 -3.34 1.29 -0.02 -1.26 -4.87 135.00 126.67 2k4a n PRO 30 Ca -0.12 -0.02 -0.44 0.00 -2.02 0.00 0.00 63.50 60.90 2k4a n PRO 30 Cb 0.58 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 2k4a n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4a s ALA 31 N -2.47 3.50 -0.22 3.55 0.00 -1.26 -4.43 121.76 120.42 2k4a s ALA 31 Ca 0.66 -1.90 0.06 0.00 0.00 0.00 0.00 51.96 50.78 2k4a s ALA 31 Cb -0.24 -3.10 -0.20 0.00 0.00 0.00 0.00 23.12 19.57 2k4a s ALA 31 CO 0.58 -1.73 -0.06 1.28 0.00 0.00 0.00 175.76 175.83 2k4a n LEU 32 N 5.45 2.01 -4.79 0.00 7.99 -0.75 -4.82 117.00 122.09 2k4a n LEU 32 Ca -0.10 -0.05 -0.35 0.00 -0.01 0.00 0.00 56.01 55.50 2k4a n LEU 32 Cb 0.45 -0.48 -0.05 0.00 -0.11 0.00 0.00 43.42 43.23 2k4a n LEU 32 CO 0.48 0.78 0.69 -0.62 -1.51 0.00 0.00 177.39 177.21 2k4a s ASP 33 N -6.25 6.84 -0.82 -1.43 -1.08 0.22 -4.90 116.67 109.24 2k4a s ASP 33 Ca -0.26 1.89 -0.19 0.00 -0.52 0.00 0.00 52.55 53.47 2k4a s ASP 33 Cb 0.08 -2.57 -0.13 0.00 -1.46 0.00 0.00 42.92 38.84 2k4a s ASP 33 CO 0.69 -0.43 1.97 0.80 0.52 0.00 0.00 175.17 178.72 2k4a n MET 34 N -0.26 1.65 -1.84 4.34 0.00 -1.26 -3.53 117.12 116.23 2k4a n MET 34 Ca 0.06 -1.82 -0.01 0.00 -0.00 0.00 0.00 57.70 55.93 2k4a n MET 34 Cb 0.51 -2.86 -0.01 0.00 0.00 0.00 0.00 33.22 30.86 2k4a n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k4a n GLY 35 N 4.39 -1.02 3.02 -5.12 0.00 -1.26 -4.97 105.19 100.23 2k4a n GLY 35 Ca 0.49 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 2k4a n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 36 N -0.15 -0.49 2.57 -0.02 0.00 -1.23 -4.87 105.19 101.01 2k4a n GLY 36 Ca -0.09 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 2k4a n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4a n THR 37 N -3.49 0.00 -3.94 2.61 -2.24 -1.25 -4.86 114.28 101.11 2k4a n THR 37 Ca -0.04 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.70 2k4a n THR 37 Cb 0.54 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 2k4a n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k4a s SER 38 N -2.51 0.05 -0.78 3.42 0.01 -1.26 0.68 113.70 113.31 2k4a s SER 38 Ca 0.15 -0.99 0.02 0.00 1.31 0.00 0.00 55.95 56.45 2k4a s SER 38 Cb -0.02 0.70 0.29 0.00 0.21 0.00 0.00 66.02 67.20 2k4a s SER 38 CO 0.11 -1.35 1.11 0.47 0.41 0.00 0.00 173.24 174.00 2k4a n ASP 39 N -0.81 5.05 -4.70 2.44 9.92 -1.26 -0.83 116.55 126.36 2k4a n ASP 39 Ca -0.03 -3.53 -0.42 0.00 -0.53 0.00 0.00 54.79 50.28 2k4a n ASP 39 Cb 0.61 -0.86 -0.03 0.00 -0.64 0.00 0.00 41.12 40.20 2k4a n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k4a s PRO 40 N -3.03 4.45 0.02 -0.24 0.04 -1.20 0.17 135.00 135.21 2k4a s PRO 40 Ca 0.40 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.10 2k4a s PRO 40 Cb 0.16 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 2k4a s PRO 40 CO -0.03 -0.25 -0.12 1.52 0.04 0.00 0.00 177.00 178.16 2k4a s TYR 41 N 1.41 1.09 -0.08 0.56 -0.85 0.35 -3.79 117.35 116.04 2k4a s TYR 41 Ca 0.55 -0.30 -0.23 0.00 -0.52 0.00 0.00 57.07 56.57 2k4a s TYR 41 Cb -0.25 -0.66 -0.03 0.00 0.38 0.00 0.00 41.96 41.39 2k4a s TYR 41 CO 0.26 0.01 0.71 0.08 -1.52 0.00 0.00 175.55 175.09 2k4a s VAL 42 N -0.68 5.04 -0.39 -3.49 1.01 -1.26 0.13 120.40 120.76 2k4a s VAL 42 Ca 0.02 1.45 -0.02 0.00 0.00 0.00 0.00 61.98 63.43 2k4a s VAL 42 Cb -0.07 -4.05 0.10 0.00 0.00 0.00 0.00 36.38 32.37 2k4a s VAL 42 CO 0.01 0.23 0.16 -1.59 0.00 0.00 0.00 175.10 173.91 2k4a s LYS 43 N 0.91 1.97 -0.01 2.72 -2.85 0.39 -2.27 119.74 120.61 2k4a s LYS 43 Ca 0.37 -1.76 -0.30 0.00 -1.00 0.00 0.00 55.97 53.28 2k4a s LYS 43 Cb -0.18 -3.48 -0.05 0.00 -2.06 0.00 0.00 37.83 32.06 2k4a s LYS 43 CO 0.18 -1.00 1.40 0.14 0.10 0.00 0.00 175.35 176.16 2k4a s VAL 44 N 1.12 3.74 0.17 1.79 -7.23 -1.14 -2.70 120.40 116.15 2k4a s VAL 44 Ca 0.07 1.11 0.02 0.00 -1.81 0.00 0.00 61.98 61.38 2k4a s VAL 44 Cb -0.22 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 32.96 2k4a s VAL 44 CO -0.04 -0.01 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.37 2k4a s PHE 45 N 2.44 1.22 0.14 2.82 0.08 0.43 -4.04 117.98 121.07 2k4a s PHE 45 Ca 0.63 -0.99 0.02 0.00 0.12 0.00 0.00 56.93 56.72 2k4a s PHE 45 Cb -0.31 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 2k4a s PHE 45 CO 0.26 -0.17 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.66 2k4a s LEU 46 N -3.17 2.34 0.00 -0.37 2.01 -1.26 0.50 118.68 118.72 2k4a s LEU 46 Ca 0.23 -1.08 -0.09 0.00 0.01 0.00 0.00 54.13 53.19 2k4a s LEU 46 Cb 0.06 -0.09 0.15 0.00 0.01 0.00 0.00 46.19 46.31 2k4a s LEU 46 CO 0.03 -0.50 0.34 0.00 1.01 0.00 0.00 176.35 177.23 2k4a n LEU 47 N -0.15 0.00 -0.04 1.79 -0.00 -0.30 -4.11 117.00 114.19 2k4a n LEU 47 Ca -0.09 -0.34 0.01 0.00 -0.00 0.00 0.00 56.01 55.58 2k4a n LEU 47 Cb 0.62 -0.38 0.02 0.00 -0.00 0.00 0.00 43.42 43.67 2k4a n LEU 47 CO 0.32 -2.01 0.08 -2.65 -0.00 0.00 0.00 177.39 173.13 2k4a n PRO 48 N -3.46 -0.01 -0.34 1.47 -0.02 -1.26 0.68 135.00 132.06 2k4a n PRO 48 Ca 0.05 0.17 -0.03 0.00 -2.02 0.00 0.00 63.50 61.67 2k4a n PRO 48 Cb 0.23 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.45 2k4a n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k4a n ASP 49 N -4.11 -0.66 -1.42 2.55 2.03 -1.26 -4.73 116.55 108.95 2k4a n ASP 49 Ca 0.02 1.51 -0.07 0.00 0.52 0.00 0.00 54.79 56.77 2k4a n ASP 49 Cb 0.06 -0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 2k4a n ASP 49 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k4a n LYS 50 N -5.22 -1.40 -1.23 -0.67 4.76 0.21 -4.80 118.16 109.82 2k4a n LYS 50 Ca 0.07 0.41 -0.34 0.00 -2.87 0.00 0.00 58.31 55.58 2k4a n LYS 50 Cb 0.31 -4.61 -0.05 0.00 -1.84 0.00 0.00 35.03 28.84 2k4a n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k4a n LYS 51 N -1.68 3.36 0.00 1.97 5.02 -1.26 -4.73 118.16 120.84 2k4a n LYS 51 Ca -0.07 -1.98 0.00 0.00 -2.02 0.00 0.00 58.31 54.24 2k4a n LYS 51 Cb 0.29 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 2k4a n LYS 51 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k4a n LYS 52 N 3.45 0.00 -2.74 1.97 2.85 -1.26 -4.14 118.16 118.28 2k4a n LYS 52 Ca 0.72 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.92 2k4a n LYS 52 Cb 0.33 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.74 2k4a n LYS 52 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2k4a n LYS 53 N -0.36 0.58 -3.88 -1.58 4.81 -1.26 -4.72 118.16 111.75 2k4a n LYS 53 Ca 0.00 -1.72 -0.35 0.00 -0.87 0.00 0.00 58.31 55.37 2k4a n LYS 53 Cb 0.00 -1.26 -0.05 0.00 0.02 0.00 0.00 35.03 33.74 2k4a n LYS 53 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 2k4a s PHE 54 N 0.75 3.58 -0.11 5.64 5.36 -1.26 -5.04 117.98 126.90 2k4a s PHE 54 Ca 0.30 0.46 0.02 0.00 -0.96 0.00 0.00 56.93 56.75 2k4a s PHE 54 Cb 0.12 -1.90 0.01 0.00 -0.34 0.00 0.00 43.02 40.92 2k4a s PHE 54 CO -0.14 0.68 -0.16 -2.00 -1.46 0.00 0.00 175.22 172.15 2k4a s GLU 55 N -1.53 2.26 0.57 10.12 2.12 -1.26 -2.88 118.70 128.11 2k4a s GLU 55 Ca 0.22 -0.58 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 2k4a s GLU 55 Cb -0.12 -1.93 -0.05 0.00 0.26 0.00 0.00 34.13 32.29 2k4a s GLU 55 CO 0.12 -0.07 1.04 0.95 -0.54 0.00 0.00 175.26 176.76 2k4a s THR 56 N 1.00 3.98 0.19 -1.70 -4.23 -0.96 -4.97 115.64 108.95 2k4a s THR 56 Ca -0.06 0.95 -0.32 0.00 -1.18 0.00 0.00 61.69 61.08 2k4a s THR 56 Cb -0.15 -3.46 -0.11 0.00 1.34 0.00 0.00 72.50 70.12 2k4a s THR 56 CO -0.02 -0.54 1.66 -0.75 -0.54 0.00 0.00 174.62 174.43 2k4a s LYS 57 N -4.04 4.16 0.03 3.99 2.20 -1.26 -4.72 119.74 120.10 2k4a s LYS 57 Ca 0.63 2.50 -0.35 0.00 -0.36 0.00 0.00 55.97 58.39 2k4a s LYS 57 Cb -0.15 -3.11 -0.14 0.00 -1.51 0.00 0.00 37.83 32.93 2k4a s LYS 57 CO 0.35 -0.69 1.65 1.55 -0.36 0.00 0.00 175.35 177.85 2k4a n VAL 58 N 3.97 0.21 -3.55 4.02 3.14 -1.26 -4.83 118.33 120.03 2k4a n VAL 58 Ca 0.15 -0.04 -0.41 0.00 -2.96 0.00 0.00 64.34 61.08 2k4a n VAL 58 Cb 0.37 -1.49 -0.06 0.00 -1.06 0.00 0.00 33.84 31.59 2k4a n VAL 58 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2k4a s HIS 59 N 2.08 3.60 0.32 1.45 0.09 -1.25 -5.05 115.29 116.53 2k4a s HIS 59 Ca 0.86 -2.45 -0.29 0.00 -0.00 0.00 0.00 55.06 53.18 2k4a s HIS 59 Cb -0.77 -3.47 -0.10 0.00 -0.00 0.00 0.00 32.58 28.24 2k4a s HIS 59 CO 0.46 -0.90 1.40 -0.98 -0.00 0.00 0.00 174.74 174.73 2k4a s ARG 60 N -0.11 4.26 -0.52 1.40 1.04 -1.26 -3.23 118.95 120.53 2k4a s ARG 60 Ca 0.18 2.34 -0.30 0.00 -1.04 0.00 0.00 55.73 56.92 2k4a s ARG 60 Cb -0.15 -3.05 0.04 0.00 -2.04 0.00 0.00 34.95 29.75 2k4a s ARG 60 CO -0.06 -0.35 0.65 1.63 -0.04 0.00 0.00 175.30 177.13 2k4a n LYS 61 N 1.16 -1.90 -3.25 3.89 4.76 -0.55 -4.91 118.16 117.36 2k4a n LYS 61 Ca 0.02 1.38 0.03 0.00 -2.87 0.00 0.00 58.31 56.88 2k4a n LYS 61 Cb 0.41 -2.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.10 2k4a n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k4a s THR 62 N -1.85 -0.64 -1.72 -0.18 -1.32 -0.01 -4.90 115.64 105.01 2k4a s THR 62 Ca 0.30 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.05 2k4a s THR 62 Cb -0.04 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.27 2k4a s THR 62 CO 0.87 0.00 1.64 0.18 -2.21 0.00 0.00 174.62 175.10 2k4a n LEU 63 N 5.35 0.88 -3.23 9.08 4.77 -1.26 -4.26 117.00 128.32 2k4a n LEU 63 Ca -0.06 -0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 55.49 2k4a n LEU 63 Cb 0.52 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 2k4a n LEU 63 CO -0.04 0.16 -0.22 -3.20 -1.33 0.00 0.00 177.39 172.76 2k4a n ASN 64 N -0.73 0.89 -4.69 -1.43 5.15 -1.26 -0.67 115.26 112.52 2k4a n ASN 64 Ca 0.13 -2.84 -0.42 0.00 -0.60 0.00 0.00 54.58 50.84 2k4a n ASN 64 Cb 0.33 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 38.91 2k4a n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k4a s PRO 65 N -1.46 4.41 0.03 1.20 0.04 -1.14 -4.85 135.00 133.24 2k4a s PRO 65 Ca 0.36 1.50 0.06 0.00 0.04 0.00 0.00 61.00 62.96 2k4a s PRO 65 Cb 0.17 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2k4a s PRO 65 CO -0.09 -0.33 -0.14 0.14 0.04 0.00 0.00 177.00 176.63 2k4a s VAL 66 N 1.94 3.13 0.00 -0.36 -7.23 -1.26 -1.39 120.40 115.23 2k4a s VAL 66 Ca 0.51 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2k4a s VAL 66 Cb -0.21 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2k4a s VAL 66 CO 0.21 0.34 0.00 0.33 -0.31 0.00 0.00 175.10 175.67 2k4a n PHE 67 N 1.50 -0.03 -3.04 2.82 -0.00 -1.20 -5.03 117.46 112.48 2k4a n PHE 67 Ca -0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.16 2k4a n PHE 67 Cb 0.52 0.01 0.06 0.00 -0.00 0.00 0.00 39.48 40.07 2k4a n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k4a n ASN 68 N -0.92 -3.04 -4.63 -2.13 5.15 -1.17 -4.95 115.26 103.57 2k4a n ASN 68 Ca 0.00 -0.39 -0.43 0.00 -0.60 0.00 0.00 54.58 53.16 2k4a n ASN 68 Cb 0.00 -3.54 -0.02 0.00 -0.53 0.00 0.00 39.78 35.69 2k4a n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k4a s GLU 69 N -5.24 3.95 0.04 1.20 2.02 -1.26 -4.82 118.70 114.59 2k4a s GLU 69 Ca 0.14 1.12 -0.30 0.00 0.02 0.00 0.00 54.97 55.95 2k4a s GLU 69 Cb -0.06 -3.83 -0.08 0.00 0.10 0.00 0.00 34.13 30.26 2k4a s GLU 69 CO 0.48 -1.06 1.75 -1.14 0.02 0.00 0.00 175.26 175.31 2k4a s GLN 70 N 4.01 4.17 -0.36 1.61 -0.44 -1.26 -4.32 119.66 123.07 2k4a s GLN 70 Ca 0.52 2.39 -0.13 0.00 -2.50 0.00 0.00 55.36 55.64 2k4a s GLN 70 Cb -0.14 -3.84 -0.00 0.00 -1.64 0.00 0.00 33.01 27.39 2k4a s GLN 70 CO 0.21 -0.83 0.26 0.12 0.50 0.00 0.00 175.29 175.55 2k4a s PHE 71 N 3.46 3.23 -0.71 1.67 5.36 0.12 -4.96 117.98 126.15 2k4a s PHE 71 Ca 0.78 -0.36 -0.27 0.00 -0.96 0.00 0.00 56.93 56.12 2k4a s PHE 71 Cb -0.39 -2.51 0.02 0.00 -0.34 0.00 0.00 43.02 39.79 2k4a s PHE 71 CO 0.34 -0.44 1.45 0.99 -1.46 0.00 0.00 175.22 176.10 2k4a s THR 72 N 1.70 3.62 -1.36 0.12 2.01 -1.26 -1.13 115.64 119.34 2k4a s THR 72 Ca 0.06 0.32 -0.16 0.00 0.31 0.00 0.00 61.69 62.22 2k4a s THR 72 Cb -0.18 -4.64 0.07 0.00 0.01 0.00 0.00 72.50 67.76 2k4a s THR 72 CO 0.10 -1.59 1.93 0.33 -0.69 0.00 0.00 174.62 174.70 2k4a n PHE 73 N 10.35 4.15 -1.79 4.92 -0.00 0.12 -4.88 117.46 130.33 2k4a n PHE 73 Ca 0.09 -2.92 -0.39 0.00 -0.00 0.00 0.00 57.45 54.23 2k4a n PHE 73 Cb 0.50 -2.55 -0.03 0.00 -0.00 0.00 0.00 39.48 37.40 2k4a n PHE 73 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2k4a s LYS 74 N 3.50 2.63 0.00 -4.13 -0.14 -1.26 -0.94 119.74 119.41 2k4a s LYS 74 Ca 0.50 1.26 0.00 0.00 -1.36 0.00 0.00 55.97 56.37 2k4a s LYS 74 Cb 0.08 -4.42 0.00 0.00 -1.68 0.00 0.00 37.83 31.81 2k4a s LYS 74 CO 0.00 -2.69 0.00 1.55 -0.76 0.00 0.00 175.35 173.46 2k4a n VAL 75 N 7.62 0.00 -1.66 3.17 3.14 -1.23 -4.65 118.33 124.72 2k4a n VAL 75 Ca 0.28 0.00 -0.48 0.00 -2.96 0.00 0.00 64.34 61.18 2k4a n VAL 75 Cb 0.51 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.24 2k4a n VAL 75 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2k4a n PRO 76 N -0.09 1.94 -0.28 1.45 -0.02 -1.22 -3.44 135.00 133.34 2k4a n PRO 76 Ca 0.00 0.70 0.17 0.00 -2.02 0.00 0.00 63.50 62.35 2k4a n PRO 76 Cb 0.00 -2.46 0.46 0.00 -0.02 0.00 0.00 33.50 31.48 2k4a n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k4a h TYR 77 N 6.31 0.69 -0.34 6.00 -0.00 -1.90 0.68 116.97 128.41 2k4a h TYR 77 Ca -0.46 0.02 -0.13 0.00 0.00 0.00 0.00 58.73 58.16 2k4a h TYR 77 Cb 1.27 -0.21 -0.01 0.00 0.00 0.00 0.00 36.73 37.78 2k4a h TYR 77 CO 0.67 0.18 -0.30 0.66 -0.00 0.00 0.00 178.16 179.36 2k4a h SER 78 N 0.51 0.76 0.77 0.10 4.64 -1.98 -2.86 113.55 115.49 2k4a h SER 78 Ca 0.50 -0.30 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 2k4a h SER 78 Cb 1.09 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 2k4a h SER 78 CO -0.23 1.01 -0.72 -0.08 -0.87 0.00 0.00 176.83 175.94 2k4a h GLU 79 N 0.62 0.00 -1.32 4.77 4.81 -0.63 -3.23 114.58 119.61 2k4a h GLU 79 Ca 0.07 0.00 0.42 0.00 -0.13 0.00 0.00 59.36 59.72 2k4a h GLU 79 Cb 0.82 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.08 2k4a h GLU 79 CO 0.07 0.72 0.86 1.25 -0.73 0.00 0.00 179.01 181.18 2k4a h LEU 80 N 0.00 0.24 -1.86 1.64 6.46 0.37 0.48 115.31 122.64 2k4a h LEU 80 Ca -0.01 0.12 0.20 0.00 -0.12 0.00 0.00 57.88 58.07 2k4a h LEU 80 Cb 1.30 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 41.30 2k4a h LEU 80 CO 0.09 -0.14 0.64 1.23 -0.62 0.00 0.00 178.44 179.65 2k4a h GLY 81 N 0.11 0.00 -2.96 3.75 0.00 -1.69 0.48 103.07 102.75 2k4a h GLY 81 Ca 0.79 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.98 2k4a h GLY 81 CO -0.37 0.00 0.14 0.61 0.00 0.00 0.00 176.54 176.92 2k4a n GLY 82 N -1.60 3.86 3.24 4.60 0.00 0.17 -3.84 105.19 111.62 2k4a n GLY 82 Ca 0.14 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 2k4a n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 83 N -2.97 1.34 -0.26 1.61 3.01 0.17 -4.89 119.74 117.74 2k4a s LYS 83 Ca 0.51 -0.93 0.01 0.00 -1.01 0.00 0.00 55.97 54.55 2k4a s LYS 83 Cb 0.41 -1.45 0.07 0.00 -1.01 0.00 0.00 37.83 35.85 2k4a s LYS 83 CO 0.11 0.37 -0.01 0.99 0.51 0.00 0.00 175.35 177.32 2k4a s THR 84 N -0.81 1.52 0.31 2.17 2.01 -1.26 -0.35 115.64 119.23 2k4a s THR 84 Ca 0.07 -1.42 -0.27 0.00 0.31 0.00 0.00 61.69 60.38 2k4a s THR 84 Cb -0.09 -1.90 -0.09 0.00 0.01 0.00 0.00 72.50 70.42 2k4a s THR 84 CO 0.02 -0.28 1.00 -1.48 -0.69 0.00 0.00 174.62 173.19 2k4a s LEU 85 N 1.36 4.40 -0.13 4.42 2.34 -1.17 -1.15 118.68 128.75 2k4a s LEU 85 Ca -0.00 2.00 0.00 0.00 0.06 0.00 0.00 54.13 56.18 2k4a s LEU 85 Cb -0.19 -3.89 0.02 0.00 -0.56 0.00 0.00 46.19 41.58 2k4a s LEU 85 CO -0.10 -0.13 -0.12 0.68 -1.06 0.00 0.00 176.35 175.62 2k4a s VAL 86 N -1.44 1.37 -0.47 1.48 -7.23 0.18 -2.17 120.40 112.13 2k4a s VAL 86 Ca 0.49 -0.51 -0.11 0.00 -1.81 0.00 0.00 61.98 60.04 2k4a s VAL 86 Cb -0.24 -1.32 0.11 0.00 0.56 0.00 0.00 36.38 35.49 2k4a s VAL 86 CO 0.30 0.43 0.35 -0.32 -0.31 0.00 0.00 175.10 175.54 2k4a s MET 87 N 1.55 2.63 -0.08 4.82 1.75 0.54 -0.43 119.30 130.09 2k4a s MET 87 Ca 0.05 -1.63 -0.01 0.00 -1.25 0.00 0.00 55.69 52.84 2k4a s MET 87 Cb -0.13 -3.96 -0.03 0.00 2.84 0.00 0.00 34.83 33.55 2k4a s MET 87 CO -0.10 -1.13 -0.01 0.00 -0.65 0.00 0.00 175.02 173.14 2k4a s ALA 88 N 1.44 3.24 -0.22 4.11 0.00 -1.10 0.47 121.76 129.70 2k4a s ALA 88 Ca 0.04 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 2k4a s ALA 88 Cb -0.26 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 2k4a s ALA 88 CO 0.01 0.58 0.07 0.54 0.00 0.00 0.00 175.76 176.96 2k4a s VAL 89 N -0.86 4.51 -0.01 0.00 0.11 0.24 0.15 120.40 124.54 2k4a s VAL 89 Ca 0.13 -0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 2k4a s VAL 89 Cb -0.11 -3.08 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 2k4a s VAL 89 CO 0.02 0.38 -0.14 -0.47 -3.33 0.00 0.00 175.10 171.56 2k4a s TYR 90 N 1.16 2.70 0.49 1.54 5.04 0.34 -2.80 117.35 125.81 2k4a s TYR 90 Ca 0.04 -0.16 -0.06 0.00 -2.44 0.00 0.00 57.07 54.45 2k4a s TYR 90 Cb -0.14 -1.58 -0.04 0.00 0.35 0.00 0.00 41.96 40.55 2k4a s TYR 90 CO 0.03 0.25 0.81 0.34 -1.34 0.00 0.00 175.55 175.63 2k4a s ASP 91 N -1.08 6.28 -0.35 4.32 2.15 -0.72 0.13 116.67 127.40 2k4a s ASP 91 Ca 0.14 0.99 0.15 0.00 0.43 0.00 0.00 52.55 54.26 2k4a s ASP 91 Cb -0.11 -2.27 0.43 0.00 -0.30 0.00 0.00 42.92 40.67 2k4a s ASP 91 CO 0.03 -0.59 0.93 0.33 -0.17 0.00 0.00 175.17 175.70 2k4a n PHE 92 N -2.21 1.28 0.05 -5.34 7.35 0.13 -4.57 117.46 114.15 2k4a n PHE 92 Ca 0.01 -3.05 0.21 0.00 -0.76 0.00 0.00 57.45 53.86 2k4a n PHE 92 Cb 0.55 -0.36 0.63 0.00 0.35 0.00 0.00 39.48 40.65 2k4a n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k4a h ASP 93 N 2.96 0.00 -2.00 -2.13 2.03 -1.89 -3.44 116.42 111.95 2k4a h ASP 93 Ca -0.02 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.02 2k4a h ASP 93 Cb 1.10 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.59 2k4a h ASP 93 CO 0.54 0.00 -0.34 0.54 -1.03 0.00 0.00 179.24 178.95 2k4a n ARG 94 N -3.40 -1.29 0.01 4.15 3.00 -1.26 -4.82 116.66 113.06 2k4a n ARG 94 Ca 0.10 0.63 0.00 0.00 -0.01 0.00 0.00 57.85 58.57 2k4a n ARG 94 Cb 0.87 -4.85 0.00 0.00 0.00 0.00 0.00 32.46 28.48 2k4a n ARG 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k4a n PHE 95 N -4.02 -0.80 -2.74 -1.55 7.35 -1.26 -5.15 117.46 109.29 2k4a n PHE 95 Ca -0.15 0.06 -0.17 0.00 -0.76 0.00 0.00 57.45 56.43 2k4a n PHE 95 Cb 0.61 0.57 0.08 0.00 0.35 0.00 0.00 39.48 41.10 2k4a n PHE 95 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2k4a n SER 96 N -2.58 1.34 -4.58 -2.13 7.64 -1.26 -4.94 113.62 107.11 2k4a n SER 96 Ca 0.00 -2.05 -0.28 0.00 1.01 0.00 0.00 58.87 57.55 2k4a n SER 96 Cb 0.00 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 2k4a n SER 96 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k4a s LYS 97 N -4.39 2.48 0.22 1.43 -0.14 -1.26 -4.86 119.74 113.22 2k4a s LYS 97 Ca 0.52 -1.11 -0.17 0.00 -1.36 0.00 0.00 55.97 53.85 2k4a s LYS 97 Cb -0.03 -5.23 -0.11 0.00 -1.68 0.00 0.00 37.83 30.77 2k4a s LYS 97 CO 0.34 -3.97 0.19 0.72 -0.76 0.00 0.00 175.35 171.86 2k4a n HIS 98 N 14.44 -1.01 -4.07 3.18 8.25 -1.26 -4.94 115.22 129.80 2k4a n HIS 98 Ca 0.44 0.54 -0.28 0.00 -0.26 0.00 0.00 57.72 58.16 2k4a n HIS 98 Cb 0.47 -1.30 -0.06 0.00 1.12 0.00 0.00 29.99 30.22 2k4a n HIS 98 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2k4a s ASP 99 N -0.70 5.50 -1.19 0.41 -1.08 -1.26 -4.88 116.67 113.46 2k4a s ASP 99 Ca 0.43 -0.08 -0.11 0.00 -0.52 0.00 0.00 52.55 52.26 2k4a s ASP 99 Cb -0.53 -1.45 0.21 0.00 -1.46 0.00 0.00 42.92 39.69 2k4a s ASP 99 CO 0.42 0.12 1.44 -0.38 0.52 0.00 0.00 175.17 177.29 2k4a n ILE 100 N 0.02 4.43 -0.25 4.11 5.41 -1.26 -1.76 119.36 130.06 2k4a n ILE 100 Ca -0.09 -4.92 0.22 0.00 1.00 0.00 0.00 62.75 58.97 2k4a n ILE 100 Cb 0.53 -2.44 0.42 0.00 -0.71 0.00 0.00 39.64 37.43 2k4a n ILE 100 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2k4a n ILE 101 N 3.68 -0.33 -3.66 1.39 -5.35 -1.12 -4.04 119.36 109.92 2k4a n ILE 101 Ca 0.34 1.60 -0.03 0.00 -0.27 0.00 0.00 62.75 64.39 2k4a n ILE 101 Cb 0.40 -2.55 -0.01 0.00 -1.74 0.00 0.00 39.64 35.73 2k4a n ILE 101 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k4a s GLY 102 N -4.18 -0.33 -0.26 3.28 0.00 -1.22 -2.07 107.32 102.54 2k4a s GLY 102 Ca -0.08 0.57 -0.14 0.00 0.00 0.00 0.00 44.72 45.08 2k4a s GLY 102 CO 0.61 0.14 0.62 -1.83 0.00 0.00 0.00 173.10 172.63 2k4a s GLU 103 N -2.91 0.62 0.14 2.90 -1.05 0.51 0.80 118.70 119.72 2k4a s GLU 103 Ca 0.12 1.14 0.09 0.00 -0.15 0.00 0.00 54.97 56.17 2k4a s GLU 103 Cb 0.01 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 2k4a s GLU 103 CO -0.02 -0.16 -0.14 -0.59 0.95 0.00 0.00 175.26 175.30 2k4a s PHE 104 N 1.69 2.59 0.11 4.83 -0.12 0.18 -4.49 117.98 122.76 2k4a s PHE 104 Ca -0.09 -0.23 -0.12 0.00 -0.05 0.00 0.00 56.93 56.43 2k4a s PHE 104 Cb -0.06 -1.33 0.01 0.00 -0.63 0.00 0.00 43.02 41.01 2k4a s PHE 104 CO -0.18 0.44 0.28 -1.59 -0.05 0.00 0.00 175.22 174.12 2k4a s LYS 105 N -2.42 0.95 -0.24 1.99 -2.85 -1.26 0.20 119.74 116.11 2k4a s LYS 105 Ca 0.21 -0.87 -0.17 0.00 -1.00 0.00 0.00 55.97 54.15 2k4a s LYS 105 Cb -0.10 0.40 0.07 0.00 -2.06 0.00 0.00 37.83 36.14 2k4a s LYS 105 CO 0.12 -0.33 0.61 0.54 0.10 0.00 0.00 175.35 176.39 2k4a s VAL 106 N -3.84 -0.00 -0.10 1.79 0.11 -0.92 -5.02 120.40 112.41 2k4a s VAL 106 Ca 0.05 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 2k4a s VAL 106 Cb 0.04 -0.88 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 2k4a s VAL 106 CO -0.11 0.01 1.97 -2.16 -3.33 0.00 0.00 175.10 171.48 2k4a s PRO 107 N 1.08 3.73 0.33 1.54 0.04 -1.26 -3.04 135.00 137.42 2k4a s PRO 107 Ca -0.06 2.21 0.08 0.00 0.04 0.00 0.00 61.00 63.27 2k4a s PRO 107 Cb -0.05 -4.20 0.78 0.00 0.04 0.00 0.00 34.50 31.06 2k4a s PRO 107 CO -0.10 -1.41 1.83 0.52 0.04 0.00 0.00 177.00 177.87 2k4a h MET 108 N 12.11 0.72 -0.92 4.56 2.86 -0.92 0.11 114.93 133.45 2k4a h MET 108 Ca -0.43 -0.04 0.19 0.00 -2.06 0.00 0.00 59.70 57.36 2k4a h MET 108 Cb 1.22 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 32.64 2k4a h MET 108 CO 0.96 0.47 0.60 -0.97 1.06 0.00 0.00 176.91 179.03 2k4a h ASN 109 N 0.74 0.53 0.33 1.22 -0.73 -1.67 0.15 115.58 116.15 2k4a h ASN 109 Ca 0.51 0.05 -0.20 0.00 1.87 0.00 0.00 56.30 58.53 2k4a h ASN 109 Cb 0.80 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 39.34 2k4a h ASN 109 CO -0.27 0.22 -0.80 0.74 -0.37 0.00 0.00 177.43 176.94 2k4a h THR 110 N 0.54 1.40 -1.85 -3.57 2.02 -1.12 -3.42 112.91 106.90 2k4a h THR 110 Ca 0.49 -2.28 -0.48 0.00 0.77 0.00 0.00 66.41 64.91 2k4a h THR 110 Cb 1.03 2.24 -0.04 0.00 -1.74 0.00 0.00 68.15 69.64 2k4a h THR 110 CO -0.22 0.68 1.27 -0.69 0.37 0.00 0.00 175.52 176.93 2k4a s VAL 111 N -3.47 3.39 -0.86 3.16 1.01 0.51 -4.90 120.40 119.24 2k4a s VAL 111 Ca -0.05 0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 2k4a s VAL 111 Cb 0.10 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2k4a s VAL 111 CO 0.84 -0.99 1.97 1.51 0.00 0.00 0.00 175.10 178.44 2k4a s ASP 112 N 7.78 5.07 -0.79 3.32 -4.77 -1.26 -4.84 116.67 121.17 2k4a s ASP 112 Ca 0.65 -0.52 -0.08 0.00 -3.30 0.00 0.00 52.55 49.30 2k4a s ASP 112 Cb -0.12 -2.56 -0.06 0.00 -1.09 0.00 0.00 42.92 39.09 2k4a s ASP 112 CO 0.18 -2.79 1.96 2.22 0.70 0.00 0.00 175.17 177.44 2k4a n PHE 113 N 14.19 1.28 0.10 2.11 -1.74 -1.26 -4.57 117.46 127.57 2k4a n PHE 113 Ca 0.39 -1.77 -0.05 0.00 -0.56 0.00 0.00 57.45 55.46 2k4a n PHE 113 Cb 0.47 -1.55 -0.02 0.00 1.52 0.00 0.00 39.48 39.90 2k4a n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k4a h GLY 114 N 9.39 -0.32 0.00 4.97 0.00 -2.00 -3.47 103.07 111.64 2k4a h GLY 114 Ca 0.43 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2k4a h GLY 114 CO 1.48 -0.12 0.00 1.42 0.00 0.00 0.00 176.54 179.32 2k4a n HIS 115 N -3.89 -0.38 -3.68 5.60 8.25 -1.26 -5.08 115.22 114.78 2k4a n HIS 115 Ca -0.04 0.07 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 2k4a n HIS 115 Cb 0.12 0.17 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 2k4a n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k4a s VAL 116 N -1.47 0.02 -0.36 1.59 -7.23 -1.26 -4.44 120.40 107.25 2k4a s VAL 116 Ca 0.00 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 2k4a s VAL 116 Cb 0.00 -0.73 0.10 0.00 0.56 0.00 0.00 36.38 36.30 2k4a s VAL 116 CO 0.00 -0.09 0.10 -0.89 -0.31 0.00 0.00 175.10 173.91 2k4a s THR 117 N -0.59 2.80 -0.22 5.32 2.01 0.42 -4.97 115.64 120.41 2k4a s THR 117 Ca -0.07 -2.06 0.01 0.00 0.31 0.00 0.00 61.69 59.88 2k4a s THR 117 Cb -0.03 -2.91 0.03 0.00 0.01 0.00 0.00 72.50 69.60 2k4a s THR 117 CO 0.04 -0.54 -0.14 -1.61 -0.69 0.00 0.00 174.62 171.68 2k4a s GLU 118 N 1.06 2.76 0.13 4.92 2.02 -1.26 0.15 118.70 128.47 2k4a s GLU 118 Ca 0.06 -1.00 -0.15 0.00 0.02 0.00 0.00 54.97 53.90 2k4a s GLU 118 Cb -0.21 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.30 2k4a s GLU 118 CO -0.05 -0.35 0.39 -1.83 0.02 0.00 0.00 175.26 173.44 2k4a s GLU 119 N 1.25 1.08 -1.23 1.61 -1.05 -0.79 -5.01 118.70 114.56 2k4a s GLU 119 Ca 0.00 -0.75 -0.13 0.00 -0.15 0.00 0.00 54.97 53.94 2k4a s GLU 119 Cb -0.16 0.46 0.17 0.00 -0.44 0.00 0.00 34.13 34.16 2k4a s GLU 119 CO -0.09 -0.42 1.54 0.91 0.95 0.00 0.00 175.26 178.15 2k4a n TRP 120 N -0.22 4.57 -1.67 4.83 5.03 -1.26 -1.48 117.44 127.23 2k4a n TRP 120 Ca -0.15 -3.23 -0.46 0.00 3.03 0.00 0.00 57.50 56.69 2k4a n TRP 120 Cb 0.64 -2.16 -0.03 0.00 -1.03 0.00 0.00 31.31 28.72 2k4a n TRP 120 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2k4a n ARG 121 N 5.38 2.05 -2.75 -0.99 3.00 -1.24 -4.77 116.66 117.34 2k4a n ARG 121 Ca 0.38 0.73 -0.36 0.00 -0.00 0.00 0.00 57.85 58.60 2k4a n ARG 121 Cb 0.41 -2.44 -0.06 0.00 0.00 0.00 0.00 32.46 30.37 2k4a n ARG 121 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2k4a s ASP 122 N 0.57 7.23 -0.22 6.15 -4.77 -1.26 0.94 116.67 125.31 2k4a s ASP 122 Ca 0.74 1.85 -0.06 0.00 -3.30 0.00 0.00 52.55 51.77 2k4a s ASP 122 Cb -0.68 -2.58 -0.03 0.00 -1.09 0.00 0.00 42.92 38.55 2k4a s ASP 122 CO 0.44 -0.15 0.03 -0.76 0.70 0.00 0.00 175.17 175.44 2k4a s LEU 123 N -2.24 3.37 -0.10 2.11 1.43 0.13 -4.71 118.68 118.66 2k4a s LEU 123 Ca 0.52 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 2k4a s LEU 123 Cb -0.18 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 2k4a s LEU 123 CO 0.23 0.03 -0.05 0.00 0.23 0.00 0.00 176.35 176.79 2k4a s GLN 124 N 1.23 3.14 0.52 1.70 -2.07 -1.26 -0.17 119.66 122.76 2k4a s GLN 124 Ca 0.04 -0.52 -0.20 0.00 -1.82 0.00 0.00 55.36 52.86 2k4a s GLN 124 Cb -0.15 -2.74 -0.07 0.00 -1.09 0.00 0.00 33.01 28.97 2k4a s GLN 124 CO 0.02 0.51 1.11 -1.12 -1.32 0.00 0.00 175.29 174.49 2k4a s SER 125 N -0.37 5.90 -0.06 12.60 0.01 -1.26 -0.36 113.70 130.16 2k4a s SER 125 Ca 0.06 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.44 2k4a s SER 125 Cb -0.12 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.55 2k4a s SER 125 CO 0.02 -1.10 -0.04 0.00 0.41 0.00 0.00 173.24 172.54 2k4a s ALA 126 N -1.81 0.81 -1.04 1.44 0.00 -0.88 -4.67 121.76 115.60 2k4a s ALA 126 Ca 0.71 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 2k4a s ALA 126 Cb -0.22 -0.59 -0.08 0.00 0.00 0.00 0.00 23.12 22.23 2k4a s ALA 126 CO 0.25 -0.19 2.18 0.39 0.00 0.00 0.00 175.76 178.39 2k4a n GLU 127 N 4.48 2.21 0.00 0.00 1.02 -1.26 -4.58 120.64 122.51 2k4a n GLU 127 Ca -0.18 -1.87 0.15 0.00 -0.02 0.00 0.00 57.16 55.25 2k4a n GLU 127 Cb 0.51 -2.79 0.77 0.00 -0.02 0.00 0.00 31.44 29.90 2k4a n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94