#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k85 s VAL 3 N 0.00 1.44 0.11 1.47 -7.23 0.44 -0.84 120.40 115.78 3k85 s VAL 3 Ca 0.00 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 3k85 s VAL 3 Cb 0.00 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 3k85 s VAL 3 CO 0.00 -0.22 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.37 3k85 s ARG 4 N -2.10 0.88 0.19 4.82 0.52 -0.10 -0.45 118.95 122.71 3k85 s ARG 4 Ca 0.05 -1.33 -0.19 0.00 -0.52 0.00 0.00 55.73 53.73 3k85 s ARG 4 Cb -0.09 -0.33 0.04 0.00 0.52 0.00 0.00 34.95 35.10 3k85 s ARG 4 CO 0.04 0.01 0.56 -1.54 0.02 0.00 0.00 175.30 174.38 3k85 s SER 5 N -2.99 -0.35 -0.05 0.23 1.04 0.10 -0.98 113.70 110.69 3k85 s SER 5 Ca 0.12 -0.34 -0.27 0.00 0.48 0.00 0.00 55.95 55.94 3k85 s SER 5 Cb 0.04 0.59 0.06 0.00 0.10 0.00 0.00 66.02 66.81 3k85 s SER 5 CO -0.03 -1.04 0.60 -1.59 0.98 0.00 0.00 173.24 172.16 3k85 s LYS 6 N -3.84 0.96 0.01 4.02 -2.85 -0.82 -1.65 119.74 115.58 3k85 s LYS 6 Ca 0.06 0.20 0.01 0.00 -1.00 0.00 0.00 55.97 55.25 3k85 s LYS 6 Cb -0.01 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.20 3k85 s LYS 6 CO -0.06 -0.29 -0.05 0.00 0.10 0.00 0.00 175.35 175.06 3k85 s ALA 7 N -1.14 0.35 0.42 0.59 0.00 -0.51 -2.01 121.76 119.46 3k85 s ALA 7 Ca -0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 3k85 s ALA 7 Cb -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 3k85 s ALA 7 CO 0.08 0.01 0.72 -1.25 0.00 0.00 0.00 175.76 175.33 3k85 s PRO 8 N -0.71 3.60 0.79 0.00 0.04 -1.26 -0.85 135.00 136.61 3k85 s PRO 8 Ca -0.04 0.17 -0.03 0.00 0.04 0.00 0.00 61.00 61.14 3k85 s PRO 8 Cb -0.05 -2.45 0.16 0.00 0.04 0.00 0.00 34.50 32.20 3k85 s PRO 8 CO -0.00 -0.07 1.08 -0.51 0.04 0.00 0.00 177.00 177.54 3k85 s LEU 9 N -4.34 2.90 0.15 -3.56 1.43 0.43 -4.50 118.68 111.19 3k85 s LEU 9 Ca 0.47 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 3k85 s LEU 9 Cb -0.10 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3k85 s LEU 9 CO 0.39 -2.16 0.21 0.00 0.23 0.00 0.00 176.35 175.02 3k85 s ARG 10 N -5.32 1.06 -0.12 1.70 1.04 -1.04 -1.06 118.95 115.22 3k85 s ARG 10 Ca 0.70 -1.24 -0.01 0.00 -1.04 0.00 0.00 55.73 54.13 3k85 s ARG 10 Cb -0.04 0.33 -0.02 0.00 -2.04 0.00 0.00 34.95 33.18 3k85 s ARG 10 CO 0.47 -0.36 -0.07 -0.51 -0.04 0.00 0.00 175.30 174.79 3k85 s LEU 11 N -2.98 3.09 -0.72 -1.89 1.02 -0.21 -4.57 118.68 112.42 3k85 s LEU 11 Ca 0.18 -0.15 -0.23 0.00 0.02 0.00 0.00 54.13 53.96 3k85 s LEU 11 Cb 0.05 -1.71 0.07 0.00 0.02 0.00 0.00 46.19 44.62 3k85 s LEU 11 CO -0.00 0.22 1.04 -0.83 0.02 0.00 0.00 176.35 176.80 3k85 s GLY 12 N 0.03 1.38 0.10 -3.19 0.00 -1.26 -2.33 107.32 102.04 3k85 s GLY 12 Ca -0.01 -1.92 -0.14 0.00 0.00 0.00 0.00 44.72 42.65 3k85 s GLY 12 CO 0.03 2.15 1.34 1.41 0.00 0.00 0.00 173.10 178.03 3k85 h LEU 13 N 11.49 0.85 -7.00 0.66 3.38 -1.70 -3.48 115.31 119.51 3k85 h LEU 13 Ca -0.21 -0.57 0.12 0.00 0.09 0.00 0.00 57.88 57.31 3k85 h LEU 13 Cb 1.06 -0.25 -0.17 0.00 0.09 0.00 0.00 40.66 41.39 3k85 h LEU 13 CO 1.19 1.27 0.54 0.00 0.09 0.00 0.00 178.44 181.54 3k85 s ALA 14 N -3.98 -1.88 0.00 1.53 0.00 -0.52 -4.96 121.76 111.96 3k85 s ALA 14 Ca -0.11 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3k85 s ALA 14 Cb 0.08 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3k85 s ALA 14 CO 0.87 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.44 3k85 n GLY 15 N -0.03 0.85 3.69 0.00 0.00 -1.17 -1.59 105.19 106.94 3k85 n GLY 15 Ca -0.08 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.39 3k85 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k85 n GLY 16 N -2.20 0.97 0.00 -0.02 0.00 -1.26 -1.41 105.19 101.28 3k85 n GLY 16 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.94 3k85 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k85 n GLY 17 N 4.43 1.79 0.02 -0.02 0.00 -1.26 -4.90 105.19 105.25 3k85 n GLY 17 Ca 0.27 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3k85 n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k85 n SER 18 N 0.07 0.07 0.01 1.61 3.41 -0.50 -1.81 113.62 116.49 3k85 n SER 18 Ca 0.00 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 3k85 n SER 18 Cb 0.00 -0.54 0.27 0.00 -0.26 0.00 0.00 64.21 63.69 3k85 n SER 18 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3k85 n ASP 19 N -1.58 0.49 -4.75 4.04 5.75 -1.26 -3.67 116.55 115.56 3k85 n ASP 19 Ca 0.02 -0.10 -0.40 0.00 -0.01 0.00 0.00 54.79 54.30 3k85 n ASP 19 Cb 0.12 0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 40.32 3k85 n ASP 19 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3k85 s VAL 20 N -3.03 4.42 0.45 2.12 1.01 -0.75 -4.01 120.40 120.61 3k85 s VAL 20 Ca 0.10 1.86 -0.18 0.00 0.00 0.00 0.00 61.98 63.76 3k85 s VAL 20 Cb 0.17 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 3k85 s VAL 20 CO 0.69 0.43 0.92 -0.44 0.00 0.00 0.00 175.10 176.70 3k85 s SER 21 N -0.61 6.77 0.02 3.32 0.01 -1.26 -0.65 113.70 121.30 3k85 s SER 21 Ca 0.40 1.55 0.28 0.00 1.31 0.00 0.00 55.95 59.50 3k85 s SER 21 Cb -0.23 -2.49 1.11 0.00 0.21 0.00 0.00 66.02 64.62 3k85 s SER 21 CO 0.28 -0.43 1.86 -0.81 0.41 0.00 0.00 173.24 174.55 3k85 n PRO 22 N -1.00 0.03 -0.30 12.44 -0.04 -1.26 -4.86 135.00 140.02 3k85 n PRO 22 Ca 0.06 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 3k85 n PRO 22 Cb 0.54 -1.53 0.29 0.00 -0.04 0.00 0.00 33.50 32.75 3k85 n PRO 22 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3k85 h TYR 23 N 0.00 0.57 -0.43 0.54 3.20 -1.75 0.20 116.97 119.30 3k85 h TYR 23 Ca 0.00 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3k85 h TYR 23 Cb 0.53 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 3k85 h TYR 23 CO 0.00 -0.07 -0.01 0.66 -1.64 0.00 0.00 178.16 177.11 3k85 h SER 24 N 0.36 0.67 0.63 -2.11 4.64 -0.96 -1.88 113.55 114.90 3k85 h SER 24 Ca 0.54 -0.15 -0.19 0.00 -0.47 0.00 0.00 61.79 61.51 3k85 h SER 24 Cb 1.02 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 3k85 h SER 24 CO -0.54 0.74 -0.87 0.44 -0.87 0.00 0.00 176.83 175.73 3k85 h ASP 25 N 0.66 0.21 0.00 4.97 3.32 -0.95 -0.93 116.42 123.71 3k85 h ASP 25 Ca 0.13 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3k85 h ASP 25 Cb 0.42 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3k85 h ASP 25 CO 0.02 0.98 -0.32 0.40 -1.72 0.00 0.00 179.24 178.60 3k85 h ILE 26 N 0.09 1.16 0.00 0.35 2.04 -0.92 -3.28 117.51 116.94 3k85 h ILE 26 Ca -0.04 -1.98 -0.23 0.00 1.00 0.00 0.00 64.86 63.61 3k85 h ILE 26 Cb 1.50 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 39.83 3k85 h ILE 26 CO 0.13 0.39 -2.23 -1.22 0.00 0.00 0.00 178.15 175.22 3k85 n TYR 27 N -4.60 0.00 0.00 1.37 4.01 -0.72 -4.93 117.16 112.28 3k85 n TYR 27 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3k85 n TYR 27 Cb 0.42 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 3k85 n TYR 27 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k85 n GLY 28 N 1.60 1.98 3.71 2.72 0.00 -0.35 -4.87 105.19 109.97 3k85 n GLY 28 Ca -0.22 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 3k85 n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k85 s GLY 29 N -0.07 1.58 -0.04 -0.02 0.00 0.46 -4.75 107.32 104.49 3k85 s GLY 29 Ca 0.00 -1.52 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 3k85 s GLY 29 CO 0.00 -1.57 0.07 1.08 0.00 0.00 0.00 173.10 172.68 3k85 s LEU 30 N -3.61 0.65 -0.01 0.66 1.43 -1.26 -1.64 118.68 114.90 3k85 s LEU 30 Ca 0.31 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3k85 s LEU 30 Cb -0.07 0.03 0.01 0.00 0.03 0.00 0.00 46.19 46.18 3k85 s LEU 30 CO 0.21 -0.18 -0.03 -0.63 0.23 0.00 0.00 176.35 175.96 3k85 s ILE 31 N 1.50 0.29 -0.25 -0.59 1.01 -1.26 -4.34 121.20 117.56 3k85 s ILE 31 Ca -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.53 3k85 s ILE 31 Cb -0.12 -0.28 0.06 0.00 0.01 0.00 0.00 42.46 42.13 3k85 s ILE 31 CO -0.04 0.11 -0.09 -0.22 0.00 0.00 0.00 174.94 174.70 3k85 s LEU 32 N 0.23 3.10 0.22 2.97 2.96 -0.62 -3.93 118.68 123.61 3k85 s LEU 32 Ca -0.02 -1.31 -0.00 0.00 -0.22 0.00 0.00 54.13 52.58 3k85 s LEU 32 Cb -0.05 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 3k85 s LEU 32 CO -0.00 -0.21 0.11 0.54 -1.32 0.00 0.00 176.35 175.47 3k85 s ASN 33 N 1.21 0.58 -0.16 3.68 2.20 -0.89 -1.44 114.94 120.12 3k85 s ASN 33 Ca -0.08 -1.38 -0.11 0.00 -0.94 0.00 0.00 52.86 50.35 3k85 s ASN 33 Cb -0.20 0.29 0.05 0.00 -2.00 0.00 0.00 41.25 39.39 3k85 s ASN 33 CO -0.05 -0.79 0.40 0.00 -2.94 0.00 0.00 177.10 173.71 3k85 s ALA 34 N -3.99 -1.00 0.55 3.54 0.00 -0.98 -1.20 121.76 118.67 3k85 s ALA 34 Ca 0.38 1.33 -0.18 0.00 0.00 0.00 0.00 51.96 53.50 3k85 s ALA 34 Cb 0.07 -0.80 -0.06 0.00 0.00 0.00 0.00 23.12 22.34 3k85 s ALA 34 CO 0.12 -0.23 1.05 0.95 0.00 0.00 0.00 175.76 177.65 3k85 s THR 35 N 0.88 3.85 0.24 0.00 -4.23 -0.97 -1.04 115.64 114.37 3k85 s THR 35 Ca -0.05 0.98 0.06 0.00 -1.18 0.00 0.00 61.69 61.50 3k85 s THR 35 Cb -0.06 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 3k85 s THR 35 CO -0.07 -0.41 -0.06 0.27 -0.54 0.00 0.00 174.62 173.81 3k85 s ILE 36 N -2.28 1.46 0.00 2.99 -4.36 -0.22 -1.59 121.20 117.20 3k85 s ILE 36 Ca 0.65 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3k85 s ILE 36 Cb -0.16 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.25 3k85 s ILE 36 CO 0.30 -0.39 0.44 -0.46 0.24 0.00 0.00 174.94 175.07 3k85 n ASN 37 N -0.47 1.29 -4.29 4.36 6.94 0.15 -3.81 115.26 119.43 3k85 n ASN 37 Ca -0.06 -0.88 -0.34 0.00 -0.02 0.00 0.00 54.58 53.28 3k85 n ASN 37 Cb 0.63 -0.23 -0.14 0.00 -2.36 0.00 0.00 39.78 37.68 3k85 n ASN 37 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3k85 s LEU 38 N 0.00 2.71 0.52 -4.53 1.02 -1.26 -4.93 118.68 112.21 3k85 s LEU 38 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.74 3k85 s LEU 38 Cb 0.00 -1.66 -0.00 0.00 0.02 0.00 0.00 46.19 44.54 3k85 s LEU 38 CO 0.00 0.03 0.03 -0.31 0.02 0.00 0.00 176.35 176.12 3k85 s TYR 39 N 1.19 1.80 -0.07 0.29 2.02 -1.26 -0.43 117.35 120.90 3k85 s TYR 39 Ca 0.02 -0.97 0.04 0.00 -0.37 0.00 0.00 57.07 55.80 3k85 s TYR 39 Cb -0.14 -1.62 -0.00 0.00 -0.40 0.00 0.00 41.96 39.79 3k85 s TYR 39 CO -0.03 0.16 -0.21 0.00 -1.57 0.00 0.00 175.55 173.91 3k85 s ALA 40 N -2.88 1.86 0.20 3.71 0.00 -0.03 -1.36 121.76 123.26 3k85 s ALA 40 Ca 0.06 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.28 3k85 s ALA 40 Cb 0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3k85 s ALA 40 CO 0.03 0.30 -0.20 0.71 0.00 0.00 0.00 175.76 176.61 3k85 s TYR 41 N 0.14 2.04 -0.25 0.00 2.02 -0.21 -1.43 117.35 119.66 3k85 s TYR 41 Ca -0.09 -0.42 -0.21 0.00 -0.37 0.00 0.00 57.07 55.98 3k85 s TYR 41 Cb -0.14 -0.97 0.07 0.00 -0.40 0.00 0.00 41.96 40.51 3k85 s TYR 41 CO 0.05 0.47 0.66 0.00 -1.57 0.00 0.00 175.55 175.15 3k85 s THR 43 N 0.72 0.90 -0.09 0.00 -1.32 -0.99 -0.73 115.64 114.14 3k85 s THR 43 Ca -0.03 -0.45 0.02 0.00 -1.21 0.00 0.00 61.69 60.02 3k85 s THR 43 Cb -0.05 -0.78 0.01 0.00 -1.51 0.00 0.00 72.50 70.17 3k85 s THR 43 CO -0.05 0.27 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.87 3k85 s ILE 44 N -0.00 1.25 -0.11 5.08 1.01 0.40 -1.41 121.20 127.41 3k85 s ILE 44 Ca -0.00 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3k85 s ILE 44 Cb -0.07 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.26 3k85 s ILE 44 CO 0.00 0.39 -0.12 -1.83 0.00 0.00 0.00 174.94 173.38 3k85 s GLU 45 N 0.91 1.93 0.53 2.79 -1.05 -0.52 -0.42 118.70 122.87 3k85 s GLU 45 Ca -0.09 -0.44 -0.20 0.00 -0.15 0.00 0.00 54.97 54.08 3k85 s GLU 45 Cb -0.15 -1.74 -0.06 0.00 -0.44 0.00 0.00 34.13 31.74 3k85 s GLU 45 CO 0.01 -0.13 1.13 -2.00 0.95 0.00 0.00 175.26 175.21 3k85 s GLU 46 N 1.20 3.42 0.06 -4.83 2.12 -1.26 -1.11 118.70 118.30 3k85 s GLU 46 Ca -0.03 1.61 -0.06 0.00 0.36 0.00 0.00 54.97 56.85 3k85 s GLU 46 Cb -0.14 -2.05 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 3k85 s GLU 46 CO -0.04 -0.79 0.10 -0.08 -0.54 0.00 0.00 175.26 173.91 3k85 s THR 47 N -1.77 0.16 -0.28 -1.70 -1.32 -0.42 -4.86 115.64 105.45 3k85 s THR 47 Ca 0.72 -1.28 0.11 0.00 -1.21 0.00 0.00 61.69 60.02 3k85 s THR 47 Cb -0.24 -1.19 0.58 0.00 -1.51 0.00 0.00 72.50 70.14 3k85 s THR 47 CO 0.27 -0.71 1.57 0.59 -2.21 0.00 0.00 174.62 174.13 3k85 n ASN 48 N 0.33 3.47 0.13 8.08 3.02 -1.26 -4.46 115.26 124.57 3k85 n ASN 48 Ca -0.16 -3.43 0.13 0.00 -0.03 0.00 0.00 54.58 51.08 3k85 n ASN 48 Cb 0.60 -0.65 0.29 0.00 -0.61 0.00 0.00 39.78 39.41 3k85 n ASN 48 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3k85 h SER 49 N 1.54 0.00 0.00 6.41 4.64 -1.97 -3.47 113.55 120.70 3k85 h SER 49 Ca 0.21 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3k85 h SER 49 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 3k85 h SER 49 CO 0.48 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 3k85 n GLY 50 N 1.25 0.46 3.59 -0.77 0.00 -1.26 -5.03 105.19 103.43 3k85 n GLY 50 Ca 0.05 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 3k85 n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k85 s ARG 51 N -1.11 1.91 -0.25 1.61 6.06 -1.26 -2.38 118.95 123.54 3k85 s ARG 51 Ca 0.00 -2.09 -0.03 0.00 -2.50 0.00 0.00 55.73 51.11 3k85 s ARG 51 Cb 0.00 -1.48 0.08 0.00 0.06 0.00 0.00 34.95 33.62 3k85 s ARG 51 CO 0.00 -0.09 0.09 -1.50 -2.50 0.00 0.00 175.30 171.30 3k85 s ILE 52 N -2.84 0.28 -0.20 4.11 2.07 -0.50 -1.81 121.20 122.32 3k85 s ILE 52 Ca 0.34 -0.73 -0.13 0.00 -1.41 0.00 0.00 60.65 58.71 3k85 s ILE 52 Cb 0.09 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 3k85 s ILE 52 CO 0.17 -0.50 0.27 -1.61 -1.91 0.00 0.00 174.94 171.36 3k85 s GLU 53 N 1.94 4.17 -0.21 3.50 2.02 -0.50 -1.71 118.70 127.91 3k85 s GLU 53 Ca 0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 54.97 55.00 3k85 s GLU 53 Cb -0.17 -3.50 -0.00 0.00 0.10 0.00 0.00 34.13 30.56 3k85 s GLU 53 CO -0.22 0.10 -0.08 0.42 0.02 0.00 0.00 175.26 175.50 3k85 s ILE 54 N 0.93 3.09 -0.58 -1.63 1.01 -0.31 -1.19 121.20 122.52 3k85 s ILE 54 Ca 0.14 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.24 3k85 s ILE 54 Cb -0.14 -2.39 0.16 0.00 0.01 0.00 0.00 42.46 40.11 3k85 s ILE 54 CO 0.05 0.45 0.39 0.21 0.00 0.00 0.00 174.94 176.04 3k85 s ASN 55 N 1.39 3.81 -0.53 3.58 2.47 -0.60 -1.93 114.94 123.14 3k85 s ASN 55 Ca 0.05 -3.39 -0.10 0.00 0.42 0.00 0.00 52.86 49.85 3k85 s ASN 55 Cb -0.14 -1.26 0.14 0.00 -1.45 0.00 0.00 41.25 38.53 3k85 s ASN 55 CO -0.05 -0.15 0.41 0.00 -3.72 0.00 0.00 177.10 173.60 3k85 s ALA 56 N -0.69 3.51 0.55 1.71 0.00 -0.12 -0.88 121.76 125.83 3k85 s ALA 56 Ca 0.25 -2.70 0.33 0.00 0.00 0.00 0.00 51.96 49.84 3k85 s ALA 56 Cb -0.08 -2.92 1.87 0.00 0.00 0.00 0.00 23.12 21.99 3k85 s ALA 56 CO -0.13 -1.98 2.23 1.88 0.00 0.00 0.00 175.76 177.77 3k85 h TYR 57 N 8.27 0.00 0.24 0.00 0.05 -0.21 0.88 116.97 126.21 3k85 h TYR 57 Ca -0.17 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.28 3k85 h TYR 57 Cb 1.06 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.83 3k85 h TYR 57 CO 0.70 0.03 -1.50 0.38 -1.05 0.00 0.00 178.16 176.71 3k85 h ASP 58 N 0.00 0.81 -0.06 3.88 2.03 -1.92 -3.21 116.42 117.95 3k85 h ASP 58 Ca -0.00 -0.89 0.00 0.00 -0.73 0.00 0.00 57.03 55.41 3k85 h ASP 58 Cb 0.11 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.34 3k85 h ASP 58 CO 0.00 1.70 0.00 0.00 -1.03 0.00 0.00 179.24 179.92 3k85 n ALA 59 N -2.72 2.56 -3.77 4.15 0.00 -1.00 -4.93 120.51 114.79 3k85 n ALA 59 Ca -0.17 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.57 3k85 n ALA 59 Cb 1.10 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 19.43 3k85 n ALA 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3k85 n GLN 60 N 0.22 -4.47 -4.20 0.00 6.02 0.23 -4.64 117.38 110.53 3k85 n GLN 60 Ca 0.18 0.56 -0.16 0.00 -0.01 0.00 0.00 57.00 57.57 3k85 n GLN 60 Cb 0.35 -5.00 -0.14 0.00 1.02 0.00 0.00 30.24 26.47 3k85 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k85 s LYS 63 N 0.59 0.88 -0.01 0.00 1.02 -0.81 -4.99 119.74 116.42 3k85 s LYS 63 Ca 0.29 -1.15 0.01 0.00 0.02 0.00 0.00 55.97 55.13 3k85 s LYS 63 Cb -0.02 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 3k85 s LYS 63 CO -0.12 0.11 0.02 0.45 -0.92 0.00 0.00 175.35 174.89 3k85 s SER 64 N -2.36 5.24 0.06 2.83 0.15 -1.26 -1.17 113.70 117.18 3k85 s SER 64 Ca 0.05 0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.75 3k85 s SER 64 Cb -0.04 -1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 62.83 3k85 s SER 64 CO 0.01 0.29 -0.06 -0.31 1.20 0.00 0.00 173.24 174.37 3k85 s TYR 65 N -1.08 0.68 0.05 3.44 2.02 -0.69 -5.00 117.35 116.76 3k85 s TYR 65 Ca 0.19 -0.72 -0.31 0.00 -0.37 0.00 0.00 57.07 55.86 3k85 s TYR 65 Cb -0.12 -0.42 -0.06 0.00 -0.40 0.00 0.00 41.96 40.97 3k85 s TYR 65 CO 0.10 -0.16 1.24 -0.51 -1.57 0.00 0.00 175.55 174.65 3k85 s LEU 66 N -2.26 4.35 0.34 -1.29 1.43 -1.26 -1.40 118.68 118.59 3k85 s LEU 66 Ca -0.01 2.04 -0.27 0.00 -1.03 0.00 0.00 54.13 54.86 3k85 s LEU 66 Cb -0.02 -3.58 -0.13 0.00 0.03 0.00 0.00 46.19 42.50 3k85 s LEU 66 CO -0.03 -0.53 1.07 -0.24 0.23 0.00 0.00 176.35 176.85 3k85 n SER 67 N 4.24 1.63 -0.08 2.29 2.88 -1.00 -4.82 113.62 118.76 3k85 n SER 67 Ca 0.10 1.15 -0.08 0.00 -1.33 0.00 0.00 58.87 58.70 3k85 n SER 67 Cb 0.46 -1.35 -0.11 0.00 -0.75 0.00 0.00 64.21 62.45 3k85 n SER 67 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3k85 n SER 69 N 0.93 1.60 -4.15 -3.46 7.64 -1.26 -4.91 113.62 110.02 3k85 n SER 69 Ca 0.08 -0.02 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 3k85 n SER 69 Cb 0.35 0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 64.10 3k85 n SER 69 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3k85 s GLN 70 N -2.36 0.76 -0.08 1.43 -1.52 -1.26 -4.81 119.66 111.83 3k85 s GLN 70 Ca -0.10 -1.16 0.02 0.00 -1.95 0.00 0.00 55.36 52.18 3k85 s GLN 70 Cb 0.05 -0.30 0.01 0.00 -0.22 0.00 0.00 33.01 32.55 3k85 s GLN 70 CO 0.57 0.02 -0.15 -0.51 -0.25 0.00 0.00 175.29 174.97 3k85 s LEU 71 N -2.56 1.74 0.19 2.90 1.43 -1.26 -5.09 118.68 116.03 3k85 s LEU 71 Ca 0.05 -0.37 -0.32 0.00 -1.03 0.00 0.00 54.13 52.46 3k85 s LEU 71 Cb -0.00 -0.98 -0.11 0.00 0.03 0.00 0.00 46.19 45.12 3k85 s LEU 71 CO -0.02 0.05 1.70 -1.83 0.23 0.00 0.00 176.35 176.48 3k85 s GLU 72 N 0.66 4.15 -1.10 1.70 1.03 -1.26 -4.88 118.70 118.99 3k85 s GLU 72 Ca -0.14 2.55 -0.22 0.00 0.03 0.00 0.00 54.97 57.18 3k85 s GLU 72 Cb -0.16 -3.15 -0.01 0.00 -0.80 0.00 0.00 34.13 30.01 3k85 s GLU 72 CO 0.04 -0.73 1.77 0.42 -1.33 0.00 0.00 175.26 175.43 3k85 s ILE 73 N 1.34 3.75 0.21 1.83 1.09 -1.26 -4.73 121.20 123.43 3k85 s ILE 73 Ca 0.74 -0.97 -0.06 0.00 -1.10 0.00 0.00 60.65 59.26 3k85 s ILE 73 Cb -0.48 -4.70 0.08 0.00 -1.06 0.00 0.00 42.46 36.31 3k85 s ILE 73 CO 0.32 -1.46 1.68 0.44 -0.10 0.00 0.00 174.94 175.82 3k85 h ASP 74 N 9.64 0.92 0.00 3.58 3.32 -1.97 -3.46 116.42 128.46 3k85 h ASP 74 Ca 0.24 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3k85 h ASP 74 Cb 0.96 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3k85 h ASP 74 CO 1.33 0.99 0.00 0.61 -1.72 0.00 0.00 179.24 180.45 3k85 n GLY 75 N -0.48 0.93 3.08 2.75 0.00 -1.26 -5.11 105.19 105.10 3k85 n GLY 75 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3k85 n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k85 s GLU 76 N 0.00 2.29 -1.38 1.61 2.02 -1.26 -4.70 118.70 117.28 3k85 s GLU 76 Ca 0.00 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.34 3k85 s GLU 76 Cb 0.00 -1.90 0.03 0.00 0.10 0.00 0.00 34.13 32.36 3k85 s GLU 76 CO 0.00 -0.03 0.90 0.00 0.02 0.00 0.00 175.26 176.16 3k85 n ALA 77 N 4.08 -1.67 0.05 5.21 0.00 -1.26 -4.87 120.51 122.04 3k85 n ALA 77 Ca -0.20 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 3k85 n ALA 77 Cb 0.51 -3.36 -0.06 0.00 0.00 0.00 0.00 19.45 16.54 3k85 n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3k85 h SER 78 N -2.07 -0.13 -0.50 0.00 0.02 -1.97 -1.23 113.55 107.68 3k85 h SER 78 Ca -0.59 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 60.48 3k85 h SER 78 Cb 1.36 0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.87 3k85 h SER 78 CO 0.59 -0.07 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.05 3k85 h LEU 79 N -0.08 -0.40 -0.31 5.07 4.07 -1.99 1.22 115.31 122.89 3k85 h LEU 79 Ca 0.02 0.14 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 3k85 h LEU 79 Cb 0.10 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 3k85 h LEU 79 CO -0.05 -0.14 0.08 0.40 -1.08 0.00 0.00 178.44 177.65 3k85 h ILE 80 N 0.02 1.22 -0.49 1.22 2.04 -1.91 -1.73 117.51 117.88 3k85 h ILE 80 Ca 0.24 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 3k85 h ILE 80 Cb 0.37 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3k85 h ILE 80 CO -0.49 0.24 0.21 0.11 0.00 0.00 0.00 178.15 178.22 3k85 h LYS 81 N 0.34 0.71 -0.19 2.37 1.57 -0.25 0.27 116.57 121.40 3k85 h LYS 81 Ca 0.10 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3k85 h LYS 81 Cb 0.29 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3k85 h LYS 81 CO 0.00 0.62 0.02 0.78 -0.57 0.00 0.00 179.45 180.31 3k85 h GLY 82 N 0.64 0.19 0.85 3.86 0.00 0.16 0.82 103.07 109.59 3k85 h GLY 82 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3k85 h GLY 82 CO -0.02 -0.01 -0.06 -2.08 0.00 0.00 0.00 176.54 174.37 3k85 h VAL 83 N 0.09 0.95 -0.77 4.60 2.07 -1.15 -1.20 116.25 120.84 3k85 h VAL 83 Ca 0.09 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.37 3k85 h VAL 83 Cb 0.09 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3k85 h VAL 83 CO -0.13 0.08 0.41 0.22 0.02 0.00 0.00 177.57 178.18 3k85 h TYR 84 N -0.33 0.75 0.08 1.57 3.20 -0.80 -0.85 116.97 120.59 3k85 h TYR 84 Ca -0.02 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3k85 h TYR 84 Cb 0.26 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3k85 h TYR 84 CO -0.02 0.29 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.84 3k85 h ASN 85 N 0.69 -0.09 -0.77 -2.11 2.35 -0.65 -1.65 115.58 113.35 3k85 h ASN 85 Ca 0.38 -0.22 0.11 0.00 -0.55 0.00 0.00 56.30 56.01 3k85 h ASN 85 Cb 0.37 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.69 3k85 h ASN 85 CO -0.26 0.17 0.40 -0.09 -1.65 0.00 0.00 177.43 176.01 3k85 h ARG 86 N -0.36 0.64 -0.26 0.81 9.65 -0.92 0.06 114.38 123.99 3k85 h ARG 86 Ca -0.01 -0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 58.68 3k85 h ARG 86 Cb 0.31 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3k85 h ARG 86 CO 0.02 0.42 -0.44 0.82 2.80 0.00 0.00 179.97 183.59 3k85 h ILE 87 N 0.66 1.30 -0.65 1.20 1.08 -1.11 0.20 117.51 120.18 3k85 h ILE 87 Ca 0.39 -1.63 -0.07 0.00 -0.39 0.00 0.00 64.86 63.16 3k85 h ILE 87 Cb 0.43 1.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 3k85 h ILE 87 CO -0.29 0.52 0.15 0.40 -0.69 0.00 0.00 178.15 178.25 3k85 h ILE 88 N 0.54 1.26 0.45 -0.67 1.08 -0.35 -2.59 117.51 117.23 3k85 h ILE 88 Ca 0.04 -0.95 -0.02 0.00 -0.39 0.00 0.00 64.86 63.53 3k85 h ILE 88 Cb 0.98 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 3k85 h ILE 88 CO 0.09 0.36 -0.22 0.03 -0.69 0.00 0.00 178.15 177.72 3k85 h ARG 89 N 0.97 -0.59 -0.96 2.37 3.08 -0.88 -0.92 114.38 117.46 3k85 h ARG 89 Ca 0.20 0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.54 3k85 h ARG 89 Cb 0.37 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 3k85 h ARG 89 CO 0.00 -0.39 0.65 -0.44 -1.07 0.00 0.00 179.97 178.72 3k85 h ASP 90 N -1.06 0.26 -0.28 7.04 5.19 -1.04 -0.69 116.42 125.85 3k85 h ASP 90 Ca -0.06 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3k85 h ASP 90 Cb 0.47 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.97 3k85 h ASP 90 CO 0.10 0.08 0.00 -1.22 -3.12 0.00 0.00 179.24 175.08 3k85 n TYR 91 N -4.44 0.36 -3.95 4.55 4.01 -0.98 -4.99 117.16 111.73 3k85 n TYR 91 Ca 0.21 -0.31 -0.29 0.00 -0.16 0.00 0.00 57.90 57.35 3k85 n TYR 91 Cb 0.87 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.88 3k85 n TYR 91 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3k85 n ARG 92 N 0.79 -2.27 -3.55 -0.72 1.74 -0.27 -4.95 116.66 107.44 3k85 n ARG 92 Ca 0.12 0.35 -0.28 0.00 -0.77 0.00 0.00 57.85 57.27 3k85 n ARG 92 Cb 0.43 -4.13 -0.03 0.00 -1.02 0.00 0.00 32.46 27.71 3k85 n ARG 92 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k85 s LEU 93 N -6.95 4.15 0.65 0.55 1.43 -0.53 -5.04 118.68 112.94 3k85 s LEU 93 Ca 0.16 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.63 3k85 s LEU 93 Cb -0.06 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 3k85 s LEU 93 CO 0.90 -0.11 1.08 -1.61 0.23 0.00 0.00 176.35 176.84 3k85 s GLU 94 N -3.46 2.99 0.39 1.70 2.02 -1.26 -4.91 118.70 116.18 3k85 s GLU 94 Ca 0.41 1.21 -0.23 0.00 0.02 0.00 0.00 54.97 56.37 3k85 s GLU 94 Cb -0.11 -1.99 -0.13 0.00 0.10 0.00 0.00 34.13 32.01 3k85 s GLU 94 CO 0.30 -1.08 0.64 -2.30 0.02 0.00 0.00 175.26 172.83 3k85 n PRO 95 N -2.49 0.68 -4.34 0.39 -0.02 -1.26 -4.98 135.00 122.98 3k85 n PRO 95 Ca 0.09 0.25 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 3k85 n PRO 95 Cb 0.53 -1.56 -0.11 0.00 -0.02 0.00 0.00 33.50 32.34 3k85 n PRO 95 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3k85 s LYS 96 N -1.58 2.08 -0.20 -0.52 3.01 -1.26 -5.03 119.74 116.24 3k85 s LYS 96 Ca 0.63 -1.02 0.02 0.00 -1.01 0.00 0.00 55.97 54.58 3k85 s LYS 96 Cb -0.63 -2.26 0.03 0.00 -1.01 0.00 0.00 37.83 33.96 3k85 s LYS 96 CO 0.58 0.52 -0.16 0.45 0.51 0.00 0.00 175.35 177.25 3k85 s SER 97 N -1.98 3.51 0.21 2.83 0.15 -1.26 -4.74 113.70 112.42 3k85 s SER 97 Ca 0.19 -0.88 -0.23 0.00 0.70 0.00 0.00 55.95 55.73 3k85 s SER 97 Cb -0.11 -1.46 0.04 0.00 -1.71 0.00 0.00 66.02 62.79 3k85 s SER 97 CO 0.11 -0.07 0.82 0.72 1.20 0.00 0.00 173.24 176.01 3k85 s PHE 98 N 1.26 -0.19 -0.10 3.44 -0.12 -0.75 -1.30 117.98 120.23 3k85 s PHE 98 Ca 0.00 -0.19 0.01 0.00 -0.05 0.00 0.00 56.93 56.71 3k85 s PHE 98 Cb -0.15 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 3k85 s PHE 98 CO -0.10 -1.03 -0.13 0.21 -0.05 0.00 0.00 175.22 174.13 3k85 s LYS 99 N -3.62 3.03 -0.05 1.99 2.20 -0.27 -1.41 119.74 121.62 3k85 s LYS 99 Ca 0.11 -0.67 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 3k85 s LYS 99 Cb -0.04 -2.55 0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3k85 s LYS 99 CO 0.04 0.39 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.92 3k85 s ILE 100 N -0.12 0.29 0.01 5.43 2.07 -0.33 -1.44 121.20 127.12 3k85 s ILE 100 Ca -0.01 0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 3k85 s ILE 100 Cb -0.14 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.01 3k85 s ILE 100 CO 0.03 0.20 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.33 3k85 s THR 101 N 1.42 3.78 -0.10 4.00 2.01 -0.50 -1.55 115.64 124.70 3k85 s THR 101 Ca -0.04 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 3k85 s THR 101 Cb -0.13 -2.67 0.03 0.00 0.01 0.00 0.00 72.50 69.75 3k85 s THR 101 CO -0.03 0.37 0.27 -0.89 -0.69 0.00 0.00 174.62 173.65 3k85 s THR 102 N -1.04 -0.01 0.02 -0.82 2.01 -0.06 -2.36 115.64 113.38 3k85 s THR 102 Ca 0.18 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.97 3k85 s THR 102 Cb -0.11 -0.39 0.06 0.00 0.01 0.00 0.00 72.50 72.07 3k85 s THR 102 CO 0.09 0.02 0.58 -0.72 -0.69 0.00 0.00 174.62 173.90 3k85 s TYR 103 N 0.51 -0.52 0.21 4.92 -0.85 -1.14 0.49 117.35 120.97 3k85 s TYR 103 Ca -0.03 0.71 0.09 0.00 -0.52 0.00 0.00 57.07 57.32 3k85 s TYR 103 Cb -0.05 0.39 -0.05 0.00 0.38 0.00 0.00 41.96 42.63 3k85 s TYR 103 CO -0.03 -0.64 -0.17 1.21 -1.52 0.00 0.00 175.55 174.40 3k85 s ASN 104 N -1.72 2.86 0.00 -0.18 3.84 -1.26 -1.04 114.94 117.44 3k85 s ASN 104 Ca -0.07 -0.99 0.24 0.00 0.21 0.00 0.00 52.86 52.25 3k85 s ASN 104 Cb -0.01 -0.18 0.55 0.00 -0.55 0.00 0.00 41.25 41.06 3k85 s ASN 104 CO 0.02 -0.09 1.46 0.47 -2.79 0.00 0.00 177.10 176.17 3k85 n ASP 105 N -0.28 2.58 -3.83 -4.21 8.00 -0.46 -4.90 116.55 113.45 3k85 n ASP 105 Ca -0.08 -1.85 -0.12 0.00 0.71 0.00 0.00 54.79 53.44 3k85 n ASP 105 Cb 0.59 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.45 3k85 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k85 s ALA 106 N -1.77 -0.18 1.39 2.24 0.00 -1.26 -4.96 121.76 117.22 3k85 s ALA 106 Ca 0.34 0.26 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 3k85 s ALA 106 Cb 0.20 -0.16 0.36 0.00 0.00 0.00 0.00 23.12 23.52 3k85 s ALA 106 CO 0.30 -0.05 0.93 -1.25 0.00 0.00 0.00 175.76 175.69 3k85 s PRO 107 N 0.19 -2.69 0.11 0.00 0.04 -1.26 -4.96 135.00 126.43 3k85 s PRO 107 Ca -0.01 0.31 -0.33 0.00 0.04 0.00 0.00 61.00 61.01 3k85 s PRO 107 Cb -0.02 -1.39 -0.13 0.00 0.04 0.00 0.00 34.50 32.99 3k85 s PRO 107 CO -0.01 -4.76 1.54 0.00 0.04 0.00 0.00 177.00 173.81 3k85 h ALA 108 N -3.34 -0.94 0.08 8.56 0.00 -2.02 -3.34 119.26 118.26 3k85 h ALA 108 Ca -0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3k85 h ALA 108 Cb 1.34 0.94 0.00 0.00 0.00 0.00 0.00 17.79 20.08 3k85 h ALA 108 CO 0.33 -1.10 -0.04 0.78 0.00 0.00 0.00 179.25 179.22 3k85 h GLY 109 N -0.66 -0.12 0.00 0.00 0.00 -1.94 -3.45 103.07 96.91 3k85 h GLY 109 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3k85 h GLY 109 CO -0.35 -0.04 0.00 1.44 0.00 0.00 0.00 176.54 177.59 3k85 n SER 110 N -2.55 0.00 0.00 0.19 7.64 -1.26 -4.44 113.62 113.21 3k85 n SER 110 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3k85 n SER 110 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 3k85 n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k85 n GLY 111 N 0.00 1.95 0.02 0.23 0.00 -1.21 -4.42 105.19 101.76 3k85 n GLY 111 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3k85 n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k85 n LEU 112 N 0.00 1.85 -1.06 0.99 4.77 -1.26 -4.69 117.00 117.60 3k85 n LEU 112 Ca 0.00 -1.97 -0.07 0.00 -0.03 0.00 0.00 56.01 53.94 3k85 n LEU 112 Cb 0.00 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3k85 n LEU 112 CO 0.00 0.48 -0.02 0.61 -1.33 0.00 0.00 177.39 177.14 3k85 n GLY 113 N -0.59 0.26 0.35 -0.72 0.00 -1.26 -2.48 105.19 100.75 3k85 n GLY 113 Ca 0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 3k85 n GLY 113 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3k85 h THR 114 N -0.36 0.17 0.26 2.61 2.02 -1.88 -0.51 112.91 115.22 3k85 h THR 114 Ca -0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3k85 h THR 114 Cb 1.12 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3k85 h THR 114 CO 0.18 0.00 -0.29 -1.28 0.37 0.00 0.00 175.52 174.51 3k85 h SER 115 N -0.19 -0.78 -0.93 4.18 0.87 -1.92 -2.83 113.55 111.96 3k85 h SER 115 Ca 0.22 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3k85 h SER 115 Cb 0.55 0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 3k85 h SER 115 CO -0.65 -0.40 0.57 0.28 -0.53 0.00 0.00 176.83 176.09 3k85 h SER 116 N -0.59 1.11 0.00 6.23 0.02 -1.86 -1.16 113.55 117.30 3k85 h SER 116 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3k85 h SER 116 Cb 0.55 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3k85 h SER 116 CO -0.08 0.84 0.00 0.41 -1.14 0.00 0.00 176.83 176.86 3k85 n THR 117 N -4.38 0.00 0.00 -2.27 -1.04 -0.22 -1.41 114.28 104.95 3k85 n THR 117 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3k85 n THR 117 Cb 0.05 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 3k85 n THR 117 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3k85 n VAL 119 N 0.64 0.00 -0.02 12.58 0.31 -0.44 -0.94 118.33 130.45 3k85 n VAL 119 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3k85 n VAL 119 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 3k85 n VAL 119 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3k85 h VAL 120 N 0.00 1.05 -0.23 2.52 2.07 -1.50 0.73 116.25 120.89 3k85 h VAL 120 Ca 0.00 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3k85 h VAL 120 Cb 0.00 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3k85 h VAL 120 CO 0.00 0.05 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 3k85 h ILE 122 N -0.01 1.11 -0.53 0.00 2.04 -1.76 -1.14 117.51 117.23 3k85 h ILE 122 Ca 0.11 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3k85 h ILE 122 Cb 0.18 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 3k85 h ILE 122 CO -0.25 0.14 0.27 -0.07 0.00 0.00 0.00 178.15 178.24 3k85 h LEU 123 N 0.75 0.38 -1.06 1.44 3.38 -0.03 -1.43 115.31 118.75 3k85 h LEU 123 Ca 0.22 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.26 3k85 h LEU 123 Cb -0.04 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3k85 h LEU 123 CO -0.07 0.26 0.63 0.11 0.09 0.00 0.00 178.44 179.47 3k85 h LYS 124 N 0.52 1.19 -0.28 1.13 1.79 0.13 0.37 116.57 121.42 3k85 h LYS 124 Ca 0.23 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 3k85 h LYS 124 Cb 0.14 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3k85 h LYS 124 CO -0.16 0.79 0.10 0.00 -1.08 0.00 0.00 179.45 179.09 3k85 h ALA 125 N 1.43 0.36 -0.50 3.86 0.00 -0.32 -0.05 119.26 124.04 3k85 h ALA 125 Ca 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3k85 h ALA 125 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3k85 h ALA 125 CO -0.11 -0.02 0.26 0.74 0.00 0.00 0.00 179.25 180.12 3k85 h PHE 126 N 0.29 0.70 -0.19 0.00 0.04 -0.48 0.29 116.94 117.60 3k85 h PHE 126 Ca 0.09 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.86 3k85 h PHE 126 Cb 0.21 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 3k85 h PHE 126 CO -0.00 0.53 0.05 0.82 -0.60 0.00 0.00 178.31 179.11 3k85 h ILE 127 N 0.66 0.93 -0.20 -0.55 2.04 -0.07 0.69 117.51 121.01 3k85 h ILE 127 Ca 0.17 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3k85 h ILE 127 Cb 0.07 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3k85 h ILE 127 CO -0.03 0.02 0.13 -0.08 0.00 0.00 0.00 178.15 178.20 3k85 h GLU 128 N 0.13 0.27 0.41 2.37 4.57 -0.79 0.90 114.58 122.44 3k85 h GLU 128 Ca 0.08 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3k85 h GLU 128 Cb 0.07 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3k85 h GLU 128 CO -0.10 0.20 -0.43 2.35 -1.18 0.00 0.00 179.01 179.85 3k85 h TRP 129 N 0.27 -1.19 -0.69 0.92 -0.00 0.14 -3.23 115.95 112.17 3k85 h TRP 129 Ca 0.07 0.01 -0.14 0.00 -0.00 0.00 0.00 58.89 58.83 3k85 h TRP 129 Cb -0.01 0.46 -0.09 0.00 -0.00 0.00 0.00 29.16 29.53 3k85 h TRP 129 CO -0.06 -0.59 0.18 1.28 -0.00 0.00 0.00 178.44 179.26 3k85 n LEU 130 N -5.52 6.02 -4.33 0.65 4.77 0.23 -4.95 117.00 113.89 3k85 n LEU 130 Ca -0.11 -3.13 -0.32 0.00 -0.03 0.00 0.00 56.01 52.42 3k85 n LEU 130 Cb 0.42 -0.73 -0.09 0.00 -2.33 0.00 0.00 43.42 40.68 3k85 n LEU 130 CO 0.27 0.75 -0.42 -1.20 -1.33 0.00 0.00 177.39 175.46 3k85 n SER 131 N 0.12 0.49 -4.77 -1.43 7.64 0.26 -4.88 113.62 111.06 3k85 n SER 131 Ca 0.37 -1.26 -0.39 0.00 1.01 0.00 0.00 58.87 58.60 3k85 n SER 131 Cb 1.34 -1.69 -0.04 0.00 -1.01 0.00 0.00 64.21 62.80 3k85 n SER 131 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k85 s LEU 132 N -7.35 4.41 -1.57 -3.43 1.43 -0.91 -4.94 118.68 106.32 3k85 s LEU 132 Ca 0.11 2.20 -0.10 0.00 -1.03 0.00 0.00 54.13 55.31 3k85 s LEU 132 Cb -0.06 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 3k85 s LEU 132 CO 1.00 -0.27 2.96 -0.81 0.23 0.00 0.00 176.35 179.45 3k85 n PRO 133 N 0.76 3.62 -4.05 1.29 -0.04 -1.26 -4.87 135.00 130.45 3k85 n PRO 133 Ca 0.01 -2.15 -0.31 0.00 -0.04 0.00 0.00 63.50 61.01 3k85 n PRO 133 Cb 0.46 -2.77 -0.16 0.00 -0.04 0.00 0.00 33.50 30.99 3k85 n PRO 133 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k85 s LEU 134 N 0.16 2.29 0.00 1.53 1.43 -1.26 -5.07 118.68 117.77 3k85 s LEU 134 Ca 0.69 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3k85 s LEU 134 Cb 0.18 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 45.06 3k85 s LEU 134 CO -0.06 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3k85 n GLY 135 N 4.65 1.60 0.20 -3.19 0.00 -1.26 -4.75 105.19 102.43 3k85 n GLY 135 Ca -0.17 -2.07 -0.06 0.00 0.00 0.00 0.00 46.02 43.71 3k85 n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k85 h ASP 136 N 0.00 -0.75 -0.51 1.61 3.32 -1.99 0.15 116.42 118.25 3k85 h ASP 136 Ca 0.00 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.24 3k85 h ASP 136 Cb 0.00 0.29 -0.09 0.00 0.22 0.00 0.00 39.33 39.76 3k85 h ASP 136 CO 0.00 -0.20 -0.01 1.88 -1.72 0.00 0.00 179.24 179.19 3k85 h TYR 137 N -0.24 -0.05 -0.87 4.55 0.05 -1.96 -1.33 116.97 117.11 3k85 h TYR 137 Ca 0.02 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 3k85 h TYR 137 Cb 0.29 0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 3k85 h TYR 137 CO -0.52 -0.13 0.45 0.93 -1.05 0.00 0.00 178.16 177.84 3k85 h GLU 138 N 0.10 1.23 -0.40 4.88 3.07 -1.86 -2.35 114.58 119.25 3k85 h GLU 138 Ca 0.26 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 3k85 h GLU 138 Cb 0.39 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3k85 h GLU 138 CO -0.44 0.92 0.05 1.15 -1.40 0.00 0.00 179.01 179.30 3k85 h THR 139 N 1.22 1.24 0.09 1.13 2.02 0.04 0.04 112.91 118.70 3k85 h THR 139 Ca 0.30 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 3k85 h THR 139 Cb 0.07 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3k85 h THR 139 CO -0.04 0.30 -0.04 0.28 0.37 0.00 0.00 175.52 176.39 3k85 h SER 140 N 0.51 -0.10 -0.55 4.18 0.02 -1.17 -0.54 113.55 115.90 3k85 h SER 140 Ca 0.12 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3k85 h SER 140 Cb 0.39 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 3k85 h SER 140 CO 0.01 0.03 0.36 -0.09 -1.14 0.00 0.00 176.83 175.99 3k85 h ARG 141 N -0.23 0.71 -0.37 3.45 2.43 -1.38 -0.23 114.38 118.76 3k85 h ARG 141 Ca -0.01 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3k85 h ARG 141 Cb 0.19 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3k85 h ARG 141 CO 0.02 0.47 0.03 1.25 -1.51 0.00 0.00 179.97 180.23 3k85 h LEU 142 N 0.73 0.53 -0.42 3.80 5.85 -0.86 -1.02 115.31 123.92 3k85 h LEU 142 Ca 0.21 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 3k85 h LEU 142 Cb -0.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3k85 h LEU 142 CO -0.05 0.58 -0.24 0.00 -0.34 0.00 0.00 178.44 178.39 3k85 h ALA 143 N 1.49 0.59 -0.59 1.25 0.00 -0.32 -1.03 119.26 120.65 3k85 h ALA 143 Ca 0.12 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3k85 h ALA 143 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3k85 h ALA 143 CO 0.01 0.58 0.09 -0.92 0.00 0.00 0.00 179.25 179.01 3k85 h TYR 144 N 0.72 1.01 -0.28 0.00 3.20 -0.70 -1.97 116.97 118.96 3k85 h TYR 144 Ca 0.09 -0.13 -0.17 0.00 3.14 0.00 0.00 58.73 61.66 3k85 h TYR 144 Cb 0.81 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3k85 h TYR 144 CO 0.06 0.86 -0.50 0.93 -1.64 0.00 0.00 178.16 177.87 3k85 h GLU 145 N 0.90 0.77 -0.12 1.82 5.08 -0.97 0.48 114.58 122.54 3k85 h GLU 145 Ca 0.18 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3k85 h GLU 145 Cb 0.41 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3k85 h GLU 145 CO 0.01 1.09 -0.02 0.82 -1.00 0.00 0.00 179.01 179.91 3k85 h ILE 146 N 0.61 1.28 0.16 3.13 2.04 -1.05 -1.75 117.51 121.92 3k85 h ILE 146 Ca 0.03 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3k85 h ILE 146 Cb 1.08 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3k85 h ILE 146 CO 0.11 0.27 -0.08 -0.08 0.00 0.00 0.00 178.15 178.37 3k85 h GLU 147 N -0.08 -0.20 -0.22 2.37 4.81 -1.39 -1.68 114.58 118.18 3k85 h GLU 147 Ca 0.03 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 3k85 h GLU 147 Cb 0.43 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3k85 h GLU 147 CO 0.01 0.22 -0.65 0.00 -0.73 0.00 0.00 179.01 177.85 3k85 h ARG 148 N -0.73 0.81 0.00 1.92 2.47 -1.01 -2.65 114.38 115.20 3k85 h ARG 148 Ca -0.02 -0.58 0.00 0.00 -1.26 0.00 0.00 59.98 58.12 3k85 h ARG 148 Cb 0.51 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 3k85 h ARG 148 CO 0.04 1.20 0.00 1.63 0.56 0.00 0.00 179.97 183.40 3k85 n LYS 149 N -3.97 0.00 -0.43 0.04 4.76 -0.70 -3.36 118.16 114.49 3k85 n LYS 149 Ca -0.06 0.06 0.36 0.00 -2.87 0.00 0.00 58.31 55.81 3k85 n LYS 149 Cb 0.68 -0.50 0.68 0.00 -1.84 0.00 0.00 35.03 34.05 3k85 n LYS 149 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3k85 h ASP 150 N 0.00 0.17 -0.02 4.39 5.19 -1.32 0.02 116.42 124.85 3k85 h ASP 150 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3k85 h ASP 150 Cb 0.00 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.55 3k85 h ASP 150 CO 0.00 -0.04 0.00 0.18 -3.12 0.00 0.00 179.24 176.26 3k85 n LEU 151 N -4.40 1.72 0.00 1.55 4.77 -0.64 -5.00 117.00 114.99 3k85 n LEU 151 Ca 0.33 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3k85 n LEU 151 Cb 1.37 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.45 3k85 n LEU 151 CO 0.32 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3k85 n GLY 152 N 0.44 1.30 3.64 -0.72 0.00 -0.01 -4.95 105.19 104.88 3k85 n GLY 152 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3k85 n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k85 n LEU 153 N 0.00 2.53 -4.99 0.99 4.77 -1.00 -4.88 117.00 114.42 3k85 n LEU 153 Ca 0.00 1.16 -0.20 0.00 -0.03 0.00 0.00 56.01 56.95 3k85 n LEU 153 Cb 0.00 -1.36 0.02 0.00 -2.33 0.00 0.00 43.42 39.75 3k85 n LEU 153 CO 0.00 -0.88 0.23 -0.94 -1.33 0.00 0.00 177.39 174.47 3k85 s SER 154 N -0.07 5.60 0.00 -1.43 1.04 -1.26 -3.89 113.70 113.69 3k85 s SER 154 Ca 0.65 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.93 3k85 s SER 154 Cb -0.69 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 64.48 3k85 s SER 154 CO 0.55 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.55 3k85 n GLY 155 N -2.02 0.85 0.00 7.32 0.00 -1.26 -5.01 105.19 105.07 3k85 n GLY 155 Ca 0.06 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3k85 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k85 n GLY 156 N -1.77 0.21 0.00 -0.02 0.00 -1.26 -4.78 105.19 97.56 3k85 n GLY 156 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3k85 n GLY 156 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k85 n LYS 157 N 0.00 1.62 -0.35 1.61 5.02 -1.26 -4.81 118.16 120.00 3k85 n LYS 157 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 3k85 n LYS 157 Cb 0.00 -0.87 0.28 0.00 -0.02 0.00 0.00 35.03 34.42 3k85 n LYS 157 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 3k85 h GLN 158 N 0.00 0.80 -0.26 1.97 3.07 -1.97 -2.87 115.11 115.84 3k85 h GLN 158 Ca 0.00 -0.05 0.04 0.00 0.09 0.00 0.00 58.65 58.73 3k85 h GLN 158 Cb 0.04 -0.18 -0.03 0.00 0.08 0.00 0.00 27.48 27.39 3k85 h GLN 158 CO 0.00 0.53 0.05 -0.44 0.09 0.00 0.00 178.83 179.06 3k85 h ASP 159 N 0.83 0.01 -0.54 0.06 5.19 -1.96 -0.49 116.42 119.51 3k85 h ASP 159 Ca 0.54 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.98 3k85 h ASP 159 Cb 0.73 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.27 3k85 h ASP 159 CO -0.34 0.04 0.31 1.56 -3.12 0.00 0.00 179.24 177.69 3k85 h GLN 160 N 0.15 0.74 -0.37 3.56 7.50 -1.82 -2.49 115.11 122.38 3k85 h GLN 160 Ca 0.12 -0.08 -0.14 0.00 0.50 0.00 0.00 58.65 59.05 3k85 h GLN 160 Cb 0.13 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.50 3k85 h GLN 160 CO -0.16 0.56 -0.34 1.88 -1.50 0.00 0.00 178.83 179.26 3k85 h TYR 161 N 0.73 0.99 -0.20 2.96 0.05 -1.51 -2.73 116.97 117.25 3k85 h TYR 161 Ca 0.19 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 3k85 h TYR 161 Cb 0.02 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 3k85 h TYR 161 CO -0.02 1.06 0.11 0.00 -1.05 0.00 0.00 178.16 178.26 3k85 h ALA 162 N 0.91 0.26 -0.59 3.88 0.00 -0.99 -0.36 119.26 122.37 3k85 h ALA 162 Ca 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3k85 h ALA 162 Cb 0.90 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3k85 h ALA 162 CO 0.08 -0.22 0.34 0.00 0.00 0.00 0.00 179.25 179.45 3k85 h ALA 163 N 1.01 0.77 0.02 0.00 0.00 -1.39 -0.16 119.26 119.50 3k85 h ALA 163 Ca 0.07 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 3k85 h ALA 163 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3k85 h ALA 163 CO -0.01 0.05 -0.93 0.00 0.00 0.00 0.00 179.25 178.35 3k85 h ALA 164 N 1.28 0.45 0.04 0.00 0.00 -1.35 -0.67 119.26 119.01 3k85 h ALA 164 Ca 0.25 -0.76 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 3k85 h ALA 164 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3k85 h ALA 164 CO -0.13 0.95 -1.10 0.74 0.00 0.00 0.00 179.25 179.71 3k85 h PHE 165 N 0.09 0.15 -0.11 0.00 0.04 -0.92 -3.31 116.94 112.88 3k85 h PHE 165 Ca -0.05 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.62 3k85 h PHE 165 Cb 1.59 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.73 3k85 h PHE 165 CO 0.03 1.43 -0.04 0.41 -0.60 0.00 0.00 178.31 179.54 3k85 n GLY 166 N 1.58 -2.67 6.75 -1.45 0.00 -0.09 -3.40 105.19 105.92 3k85 n GLY 166 Ca -0.26 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3k85 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k85 n GLY 167 N -1.99 -1.47 3.56 -0.02 0.00 -1.01 -4.72 105.19 99.54 3k85 n GLY 167 Ca -0.00 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 3k85 n GLY 167 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k85 s PHE 168 N 0.00 3.19 0.09 1.61 0.08 -1.26 -2.30 117.98 119.39 3k85 s PHE 168 Ca 0.00 0.24 0.10 0.00 0.12 0.00 0.00 56.93 57.39 3k85 s PHE 168 Cb 0.00 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.50 3k85 s PHE 168 CO 0.00 -0.52 -0.26 -0.80 -0.10 0.00 0.00 175.22 173.54 3k85 s ASN 169 N 1.74 3.29 0.29 1.36 0.02 -0.34 -0.90 114.94 120.41 3k85 s ASN 169 Ca 0.19 -0.67 0.11 0.00 -1.02 0.00 0.00 52.86 51.47 3k85 s ASN 169 Cb -0.15 -0.27 -0.05 0.00 0.02 0.00 0.00 41.25 40.79 3k85 s ASN 169 CO 0.13 0.21 -0.16 -0.47 0.02 0.00 0.00 177.10 176.83 3k85 s TYR 170 N -0.96 2.26 -0.30 2.20 5.04 -1.01 -2.09 117.35 122.49 3k85 s TYR 170 Ca 0.13 -0.42 -0.07 0.00 -2.44 0.00 0.00 57.07 54.28 3k85 s TYR 170 Cb -0.10 -1.09 0.18 0.00 0.35 0.00 0.00 41.96 41.30 3k85 s TYR 170 CO 0.05 0.63 0.78 -1.21 -1.34 0.00 0.00 175.55 174.46 3k85 s GLU 172 N -3.56 0.42 -0.92 4.97 2.02 0.52 -1.39 118.70 120.76 3k85 s GLU 172 Ca 0.30 0.79 -0.10 0.00 0.02 0.00 0.00 54.97 55.97 3k85 s GLU 172 Cb -0.02 0.44 0.24 0.00 0.10 0.00 0.00 34.13 34.89 3k85 s GLU 172 CO 0.15 -0.42 0.87 -0.06 0.02 0.00 0.00 175.26 175.82 3k85 s PHE 173 N 2.87 3.94 0.91 1.61 0.08 -0.65 -0.97 117.98 125.77 3k85 s PHE 173 Ca 0.10 -2.40 -0.11 0.00 0.12 0.00 0.00 56.93 54.64 3k85 s PHE 173 Cb -0.13 -3.73 0.14 0.00 -0.57 0.00 0.00 43.02 38.73 3k85 s PHE 173 CO -0.17 -0.94 1.09 -0.51 -0.10 0.00 0.00 175.22 174.59 3k85 s LEU 174 N -0.51 2.21 0.81 -0.37 1.43 -0.03 0.18 118.68 122.39 3k85 s LEU 174 Ca 0.23 1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 54.75 3k85 s LEU 174 Cb -0.11 -3.92 0.08 0.00 0.03 0.00 0.00 46.19 42.27 3k85 s LEU 174 CO -0.08 -2.75 1.14 -1.10 0.23 0.00 0.00 176.35 173.79 3k85 s GLN 175 N -4.89 1.79 -1.26 1.70 -0.21 -1.24 -3.04 119.66 112.51 3k85 s GLN 175 Ca 0.64 1.48 -0.04 0.00 0.02 0.00 0.00 55.36 57.46 3k85 s GLN 175 Cb -0.19 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.01 3k85 s GLN 175 CO 0.57 -2.04 1.08 0.09 -2.12 0.00 0.00 175.29 172.87 3k85 n ASN 176 N -3.50 -3.89 -2.55 5.90 3.02 -1.24 -3.69 115.26 109.31 3k85 n ASN 176 Ca 0.11 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 3k85 n ASN 176 Cb 0.52 -5.08 0.00 0.00 -0.61 0.00 0.00 39.78 34.61 3k85 n ASN 176 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3k85 n ASP 177 N -3.08 0.00 -4.69 6.41 3.85 -1.17 -4.94 116.55 112.93 3k85 n ASP 177 Ca -0.16 0.00 -0.30 0.00 -0.71 0.00 0.00 54.79 53.61 3k85 n ASP 177 Cb 0.62 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.31 3k85 n ASP 177 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3k85 s LEU 178 N -2.82 3.50 -0.02 -2.12 2.96 -1.20 -4.98 118.68 113.99 3k85 s LEU 178 Ca 0.00 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3k85 s LEU 178 Cb 0.00 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.49 3k85 s LEU 178 CO 0.00 0.18 -0.06 0.54 -1.32 0.00 0.00 176.35 175.70 3k85 s VAL 179 N -1.30 0.53 -0.10 1.68 0.11 -1.26 -0.85 120.40 119.20 3k85 s VAL 179 Ca 0.26 -0.20 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 3k85 s VAL 179 Cb -0.12 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 3k85 s VAL 179 CO 0.18 0.19 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.36 3k85 s ILE 180 N 0.40 1.50 -0.29 7.04 -1.09 -0.14 -4.98 121.20 123.64 3k85 s ILE 180 Ca -0.05 -0.65 -0.07 0.00 -2.23 0.00 0.00 60.65 57.65 3k85 s ILE 180 Cb -0.09 -1.37 0.00 0.00 -1.58 0.00 0.00 42.46 39.43 3k85 s ILE 180 CO -0.00 0.44 0.08 -0.69 -1.23 0.00 0.00 174.94 173.54 3k85 s VAL 181 N 0.93 4.07 -0.71 2.92 1.01 -1.26 -0.35 120.40 127.02 3k85 s VAL 181 Ca -0.08 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 3k85 s VAL 181 Cb -0.15 -3.06 0.14 0.00 0.00 0.00 0.00 36.38 33.31 3k85 s VAL 181 CO -0.01 0.13 0.77 0.20 0.00 0.00 0.00 175.10 176.19 3k85 s ASN 182 N 1.53 6.41 -0.27 3.32 0.01 -0.49 -4.98 114.94 120.47 3k85 s ASN 182 Ca 0.03 -1.89 -0.29 0.00 -0.71 0.00 0.00 52.86 50.00 3k85 s ASN 182 Cb -0.17 -2.29 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 3k85 s ASN 182 CO 0.03 -0.95 1.72 -2.84 -1.51 0.00 0.00 177.10 173.56 3k85 s PRO 183 N 1.94 3.56 -0.16 -0.60 0.02 -1.26 -2.40 135.00 136.09 3k85 s PRO 183 Ca 0.16 1.56 -0.17 0.00 0.02 0.00 0.00 61.00 62.57 3k85 s PRO 183 Cb -0.18 -4.13 -0.04 0.00 0.02 0.00 0.00 34.50 30.18 3k85 s PRO 183 CO -0.01 -1.59 0.46 -0.51 -0.33 0.00 0.00 177.00 175.02 3k85 s LEU 184 N 6.09 4.21 0.00 -5.54 1.43 -0.07 -5.03 118.68 119.77 3k85 s LEU 184 Ca 0.77 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 3k85 s LEU 184 Cb -0.24 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3k85 s LEU 184 CO 0.32 -0.06 0.00 0.29 0.23 0.00 0.00 176.35 177.13 3k85 n LYS 185 N 4.16 -0.19 -5.07 1.70 5.02 -1.26 -4.32 118.16 118.19 3k85 n LYS 185 Ca -0.07 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.90 3k85 n LYS 185 Cb 0.51 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.37 3k85 n LYS 185 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3k85 s LYS 187 N -2.68 2.63 0.29 1.97 1.02 -1.26 -5.12 119.74 116.59 3k85 s LYS 187 Ca 0.00 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.21 3k85 s LYS 187 Cb 0.00 -2.29 0.61 0.00 -0.52 0.00 0.00 37.83 35.63 3k85 s LYS 187 CO 0.00 0.45 1.81 -0.09 -0.92 0.00 0.00 175.35 176.60 3k85 h ARG 188 N 5.89 0.87 0.00 1.68 2.43 -2.04 -1.65 114.38 121.55 3k85 h ARG 188 Ca -0.36 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 3k85 h ARG 188 Cb 1.17 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3k85 h ARG 188 CO 0.49 0.57 -0.26 0.11 -1.51 0.00 0.00 179.97 179.38 3k85 h TRP 189 N 0.89 0.00 -0.17 2.20 5.08 -2.05 -0.33 115.95 121.57 3k85 h TRP 189 Ca 0.52 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 60.29 3k85 h TRP 189 Cb 0.64 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.81 3k85 h TRP 189 CO -0.01 0.26 -0.69 0.82 -1.28 0.00 0.00 178.44 177.54 3k85 h ILE 190 N 0.00 1.29 -0.21 0.12 2.04 -1.70 -0.01 117.51 119.03 3k85 h ILE 190 Ca -0.00 -1.90 -0.02 0.00 1.00 0.00 0.00 64.86 63.94 3k85 h ILE 190 Cb 0.52 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3k85 h ILE 190 CO 0.03 0.60 0.05 0.58 0.00 0.00 0.00 178.15 179.42 3k85 h VAL 191 N 0.50 1.21 -0.68 1.67 2.07 -1.17 0.19 116.25 120.04 3k85 h VAL 191 Ca -0.04 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3k85 h VAL 191 Cb 1.32 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 3k85 h VAL 191 CO 0.14 0.21 0.28 0.44 0.02 0.00 0.00 177.57 178.66 3k85 h ASP 192 N 0.16 0.94 -0.50 0.57 3.32 -1.07 0.87 116.42 120.70 3k85 h ASP 192 Ca 0.07 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 3k85 h ASP 192 Cb 0.27 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3k85 h ASP 192 CO 0.00 0.85 0.20 -0.08 -1.72 0.00 0.00 179.24 178.49 3k85 h GLU 193 N 0.97 0.75 -0.52 3.56 4.57 -0.73 -1.59 114.58 121.58 3k85 h GLU 193 Ca 0.23 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.19 3k85 h GLU 193 Cb 0.20 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3k85 h GLU 193 CO -0.02 0.66 0.01 1.25 -1.18 0.00 0.00 179.01 179.73 3k85 h LEU 194 N 0.67 0.90 -0.94 1.64 5.85 -0.37 -2.53 115.31 120.52 3k85 h LEU 194 Ca 0.17 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 3k85 h LEU 194 Cb 0.19 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3k85 h LEU 194 CO -0.01 0.98 0.30 -0.33 -0.34 0.00 0.00 178.44 179.04 3k85 h GLU 195 N 0.79 1.07 0.00 1.25 5.08 -0.61 -1.85 114.58 120.31 3k85 h GLU 195 Ca 0.15 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3k85 h GLU 195 Cb 0.52 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3k85 h GLU 195 CO 0.03 0.86 0.00 -1.13 -1.00 0.00 0.00 179.01 177.76 3k85 n SER 196 N -4.30 0.00 -2.81 1.42 3.41 -0.62 -4.82 113.62 105.90 3k85 n SER 196 Ca 0.07 0.11 -0.38 0.00 -0.26 0.00 0.00 58.87 58.41 3k85 n SER 196 Cb 0.17 -0.37 0.04 0.00 -0.26 0.00 0.00 64.21 63.79 3k85 n SER 196 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k85 n SER 197 N -1.37 7.13 -3.57 4.04 7.64 -0.70 -4.05 113.62 122.75 3k85 n SER 197 Ca 0.11 -3.82 0.01 0.00 1.01 0.00 0.00 58.87 56.18 3k85 n SER 197 Cb 0.26 -0.97 -0.06 0.00 -1.01 0.00 0.00 64.21 62.44 3k85 n SER 197 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k85 s VAL 199 N -5.12 -0.05 -0.33 0.44 1.01 -0.03 0.22 120.40 116.54 3k85 s VAL 199 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 3k85 s VAL 199 Cb 0.44 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 3k85 s VAL 199 CO -0.36 0.00 0.20 -0.76 0.00 0.00 0.00 175.10 174.18 3k85 s LEU 200 N 1.38 4.36 -0.11 3.92 2.01 -1.26 -1.04 118.68 127.94 3k85 s LEU 200 Ca -0.07 -0.53 0.00 0.00 0.01 0.00 0.00 54.13 53.55 3k85 s LEU 200 Cb -0.03 -2.07 0.02 0.00 0.01 0.00 0.00 46.19 44.13 3k85 s LEU 200 CO -0.13 -0.23 -0.09 -0.47 1.01 0.00 0.00 176.35 176.44 3k85 s TYR 201 N 1.66 1.54 0.35 0.29 5.04 -0.42 -4.41 117.35 121.40 3k85 s TYR 201 Ca 0.05 -0.76 0.04 0.00 -2.44 0.00 0.00 57.07 53.97 3k85 s TYR 201 Cb -0.17 -1.24 -0.01 0.00 0.35 0.00 0.00 41.96 40.88 3k85 s TYR 201 CO 0.08 -0.50 0.51 -0.06 -1.34 0.00 0.00 175.55 174.24 3k85 s PHE 202 N 1.54 3.21 0.00 4.97 0.40 -0.98 0.66 117.98 127.79 3k85 s PHE 202 Ca 0.02 -0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 3k85 s PHE 202 Cb -0.13 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.39 3k85 s PHE 202 CO -0.07 -0.03 0.00 2.41 0.70 0.00 0.00 175.22 178.24 3k85 n THR 203 N -1.73 0.00 -0.35 0.64 -1.04 -1.24 -3.43 114.28 107.14 3k85 n THR 203 Ca -0.01 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.10 3k85 n THR 203 Cb 0.58 -0.41 0.29 0.00 -1.82 0.00 0.00 70.33 68.97 3k85 n THR 203 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3k85 h GLN 225 N 0.00 0.85 0.00 -2.82 4.15 -2.06 -3.44 115.11 111.78 3k85 h GLN 225 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3k85 h GLN 225 Cb 0.00 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.50 3k85 h GLN 225 CO 0.00 0.56 0.00 -2.37 -1.93 0.00 0.00 178.83 175.09 3k85 n THR 226 N -4.66 1.53 -0.18 2.39 5.66 -1.26 -4.54 114.28 113.23 3k85 n THR 226 Ca 0.20 0.56 -0.21 0.00 -3.05 0.00 0.00 64.05 61.56 3k85 n THR 226 Cb 0.45 -1.54 0.20 0.00 -1.55 0.00 0.00 70.33 67.89 3k85 n THR 226 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k85 n ALA 227 N -1.62 -3.55 0.00 1.79 0.00 -1.26 -2.85 120.51 113.03 3k85 n ALA 227 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3k85 n ALA 227 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.39 3k85 n ALA 227 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3k85 n ILE 228 N -4.90 0.00 0.01 0.00 5.41 -1.26 -4.13 119.36 114.49 3k85 n ILE 228 Ca 0.09 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.74 3k85 n ILE 228 Cb 0.40 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.37 3k85 n ILE 228 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3k85 h GLU 229 N 0.00 0.54 -1.16 0.38 4.39 -1.81 0.11 114.58 117.03 3k85 h GLU 229 Ca 0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3k85 h GLU 229 Cb 0.00 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3k85 h GLU 229 CO 0.00 0.99 0.00 0.00 -1.16 0.00 0.00 179.01 178.84 3k85 n ALA 230 N -2.52 1.99 0.00 3.43 0.00 -1.22 -3.42 120.51 118.77 3k85 n ALA 230 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3k85 n ALA 230 Cb 0.64 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3k85 n ALA 230 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k85 n HIS 232 N 0.56 0.00 0.06 0.00 -0.00 0.38 -2.27 115.22 113.96 3k85 n HIS 232 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 3k85 n HIS 232 Cb 0.24 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.08 3k85 n HIS 232 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3k85 h LYS 233 N 0.00 0.35 -0.83 -0.41 1.57 -1.82 -2.28 116.57 113.15 3k85 h LYS 233 Ca 0.00 -0.60 0.01 0.00 -1.87 0.00 0.00 60.65 58.19 3k85 h LYS 233 Cb 0.00 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3k85 h LYS 233 CO 0.00 1.29 0.55 0.82 -0.57 0.00 0.00 179.45 181.53 3k85 h ILE 234 N -0.19 1.21 -0.27 1.86 2.04 -1.78 0.33 117.51 120.70 3k85 h ILE 234 Ca -0.23 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 3k85 h ILE 234 Cb 1.84 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3k85 h ILE 234 CO 0.16 0.20 0.02 0.50 0.00 0.00 0.00 178.15 179.03 3k85 h LYS 235 N 1.11 0.47 -0.84 2.37 3.64 -1.84 -3.06 116.57 118.43 3k85 h LYS 235 Ca 0.31 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3k85 h LYS 235 Cb -0.12 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 3k85 h LYS 235 CO -0.07 0.62 0.56 0.37 -2.27 0.00 0.00 179.45 178.65 3k85 h GLN 236 N 0.27 1.10 -0.65 1.90 5.75 -0.62 -1.96 115.11 120.90 3k85 h GLN 236 Ca 0.08 -0.07 0.12 0.00 -0.15 0.00 0.00 58.65 58.64 3k85 h GLN 236 Cb 0.39 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3k85 h GLN 236 CO 0.01 0.73 0.44 0.66 -2.65 0.00 0.00 178.83 178.02 3k85 h SER 237 N 1.13 0.34 -0.91 -0.69 4.64 -0.31 0.11 113.55 117.87 3k85 h SER 237 Ca 0.31 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.66 3k85 h SER 237 Cb -0.13 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 61.86 3k85 h SER 237 CO -0.07 0.20 0.60 0.00 -0.87 0.00 0.00 176.83 176.69 3k85 h ALA 238 N 1.68 1.16 -0.20 5.18 0.00 -1.30 0.60 119.26 126.38 3k85 h ALA 238 Ca 0.31 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3k85 h ALA 238 Cb 0.70 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3k85 h ALA 238 CO -0.09 0.54 -0.02 0.82 0.00 0.00 0.00 179.25 180.50 3k85 h ILE 239 N 1.22 1.27 -0.35 0.00 2.04 -0.86 -1.62 117.51 119.20 3k85 h ILE 239 Ca 0.34 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 3k85 h ILE 239 Cb -0.12 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3k85 h ILE 239 CO -0.08 0.29 -0.15 0.44 0.00 0.00 0.00 178.15 178.65 3k85 h ASP 240 N 0.11 0.62 -0.34 1.72 3.32 -0.75 -2.71 116.42 118.40 3k85 h ASP 240 Ca 0.05 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.80 3k85 h ASP 240 Cb 0.44 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3k85 h ASP 240 CO 0.01 0.79 -0.25 0.74 -1.72 0.00 0.00 179.24 178.82 3k85 h THR 241 N 0.57 1.29 0.33 0.35 2.02 0.24 -1.42 112.91 116.30 3k85 h THR 241 Ca 0.10 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 3k85 h THR 241 Cb 0.58 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 3k85 h THR 241 CO 0.04 0.46 -0.31 0.50 0.37 0.00 0.00 175.52 176.57 3k85 h LYS 242 N 0.54 -0.64 0.00 6.66 3.64 -1.19 -0.32 116.57 125.25 3k85 h LYS 242 Ca 0.06 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3k85 h LYS 242 Cb 0.81 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3k85 h LYS 242 CO 0.07 -0.43 -0.01 1.25 -2.27 0.00 0.00 179.45 178.06 3k85 h LEU 243 N -0.66 0.00 0.00 5.20 5.85 -1.48 -1.26 115.31 122.95 3k85 h LEU 243 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3k85 h LEU 243 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3k85 h LEU 243 CO -0.05 0.01 -0.05 0.00 -0.34 0.00 0.00 178.44 178.01 3k85 h ALA 244 N 1.99 0.00 0.00 1.25 0.00 -0.58 -3.33 119.26 118.59 3k85 h ALA 244 Ca -0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3k85 h ALA 244 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k85 h ALA 244 CO 0.00 -0.06 -0.27 -0.07 0.00 0.00 0.00 179.25 178.85 3k85 h LEU 245 N -0.77 0.00 -1.68 0.00 3.38 -0.84 -1.62 115.31 113.78 3k85 h LEU 245 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k85 h LEU 245 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3k85 h LEU 245 CO 0.01 0.27 -0.00 -0.07 0.09 0.00 0.00 178.44 178.74 3k85 h LEU 246 N 0.00 0.00 -0.59 1.67 3.38 -1.35 -2.43 115.31 115.98 3k85 h LEU 246 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k85 h LEU 246 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3k85 h LEU 246 CO 0.04 0.00 -0.58 0.29 0.09 0.00 0.00 178.44 178.28 3k85 n LYS 247 N -3.09 1.28 -0.83 1.13 5.02 -1.06 -4.97 118.16 115.64 3k85 n LYS 247 Ca 0.00 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 3k85 n LYS 247 Cb 0.27 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3k85 n LYS 247 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k85 n GLY 248 N 1.34 0.56 3.58 0.72 0.00 -0.92 -4.96 105.19 105.50 3k85 n GLY 248 Ca 0.06 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3k85 n GLY 248 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k85 s ASP 249 N -2.22 6.51 0.36 1.61 -1.08 -0.64 -4.74 116.67 116.47 3k85 s ASP 249 Ca 0.00 -2.22 0.09 0.00 -0.52 0.00 0.00 52.55 49.90 3k85 s ASP 249 Cb 0.00 -2.58 0.68 0.00 -1.46 0.00 0.00 42.92 39.56 3k85 s ASP 249 CO 0.00 -1.51 1.83 0.58 0.52 0.00 0.00 175.17 176.59 3k85 h VAL 250 N 5.79 1.23 -0.52 1.11 2.07 -1.93 -2.55 116.25 121.45 3k85 h VAL 250 Ca 0.39 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3k85 h VAL 250 Cb 0.89 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3k85 h VAL 250 CO 1.42 0.33 0.31 1.23 0.02 0.00 0.00 177.57 180.88 3k85 h GLY 251 N 0.95 0.76 1.63 2.17 0.00 -1.97 0.53 103.07 107.14 3k85 h GLY 251 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3k85 h GLY 251 CO 0.04 0.31 -0.06 -2.09 0.00 0.00 0.00 176.54 174.74 3k85 h GLU 252 N 0.70 0.46 -0.65 4.80 4.57 -1.89 -0.93 114.58 121.64 3k85 h GLU 252 Ca 0.19 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 3k85 h GLU 252 Cb -0.00 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3k85 h GLU 252 CO -0.03 0.54 0.10 0.35 -1.18 0.00 0.00 179.01 178.78 3k85 h PHE 253 N 0.44 1.16 -0.27 0.92 3.57 -0.89 -1.46 116.94 120.41 3k85 h PHE 253 Ca 0.09 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 3k85 h PHE 253 Cb 0.39 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3k85 h PHE 253 CO 0.01 0.98 0.13 0.00 -2.23 0.00 0.00 178.31 177.20 3k85 h ALA 254 N 1.04 0.35 -0.06 2.41 0.00 -0.12 -1.48 119.26 121.39 3k85 h ALA 254 Ca 0.20 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3k85 h ALA 254 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3k85 h ALA 254 CO 0.01 -0.10 -0.14 -0.09 0.00 0.00 0.00 179.25 178.93 3k85 h ARG 255 N 0.31 -0.20 -0.85 0.00 2.43 -0.88 0.20 114.38 115.38 3k85 h ARG 255 Ca 0.09 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3k85 h ARG 255 Cb 0.10 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 3k85 h ARG 255 CO -0.01 -0.13 0.52 0.82 -1.51 0.00 0.00 179.97 179.65 3k85 h ILE 256 N -0.21 0.99 -0.51 1.20 2.04 -1.09 0.75 117.51 120.68 3k85 h ILE 256 Ca 0.07 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 3k85 h ILE 256 Cb 0.30 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3k85 h ILE 256 CO -0.18 0.17 -0.07 -0.07 0.00 0.00 0.00 178.15 177.99 3k85 h LEU 257 N 0.90 0.91 -0.17 1.44 3.38 -0.69 -1.13 115.31 119.96 3k85 h LEU 257 Ca 0.39 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3k85 h LEU 257 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3k85 h LEU 257 CO -0.21 1.01 -0.16 1.23 0.09 0.00 0.00 178.44 180.41 3k85 h GLY 258 N 0.97 0.45 1.72 0.83 0.00 0.10 -0.95 103.07 106.20 3k85 h GLY 258 Ca 0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3k85 h GLY 258 CO 0.04 0.41 0.11 -2.09 0.00 0.00 0.00 176.54 175.00 3k85 h GLU 259 N 0.07 0.36 0.00 4.80 4.81 0.49 -0.29 114.58 124.82 3k85 h GLU 259 Ca 0.03 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3k85 h GLU 259 Cb 0.69 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3k85 h GLU 259 CO 0.04 0.30 -0.38 0.78 -0.73 0.00 0.00 179.01 179.03 3k85 h GLY 260 N 0.50 0.00 0.53 1.92 0.00 -0.98 -3.12 103.07 101.92 3k85 h GLY 260 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3k85 h GLY 260 CO -0.01 0.00 -0.13 -0.25 0.00 0.00 0.00 176.54 176.15 3k85 h TRP 261 N 0.00 -0.34 -0.69 5.60 -0.00 0.36 -2.17 115.95 118.71 3k85 h TRP 261 Ca -0.00 -0.01 0.15 0.00 -0.00 0.00 0.00 58.89 59.02 3k85 h TRP 261 Cb 1.04 0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 30.27 3k85 h TRP 261 CO 0.00 0.02 0.47 0.93 -0.00 0.00 0.00 178.44 179.86 3k85 h GLU 262 N -0.84 0.31 0.00 2.65 3.07 -1.54 0.14 114.58 118.36 3k85 h GLU 262 Ca -0.04 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 3k85 h GLU 262 Cb 0.51 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3k85 h GLU 262 CO 0.06 0.20 -0.25 -0.91 -1.40 0.00 0.00 179.01 176.71 3k85 h ASN 263 N 0.32 0.00 -0.08 1.42 4.21 -1.52 -2.90 115.58 117.02 3k85 h ASN 263 Ca 0.33 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.84 3k85 h ASN 263 Cb 0.86 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.06 3k85 h ASN 263 CO -0.09 0.25 0.00 1.17 -1.29 0.00 0.00 177.43 177.48 3k85 n LYS 264 N -3.20 1.22 0.00 0.81 3.00 0.47 -3.11 118.16 117.35 3k85 n LYS 264 Ca 0.02 -0.31 0.03 0.00 -0.00 0.00 0.00 58.31 58.05 3k85 n LYS 264 Cb 0.59 -1.11 -0.01 0.00 0.00 0.00 0.00 35.03 34.50 3k85 n LYS 264 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3k85 n LYS 265 N -0.23 3.26 -2.58 1.64 5.02 -1.09 -5.07 118.16 119.11 3k85 n LYS 265 Ca 0.03 -0.31 -0.15 0.00 -2.02 0.00 0.00 58.31 55.85 3k85 n LYS 265 Cb 0.09 -0.87 0.02 0.00 -0.02 0.00 0.00 35.03 34.25 3k85 n LYS 265 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3k85 n LYS 266 N -0.58 2.09 0.00 1.97 2.85 -1.18 -5.13 118.16 118.18 3k85 n LYS 266 Ca 0.02 -3.75 0.00 0.00 -1.05 0.00 0.00 58.31 53.53 3k85 n LYS 266 Cb 0.10 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.82 3k85 n LYS 266 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3k85 n GLU 278 N -0.27 0.00 0.00 -1.58 0.28 -1.26 -4.95 120.64 112.86 3k85 n GLU 278 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 3k85 n GLU 278 Cb 0.77 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.64 3k85 n GLU 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3k85 n ALA 279 N 0.00 0.00 -2.60 -1.84 0.00 -1.26 -4.72 120.51 110.09 3k85 n ALA 279 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3k85 n ALA 279 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3k85 n ALA 279 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k85 s PHE 280 N 0.00 2.81 -0.24 0.00 2.19 -1.26 -4.69 117.98 116.80 3k85 s PHE 280 Ca 0.00 -1.63 0.14 0.00 0.33 0.00 0.00 56.93 55.77 3k85 s PHE 280 Cb 0.00 -4.73 0.74 0.00 -1.31 0.00 0.00 43.02 37.72 3k85 s PHE 280 CO 0.00 -1.79 1.68 -0.40 1.83 0.00 0.00 175.22 176.54 3k85 n ASP 281 N 8.26 5.10 -0.12 6.13 5.75 -1.26 -4.38 116.55 136.02 3k85 n ASP 281 Ca 0.48 -3.03 0.07 0.00 -0.01 0.00 0.00 54.79 52.30 3k85 n ASP 281 Cb 0.46 -0.66 0.40 0.00 -1.03 0.00 0.00 41.12 40.28 3k85 n ASP 281 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3k85 h VAL 282 N 3.20 1.02 0.85 2.12 3.04 -1.98 -2.71 116.25 121.78 3k85 h VAL 282 Ca 0.05 -0.22 -0.04 0.00 -1.01 0.00 0.00 66.70 65.48 3k85 h VAL 282 Cb 1.92 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 3k85 h VAL 282 CO 0.47 0.12 -0.45 0.00 -1.01 0.00 0.00 177.57 176.70 3k85 h ALA 283 N 1.65 -1.21 0.00 3.17 0.00 -1.98 -2.06 119.26 118.83 3k85 h ALA 283 Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k85 h ALA 283 Cb 0.24 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3k85 h ALA 283 CO -0.08 -1.19 0.07 1.15 0.00 0.00 0.00 179.25 179.20 3k85 h THR 284 N -1.20 0.00 -0.75 0.00 2.02 -1.82 -1.27 112.91 109.89 3k85 h THR 284 Ca -0.11 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.15 3k85 h THR 284 Cb 0.94 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 3k85 h THR 284 CO 0.16 0.00 0.49 1.23 0.37 0.00 0.00 175.52 177.77 3k85 h GLY 285 N 0.00 0.97 -7.16 2.16 0.00 -1.07 -3.37 103.07 94.61 3k85 h GLY 285 Ca 0.00 -0.29 -0.54 0.00 0.00 0.00 0.00 47.33 46.49 3k85 h GLY 285 CO 0.00 0.19 1.06 0.00 0.00 0.00 0.00 176.54 177.79 3k85 s ALA 286 N -5.65 2.82 0.34 3.60 0.00 -0.48 -4.97 121.76 117.41 3k85 s ALA 286 Ca -0.10 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 50.66 3k85 s ALA 286 Cb 0.20 -4.14 -0.15 0.00 0.00 0.00 0.00 23.12 19.03 3k85 s ALA 286 CO 0.77 -3.01 0.49 0.41 0.00 0.00 0.00 175.76 174.42 3k85 n GLY 287 N 5.25 -1.71 0.00 0.00 0.00 -1.26 -5.06 105.19 102.41 3k85 n GLY 287 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3k85 n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k85 n ALA 288 N -0.52 0.00 -1.89 4.61 0.00 -1.26 -4.86 120.51 116.59 3k85 n ALA 288 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 3k85 n ALA 288 Cb 0.35 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.85 3k85 n ALA 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k85 s ALA 290 N -1.04 2.88 0.13 0.00 0.00 -1.17 -5.03 121.76 117.52 3k85 s ALA 290 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 3k85 s ALA 290 Cb 0.00 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 3k85 s ALA 290 CO 0.00 -1.21 0.19 0.20 0.00 0.00 0.00 175.76 174.94 3k85 s GLY 291 N -4.39 0.48 -0.22 0.00 0.00 -1.26 -1.72 107.32 100.22 3k85 s GLY 291 Ca 0.59 -0.97 -0.13 0.00 0.00 0.00 0.00 44.72 44.21 3k85 s GLY 291 CO 0.51 -0.98 0.54 1.25 0.00 0.00 0.00 173.10 174.42 3k85 s LYS 292 N -3.95 0.55 0.01 2.90 2.20 -1.26 -4.69 119.74 115.50 3k85 s LYS 292 Ca 0.15 0.95 -0.11 0.00 -0.36 0.00 0.00 55.97 56.59 3k85 s LYS 292 Cb 0.05 0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 36.41 3k85 s LYS 292 CO -0.03 -0.14 0.35 0.08 -0.36 0.00 0.00 175.35 175.24 3k85 s VAL 293 N 1.31 5.15 -0.07 4.02 1.01 -1.26 -4.41 120.40 126.16 3k85 s VAL 293 Ca -0.08 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.49 3k85 s VAL 293 Cb -0.06 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 3k85 s VAL 293 CO -0.13 0.47 -0.22 -0.44 0.00 0.00 0.00 175.10 174.78 3k85 s SER 294 N -1.36 2.78 0.00 3.32 0.01 -0.90 -5.00 113.70 112.56 3k85 s SER 294 Ca 0.26 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.04 3k85 s SER 294 Cb -0.15 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.14 3k85 s SER 294 CO 0.14 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.58 3k85 n GLY 295 N 3.21 0.00 1.71 3.44 0.00 -1.26 -4.54 105.19 107.75 3k85 n GLY 295 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3k85 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k85 n ALA 296 N 0.00 -1.34 -3.70 4.61 0.00 -1.26 -3.33 120.51 115.49 3k85 n ALA 296 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 3k85 n ALA 296 Cb 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 18.62 3k85 n ALA 296 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k85 n GLY 300 N 1.55 -1.14 0.00 0.00 0.00 -1.26 -4.39 105.19 99.95 3k85 n GLY 300 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3k85 n GLY 300 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3k85 n PHE 301 N -3.31 0.00 -2.88 1.61 7.35 -1.25 -3.70 117.46 115.28 3k85 n PHE 301 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 3k85 n PHE 301 Cb 0.61 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.44 3k85 n PHE 301 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3k85 n ILE 302 N 0.00 0.00 -3.65 -2.13 -0.00 0.21 -2.11 119.36 111.69 3k85 n ILE 302 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.73 3k85 n ILE 302 Cb 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 39.64 39.53 3k85 n ILE 302 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 3k85 s PHE 304 N 1.12 -0.05 -0.27 1.39 0.08 -0.21 -1.31 117.98 118.74 3k85 s PHE 304 Ca 0.00 0.11 -0.04 0.00 0.12 0.00 0.00 56.93 57.12 3k85 s PHE 304 Cb 0.00 0.45 0.02 0.00 -0.57 0.00 0.00 43.02 42.91 3k85 s PHE 304 CO 0.00 -0.02 0.00 0.08 -0.10 0.00 0.00 175.22 175.18 3k85 s VAL 305 N 0.11 3.36 0.13 -0.44 1.01 -0.70 -0.85 120.40 123.03 3k85 s VAL 305 Ca 0.06 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.20 3k85 s VAL 305 Cb -0.05 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3k85 s VAL 305 CO -0.15 0.14 -0.11 0.54 0.00 0.00 0.00 175.10 175.51 3k85 s VAL 306 N 1.40 1.19 0.21 2.92 0.11 0.13 -3.07 120.40 123.30 3k85 s VAL 306 Ca 0.01 -1.88 -0.31 0.00 -2.93 0.00 0.00 61.98 56.87 3k85 s VAL 306 Cb -0.17 -1.66 -0.11 0.00 -1.53 0.00 0.00 36.38 32.91 3k85 s VAL 306 CO -0.01 -0.61 1.61 -0.70 -3.33 0.00 0.00 175.10 172.06 3k85 s GLU 307 N -3.24 4.17 0.23 1.54 2.12 -1.26 -4.23 118.70 118.03 3k85 s GLU 307 Ca 0.12 2.48 -0.11 0.00 0.36 0.00 0.00 54.97 57.82 3k85 s GLU 307 Cb -0.01 -3.10 0.31 0.00 0.26 0.00 0.00 34.13 31.60 3k85 s GLU 307 CO 0.01 -0.64 1.62 -1.35 -0.54 0.00 0.00 175.26 174.37 3k85 h PRO 308 N 6.20 0.03 0.00 4.30 0.11 -1.91 0.13 132.00 140.86 3k85 h PRO 308 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3k85 h PRO 308 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3k85 h PRO 308 CO 0.89 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.95 3k85 n THR 309 N -5.42 1.28 0.21 -1.15 -2.24 -1.26 -1.66 114.28 104.03 3k85 n THR 309 Ca 0.10 0.32 0.02 0.00 -2.27 0.00 0.00 64.05 62.22 3k85 n THR 309 Cb 0.38 -1.19 0.01 0.00 -2.10 0.00 0.00 70.33 67.43 3k85 n THR 309 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3k85 n ARG 310 N -1.43 0.66 -0.03 -0.78 1.74 0.36 -4.74 116.66 112.43 3k85 n ARG 310 Ca 0.02 -0.67 -0.09 0.00 -0.77 0.00 0.00 57.85 56.34 3k85 n ARG 310 Cb 0.08 -1.03 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 3k85 n ARG 310 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3k85 h LYS 311 N 0.83 0.11 -0.94 5.56 3.64 -0.36 -2.67 116.57 122.74 3k85 h LYS 311 Ca 0.00 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.52 3k85 h LYS 311 Cb 0.19 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 3k85 h LYS 311 CO 0.00 0.08 0.60 1.49 -2.27 0.00 0.00 179.45 179.35 3k85 h GLU 312 N 0.12 0.75 0.78 1.90 4.57 -1.85 0.11 114.58 120.96 3k85 h GLU 312 Ca 0.08 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3k85 h GLU 312 Cb 0.07 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3k85 h GLU 312 CO -0.10 0.49 -0.38 1.49 -1.18 0.00 0.00 179.01 179.33 3k85 h GLU 313 N 0.77 -1.01 -0.57 1.92 4.57 -1.83 0.59 114.58 119.02 3k85 h GLU 313 Ca 0.49 0.07 0.11 0.00 -1.18 0.00 0.00 59.36 58.85 3k85 h GLU 313 Cb 0.72 0.23 -0.11 0.00 -0.16 0.00 0.00 28.75 29.43 3k85 h GLU 313 CO -0.25 -0.66 -0.22 0.28 -1.18 0.00 0.00 179.01 176.98 3k85 h VAL 314 N -1.18 0.31 -0.96 0.32 2.07 -1.01 -0.02 116.25 115.78 3k85 h VAL 314 Ca -0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3k85 h VAL 314 Cb 0.82 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3k85 h VAL 314 CO 0.18 0.00 0.63 0.58 0.02 0.00 0.00 177.57 178.98 3k85 h VAL 315 N -0.08 1.20 -0.43 2.57 2.07 -0.67 -1.79 116.25 119.11 3k85 h VAL 315 Ca 0.26 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 3k85 h VAL 315 Cb 0.49 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3k85 h VAL 315 CO -0.62 0.23 -0.02 0.03 0.02 0.00 0.00 177.57 177.21 3k85 h ARG 316 N 1.25 0.77 0.20 1.57 3.08 0.88 -2.29 114.38 119.84 3k85 h ARG 316 Ca 0.37 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3k85 h ARG 316 Cb -0.07 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.92 3k85 h ARG 316 CO -0.10 0.85 -0.10 0.00 -1.07 0.00 0.00 179.97 179.55 3k85 h ALA 317 N 0.89 -0.27 -0.74 0.04 0.00 -0.88 -2.87 119.26 115.43 3k85 h ALA 317 Ca 0.12 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3k85 h ALA 317 Cb 0.52 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3k85 h ALA 317 CO 0.03 -0.58 0.47 -0.07 0.00 0.00 0.00 179.25 179.09 3k85 h LEU 318 N -0.41 0.78 -2.26 0.00 3.38 -1.36 -0.84 115.31 114.60 3k85 h LEU 318 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3k85 h LEU 318 Cb 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3k85 h LEU 318 CO 0.05 0.54 0.00 0.78 0.09 0.00 0.00 178.44 179.90 3k85 h ASN 319 N 0.92 0.00 -0.02 -0.43 4.21 -1.36 0.38 115.58 119.29 3k85 h ASN 319 Ca 0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.80 3k85 h ASN 319 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3k85 h ASN 319 CO -0.10 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.63 3k85 n ASN 320 N -2.88 0.27 -2.93 5.81 3.02 -0.32 -4.79 115.26 113.44 3k85 n ASN 320 Ca -0.02 -1.28 -0.08 0.00 -0.03 0.00 0.00 54.58 53.17 3k85 n ASN 320 Cb 0.12 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.32 3k85 n ASN 320 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3k85 n LEU 321 N -0.70 0.00 0.00 3.41 4.32 0.13 -4.98 117.00 119.19 3k85 n LEU 321 Ca 0.19 -0.77 0.12 0.00 -0.02 0.00 0.00 56.01 55.52 3k85 n LEU 321 Cb 0.13 -0.23 0.59 0.00 -1.62 0.00 0.00 43.42 42.29 3k85 n LEU 321 CO 0.14 -0.67 0.90 -3.20 -1.22 0.00 0.00 177.39 173.34 3k85 n ASN 322 N -2.95 0.00 -2.87 -1.43 5.15 -1.26 -4.82 115.26 107.07 3k85 n ASN 322 Ca 0.06 0.09 -0.09 0.00 -0.60 0.00 0.00 54.58 54.03 3k85 n ASN 322 Cb 0.21 -0.34 -0.01 0.00 -0.53 0.00 0.00 39.78 39.11 3k85 n ASN 322 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k85 n GLY 323 N 0.83 3.48 3.26 8.20 0.00 -1.26 -5.03 105.19 114.67 3k85 n GLY 323 Ca 0.10 -2.24 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 3k85 n GLY 323 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k85 s PHE 324 N -1.22 1.48 0.00 1.61 -0.00 -1.22 -4.60 117.98 114.02 3k85 s PHE 324 Ca 0.05 -0.55 0.00 0.00 -0.00 0.00 0.00 56.93 56.43 3k85 s PHE 324 Cb -0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 43.02 42.26 3k85 s PHE 324 CO 0.03 0.18 0.00 0.28 -0.00 0.00 0.00 175.22 175.71 3k85 n VAL 325 N 0.42 0.00 -3.81 -2.49 0.31 -1.26 -2.32 118.33 109.18 3k85 n VAL 325 Ca -0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.06 3k85 n VAL 325 Cb 0.57 -0.97 -0.12 0.00 -0.91 0.00 0.00 33.84 32.41 3k85 n VAL 325 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3k85 s PRO 327 N 2.22 0.23 0.26 5.55 0.04 -1.26 -4.99 135.00 137.05 3k85 s PRO 327 Ca 0.00 0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.15 3k85 s PRO 327 Cb 0.00 0.11 -0.00 0.00 0.04 0.00 0.00 34.50 34.65 3k85 s PRO 327 CO 0.00 -0.03 0.47 -0.59 0.04 0.00 0.00 177.00 176.89 3k85 s PHE 328 N 0.01 0.44 -0.04 0.56 -0.12 -1.26 -5.04 117.98 112.55 3k85 s PHE 328 Ca -0.01 -0.80 -0.09 0.00 -0.05 0.00 0.00 56.93 55.98 3k85 s PHE 328 Cb -0.02 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.54 3k85 s PHE 328 CO 0.00 -1.01 0.21 -0.65 -0.05 0.00 0.00 175.22 173.72 3k85 s GLN 329 N -3.90 0.43 0.33 1.99 -1.52 -1.26 -5.00 119.66 110.72 3k85 s GLN 329 Ca 0.24 -0.07 -0.28 0.00 -1.95 0.00 0.00 55.36 53.30 3k85 s GLN 329 Cb -0.00 0.19 -0.09 0.00 -0.22 0.00 0.00 33.01 32.88 3k85 s GLN 329 CO 0.10 -0.09 1.11 -0.06 -0.25 0.00 0.00 175.29 176.09 3k85 s PHE 330 N -0.76 3.41 -0.06 0.91 0.08 -1.26 0.31 117.98 120.61 3k85 s PHE 330 Ca -0.08 1.65 0.05 0.00 0.12 0.00 0.00 56.93 58.67 3k85 s PHE 330 Cb -0.05 -3.28 -0.00 0.00 -0.57 0.00 0.00 43.02 39.12 3k85 s PHE 330 CO 0.02 -0.73 -0.21 -1.50 -0.10 0.00 0.00 175.22 172.69 3k85 s ILE 331 N -1.31 1.79 -0.83 0.64 1.10 -0.62 -4.72 121.20 117.25 3k85 s ILE 331 Ca 0.49 -0.90 0.26 0.00 -0.51 0.00 0.00 60.65 59.99 3k85 s ILE 331 Cb -0.30 -1.53 0.13 0.00 0.15 0.00 0.00 42.46 40.91 3k85 s ILE 331 CO 0.38 0.50 1.57 -0.67 -2.11 0.00 0.00 174.94 174.61 3k85 n ASP 332 N 3.19 0.52 -4.90 4.50 2.03 -1.26 -3.03 116.55 117.59 3k85 n ASP 332 Ca -0.18 0.20 -0.29 0.00 0.52 0.00 0.00 54.79 55.04 3k85 n ASP 332 Cb 0.52 -0.15 -0.04 0.00 -0.72 0.00 0.00 41.12 40.73 3k85 n ASP 332 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3k85 s ASP 333 N -3.72 6.46 0.06 1.67 1.11 -1.26 -2.41 116.67 118.58 3k85 s ASP 333 Ca 0.10 0.64 0.00 0.00 0.18 0.00 0.00 52.55 53.47 3k85 s ASP 333 Cb 0.15 -2.11 0.00 0.00 1.07 0.00 0.00 42.92 42.03 3k85 s ASP 333 CO 0.65 -0.09 0.00 0.61 1.18 0.00 0.00 175.17 177.52 3k85 n GLY 334 N -0.53 1.72 3.74 0.21 0.00 -1.22 -4.20 105.19 104.90 3k85 n GLY 334 Ca -0.02 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 3k85 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k85 n ALA 335 N -3.00 1.75 -3.05 4.61 0.00 -0.26 -4.83 120.51 115.73 3k85 n ALA 335 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 3k85 n ALA 335 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.06 3k85 n ALA 335 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3k85 s HIS 336 N -1.18 -0.23 0.22 0.00 -0.00 -0.85 -4.98 115.29 108.27 3k85 s HIS 336 Ca 0.59 -0.01 0.05 0.00 -0.00 0.00 0.00 55.06 55.69 3k85 s HIS 336 Cb -0.48 0.26 -0.05 0.00 -0.00 0.00 0.00 32.58 32.30 3k85 s HIS 336 CO 0.59 -0.68 -0.06 0.20 -0.00 0.00 0.00 174.74 174.80 3k85 s GLY 337 N -2.61 1.51 0.06 -1.38 0.00 -1.26 -1.93 107.32 101.71 3k85 s GLY 337 Ca 0.01 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.84 3k85 s GLY 337 CO -0.10 -1.71 0.35 0.66 0.00 0.00 0.00 173.10 172.30 3k85 s TRP 338 N -3.22 -0.16 -0.03 1.90 -2.14 -0.15 -4.98 118.94 110.15 3k85 s TRP 338 Ca 0.25 0.01 0.01 0.00 2.66 0.00 0.00 56.10 59.03 3k85 s TRP 338 Cb 0.04 0.15 -0.03 0.00 -3.10 0.00 0.00 33.47 30.52 3k85 s TRP 338 CO 0.08 -0.56 -0.03 0.15 -2.66 0.00 0.00 176.95 173.93 3k85 s LYS 339 N -2.79 2.77 -0.27 3.25 1.02 -1.26 -0.92 119.74 121.54 3k85 s LYS 339 Ca -0.03 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.38 3k85 s LYS 339 Cb -0.00 -2.65 0.05 0.00 -0.52 0.00 0.00 37.83 34.71 3k85 s LYS 339 CO -0.05 0.65 -0.07 0.42 -0.92 0.00 0.00 175.35 175.38 3k85 s ILE 340 N -0.96 2.61 0.13 2.17 -1.09 -0.02 -5.00 121.20 119.04 3k85 s ILE 340 Ca 0.16 -1.37 -0.20 0.00 -2.23 0.00 0.00 60.65 57.02 3k85 s ILE 340 Cb -0.11 -2.45 -0.07 0.00 -1.58 0.00 0.00 42.46 38.24 3k85 s ILE 340 CO 0.06 0.03 0.63 -0.31 -1.23 0.00 0.00 174.94 174.12 3k85 s TYR 341 N 1.22 3.77 0.00 3.97 2.02 -1.26 -2.21 117.35 124.85 3k85 s TYR 341 Ca -0.05 1.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.98 3k85 s TYR 341 Cb -0.19 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.83 3k85 s TYR 341 CO -0.04 0.51 0.00 0.45 -1.57 0.00 0.00 175.55 174.90