#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 1.78 0.15 1.47 -7.23 -0.19 -0.40 120.40 115.98 3k85 s VAL 3 Ca 0.00 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 3k85 s VAL 3 Cb 0.00 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 3k85 s VAL 3 CO 0.00 -0.13 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.47 3k85 s ARG 4 N -2.20 1.06 0.16 4.82 0.52 -0.18 -0.09 118.95 123.04 3k85 s ARG 4 Ca 0.10 -1.48 -0.23 0.00 -0.52 0.00 0.00 55.73 53.60 3k85 s ARG 4 Cb -0.09 -0.44 0.07 0.00 0.52 0.00 0.00 34.95 35.01 3k85 s ARG 4 CO 0.05 -0.02 0.59 -1.54 0.02 0.00 0.00 175.30 174.40 3k85 s SER 5 N -3.16 -0.55 -0.05 0.23 1.04 0.03 -1.02 113.70 110.22 3k85 s SER 5 Ca 0.19 -0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.41 3k85 s SER 5 Cb 0.04 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.79 3k85 s SER 5 CO 0.01 -0.96 0.43 -1.59 0.98 0.00 0.00 173.24 172.11 3k85 s LYS 6 N -3.75 0.75 0.02 4.02 -2.85 -0.84 -1.64 119.74 115.46 3k85 s LYS 6 Ca 0.01 0.05 0.02 0.00 -1.00 0.00 0.00 55.97 55.06 3k85 s LYS 6 Cb -0.01 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 36.09 3k85 s LYS 6 CO -0.13 -0.20 -0.08 0.00 0.10 0.00 0.00 175.35 175.04 3k85 s ALA 7 N -1.05 0.60 0.39 0.59 0.00 -0.61 -2.02 121.76 119.67 3k85 s ALA 7 Ca -0.11 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 3k85 s ALA 7 Cb -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3k85 s ALA 7 CO 0.05 0.06 0.69 -1.25 0.00 0.00 0.00 175.76 175.32 3k85 s PRO 8 N -0.94 3.63 0.66 0.00 0.04 -1.26 -1.62 135.00 135.51 3k85 s PRO 8 Ca -0.04 0.16 -0.02 0.00 0.04 0.00 0.00 61.00 61.14 3k85 s PRO 8 Cb -0.07 -2.49 0.07 0.00 0.04 0.00 0.00 34.50 32.06 3k85 s PRO 8 CO 0.00 -0.00 0.92 -0.51 0.04 0.00 0.00 177.00 177.46 3k85 s LEU 9 N -4.11 3.04 0.23 -3.56 1.43 -0.24 -4.40 118.68 111.07 3k85 s LEU 9 Ca 0.47 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3k85 s LEU 9 Cb -0.10 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 3k85 s LEU 9 CO 0.36 -1.54 0.06 0.00 0.23 0.00 0.00 176.35 175.46 3k85 s ARG 10 N -5.05 1.30 -0.10 1.70 1.04 -0.91 -0.55 118.95 116.39 3k85 s ARG 10 Ca 0.61 -1.68 0.03 0.00 -1.04 0.00 0.00 55.73 53.66 3k85 s ARG 10 Cb -0.09 -0.28 0.01 0.00 -2.04 0.00 0.00 34.95 32.55 3k85 s ARG 10 CO 0.42 -0.23 -0.18 -0.51 -0.04 0.00 0.00 175.30 174.77 3k85 s LEU 11 N -3.26 1.86 -0.18 -1.89 1.02 0.09 -4.63 118.68 111.69 3k85 s LEU 11 Ca 0.32 -0.45 -0.26 0.00 0.02 0.00 0.00 54.13 53.77 3k85 s LEU 11 Cb 0.07 -1.15 -0.01 0.00 0.02 0.00 0.00 46.19 45.12 3k85 s LEU 11 CO 0.10 0.07 0.86 -0.83 0.02 0.00 0.00 176.35 176.58 3k85 s GLY 12 N 0.66 2.06 -0.14 -3.19 0.00 -1.26 -1.57 107.32 103.88 3k85 s GLY 12 Ca -0.13 0.06 0.17 0.00 0.00 0.00 0.00 44.72 44.81 3k85 s GLY 12 CO 0.03 1.74 0.28 1.04 0.00 0.00 0.00 173.10 176.20 3k85 n LEU 13 N 5.37 0.27 -3.63 0.66 4.77 0.23 -5.00 117.00 119.67 3k85 n LEU 13 Ca 0.05 0.13 -0.03 0.00 -0.03 0.00 0.00 56.01 56.13 3k85 n LEU 13 Cb 0.48 0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.90 3k85 n LEU 13 CO 0.49 0.43 1.10 0.00 -1.33 0.00 0.00 177.39 178.08 3k85 s ALA 14 N -2.58 -2.11 0.00 -1.18 0.00 -0.78 -4.97 121.76 110.14 3k85 s ALA 14 Ca -0.08 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.70 3k85 s ALA 14 Cb 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.74 3k85 s ALA 14 CO 0.83 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.77 3k85 n GLY 15 N 0.72 0.55 3.49 0.00 0.00 -1.24 -0.49 105.19 108.21 3k85 n GLY 15 Ca -0.03 0.00 -0.60 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 -2.00 0.22 0.00 -0.02 0.00 -1.26 -1.19 105.19 100.95 3k85 n GLY 16 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 5.89 2.93 0.03 -0.02 0.00 -1.26 -4.90 105.19 107.86 3k85 n GLY 17 Ca 0.42 -1.04 0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 0.14 0.12 0.04 1.61 3.41 -0.33 -0.59 113.62 118.02 3k85 n SER 18 Ca 0.00 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 3k85 n SER 18 Cb 0.00 -0.57 0.05 0.00 -0.26 0.00 0.00 64.21 63.43 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 -1.65 0.63 -4.74 4.04 5.75 -1.26 -3.45 116.55 115.87 3k85 n ASP 19 Ca 0.00 -0.08 -0.40 0.00 -0.01 0.00 0.00 54.79 54.30 3k85 n ASP 19 Cb 0.04 0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 40.75 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 -3.22 4.76 0.48 2.12 1.01 0.25 -4.10 120.40 121.70 3k85 s VAL 20 Ca 0.03 1.64 -0.22 0.00 0.00 0.00 0.00 61.98 63.43 3k85 s VAL 20 Cb 0.14 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 3k85 s VAL 20 CO 0.79 0.34 1.16 -0.44 0.00 0.00 0.00 175.10 176.95 3k85 s SER 21 N 0.07 6.05 0.00 3.32 0.01 -1.26 -2.19 113.70 119.70 3k85 s SER 21 Ca 0.39 2.29 0.17 0.00 1.31 0.00 0.00 55.95 60.11 3k85 s SER 21 Cb -0.20 -2.60 0.52 0.00 0.21 0.00 0.00 66.02 63.95 3k85 s SER 21 CO 0.23 -1.00 1.41 -0.81 0.41 0.00 0.00 173.24 173.48 3k85 n PRO 22 N -0.68 2.00 -0.25 12.44 -0.04 -1.26 -4.90 135.00 142.31 3k85 n PRO 22 Ca 0.08 -1.54 -0.06 0.00 -0.04 0.00 0.00 63.50 61.95 3k85 n PRO 22 Cb 0.49 -1.39 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.74 0.90 -0.59 0.54 3.20 -1.79 -1.94 116.97 120.04 3k85 h TYR 23 Ca 0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3k85 h TYR 23 Cb 0.62 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3k85 h TYR 23 CO 0.23 0.61 0.07 0.66 -1.64 0.00 0.00 178.16 178.09 3k85 h SER 24 N 0.93 0.95 -0.34 -2.11 4.64 -1.58 -0.27 113.55 115.77 3k85 h SER 24 Ca 0.25 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3k85 h SER 24 Cb -0.03 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 3k85 h SER 24 CO -0.05 0.99 0.23 0.44 -0.87 0.00 0.00 176.83 177.57 3k85 h ASP 25 N 0.88 0.39 0.00 4.97 3.32 -1.75 0.10 116.42 124.33 3k85 h ASP 25 Ca 0.18 -0.01 -0.38 0.00 0.02 0.00 0.00 57.03 56.83 3k85 h ASP 25 Cb 0.45 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 3k85 h ASP 25 CO 0.02 0.28 -2.44 -0.38 -1.72 0.00 0.00 179.24 175.00 3k85 n ILE 26 N -4.49 1.45 -0.06 0.35 5.41 -0.77 -4.46 119.36 116.79 3k85 n ILE 26 Ca 0.02 -0.67 -0.06 0.00 1.00 0.00 0.00 62.75 63.05 3k85 n ILE 26 Cb 0.07 -1.09 -0.10 0.00 -0.71 0.00 0.00 39.64 37.80 3k85 n ILE 26 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3k85 n TYR 27 N -3.08 0.00 0.00 1.39 4.01 -0.13 -5.01 117.16 114.34 3k85 n TYR 27 Ca -0.41 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 3k85 n TYR 27 Cb 1.05 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 2.21 1.02 3.72 2.72 0.00 0.02 -4.95 105.19 109.93 3k85 n GLY 28 Ca -0.20 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.29 1.62 -0.03 -0.02 0.00 0.16 -4.80 107.32 103.97 3k85 s GLY 29 Ca 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.28 3k85 s GLY 29 CO 0.00 -1.48 -0.01 1.08 0.00 0.00 0.00 173.10 172.69 3k85 s LEU 30 N -3.40 1.23 0.01 0.66 1.43 -1.26 0.31 118.68 117.65 3k85 s LEU 30 Ca 0.30 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3k85 s LEU 30 Cb -0.08 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.86 3k85 s LEU 30 CO 0.21 -0.08 -0.01 -0.63 0.23 0.00 0.00 176.35 176.06 3k85 s ILE 31 N 0.95 0.05 -0.20 -0.59 1.01 -1.26 -4.31 121.20 116.85 3k85 s ILE 31 Ca -0.10 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3k85 s ILE 31 Cb -0.14 -0.11 0.04 0.00 0.01 0.00 0.00 42.46 42.27 3k85 s ILE 31 CO -0.01 -0.17 -0.12 -0.22 0.00 0.00 0.00 174.94 174.41 3k85 s LEU 32 N -0.51 2.34 0.31 2.97 2.96 0.36 -4.17 118.68 122.94 3k85 s LEU 32 Ca -0.06 -0.87 0.03 0.00 -0.22 0.00 0.00 54.13 53.01 3k85 s LEU 32 Cb -0.04 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 3k85 s LEU 32 CO -0.00 -0.12 0.17 0.54 -1.32 0.00 0.00 176.35 175.61 3k85 s ASN 33 N 1.35 1.60 -0.19 3.68 2.20 -0.86 -0.60 114.94 122.12 3k85 s ASN 33 Ca -0.01 -1.58 -0.13 0.00 -0.94 0.00 0.00 52.86 50.21 3k85 s ASN 33 Cb -0.16 0.41 0.06 0.00 -2.00 0.00 0.00 41.25 39.56 3k85 s ASN 33 CO -0.09 -0.90 0.47 0.00 -2.94 0.00 0.00 177.10 173.64 3k85 s ALA 34 N -3.58 -1.20 0.35 3.54 0.00 -0.61 -1.38 121.76 118.89 3k85 s ALA 34 Ca 0.35 1.58 -0.25 0.00 0.00 0.00 0.00 51.96 53.64 3k85 s ALA 34 Cb 0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 23.12 22.13 3k85 s ALA 34 CO 0.18 -0.27 0.98 0.95 0.00 0.00 0.00 175.76 177.61 3k85 s THR 35 N 1.02 4.04 0.23 0.00 -4.23 -0.86 -0.73 115.64 115.11 3k85 s THR 35 Ca -0.06 1.62 0.09 0.00 -1.18 0.00 0.00 61.69 62.16 3k85 s THR 35 Cb -0.06 -3.87 -0.05 0.00 1.34 0.00 0.00 72.50 69.86 3k85 s THR 35 CO -0.09 0.07 -0.17 0.27 -0.54 0.00 0.00 174.62 174.16 3k85 s ILE 36 N -1.66 2.01 0.00 2.99 -4.36 0.29 -1.21 121.20 119.25 3k85 s ILE 36 Ca 0.53 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 3k85 s ILE 36 Cb -0.19 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.41 3k85 s ILE 36 CO 0.25 -0.49 0.78 -0.46 0.24 0.00 0.00 174.94 175.25 3k85 n ASN 37 N -0.38 2.09 -4.16 4.36 6.94 -0.16 -3.55 115.26 120.41 3k85 n ASN 37 Ca -0.08 -1.55 -0.33 0.00 -0.02 0.00 0.00 54.58 52.60 3k85 n ASN 37 Cb 0.60 -0.44 -0.15 0.00 -2.36 0.00 0.00 39.78 37.42 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 2.56 0.42 -4.53 1.02 -1.26 -4.92 118.68 111.97 3k85 s LEU 38 Ca 0.00 -0.72 0.07 0.00 0.02 0.00 0.00 54.13 53.50 3k85 s LEU 38 Cb 0.00 -1.56 -0.06 0.00 0.02 0.00 0.00 46.19 44.59 3k85 s LEU 38 CO 0.00 -0.04 0.10 -0.31 0.02 0.00 0.00 176.35 176.12 3k85 s TYR 39 N 1.31 2.54 -0.07 0.29 2.02 -1.26 -1.07 117.35 121.10 3k85 s TYR 39 Ca 0.03 -0.64 0.04 0.00 -0.37 0.00 0.00 57.07 56.13 3k85 s TYR 39 Cb -0.14 -1.87 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 3k85 s TYR 39 CO -0.09 0.30 -0.18 0.00 -1.57 0.00 0.00 175.55 174.00 3k85 s ALA 40 N -2.66 2.47 0.20 3.71 0.00 -0.64 -0.84 121.76 123.99 3k85 s ALA 40 Ca 0.37 -0.99 0.09 0.00 0.00 0.00 0.00 51.96 51.43 3k85 s ALA 40 Cb 0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 3k85 s ALA 40 CO 0.20 0.45 -0.17 0.71 0.00 0.00 0.00 175.76 176.95 3k85 s TYR 41 N -0.33 1.85 -0.17 0.00 2.02 -0.04 -1.58 117.35 119.10 3k85 s TYR 41 Ca 0.02 -0.49 -0.28 0.00 -0.37 0.00 0.00 57.07 55.96 3k85 s TYR 41 Cb -0.13 -0.88 0.08 0.00 -0.40 0.00 0.00 41.96 40.63 3k85 s TYR 41 CO 0.02 0.39 0.74 0.00 -1.57 0.00 0.00 175.55 175.14 3k85 s THR 43 N -0.42 0.17 -0.11 0.00 -1.32 -0.74 -0.79 115.64 112.43 3k85 s THR 43 Ca -0.05 -0.08 0.01 0.00 -1.21 0.00 0.00 61.69 60.36 3k85 s THR 43 Cb -0.03 -0.15 0.02 0.00 -1.51 0.00 0.00 72.50 70.83 3k85 s THR 43 CO 0.04 0.05 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.74 3k85 s ILE 44 N -0.00 1.44 -0.14 5.08 1.01 0.88 -1.81 121.20 127.65 3k85 s ILE 44 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3k85 s ILE 44 Cb -0.01 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.14 3k85 s ILE 44 CO -0.00 0.43 -0.15 -1.83 0.00 0.00 0.00 174.94 173.39 3k85 s GLU 45 N 1.14 2.33 -0.23 2.79 -1.05 -0.36 -1.02 118.70 122.29 3k85 s GLU 45 Ca -0.04 -0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 53.92 3k85 s GLU 45 Cb -0.14 -2.10 -0.03 0.00 -0.44 0.00 0.00 34.13 31.42 3k85 s GLU 45 CO -0.04 -0.21 1.66 -2.00 0.95 0.00 0.00 175.26 175.63 3k85 s GLU 46 N 1.40 3.73 0.34 -4.83 2.12 -1.26 0.00 118.70 120.20 3k85 s GLU 46 Ca 0.03 1.66 0.07 0.00 0.36 0.00 0.00 54.97 57.09 3k85 s GLU 46 Cb -0.13 -4.07 -0.01 0.00 0.26 0.00 0.00 34.13 30.18 3k85 s GLU 46 CO -0.09 -1.38 0.45 -0.08 -0.54 0.00 0.00 175.26 173.61 3k85 s THR 47 N 5.48 3.84 -0.42 -1.70 -1.32 0.05 -4.89 115.64 116.67 3k85 s THR 47 Ca 0.74 -1.07 0.08 0.00 -1.21 0.00 0.00 61.69 60.22 3k85 s THR 47 Cb -0.25 -3.32 0.42 0.00 -1.51 0.00 0.00 72.50 67.84 3k85 s THR 47 CO 0.30 -0.14 1.06 0.59 -2.21 0.00 0.00 174.62 174.22 3k85 n ASN 48 N -1.61 3.98 -1.91 8.08 3.02 -1.26 -4.24 115.26 121.32 3k85 n ASN 48 Ca 0.00 -3.51 -0.09 0.00 -0.03 0.00 0.00 54.58 50.96 3k85 n ASN 48 Cb 0.59 -0.48 0.06 0.00 -0.61 0.00 0.00 39.78 39.33 3k85 n ASN 48 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k85 n SER 49 N -0.37 3.05 -3.64 6.41 3.41 -1.26 -4.98 113.62 116.24 3k85 n SER 49 Ca 0.32 -3.15 -0.26 0.00 -0.26 0.00 0.00 58.87 55.53 3k85 n SER 49 Cb 0.67 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 3k85 n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k85 n GLY 50 N -0.63 -0.19 3.22 5.00 0.00 -1.26 -4.85 105.19 106.48 3k85 n GLY 50 Ca 0.26 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -5.57 1.21 -0.24 1.61 6.06 -1.26 -2.77 118.95 117.99 3k85 s ARG 51 Ca 0.31 -1.63 -0.04 0.00 -2.50 0.00 0.00 55.73 51.87 3k85 s ARG 51 Cb -0.18 0.12 0.10 0.00 0.06 0.00 0.00 34.95 35.05 3k85 s ARG 51 CO 0.69 -0.34 0.18 -1.50 -2.50 0.00 0.00 175.30 171.82 3k85 s ILE 52 N -4.03 -0.20 -0.09 4.11 2.07 -0.71 -2.00 121.20 120.34 3k85 s ILE 52 Ca 0.36 -0.41 -0.12 0.00 -1.41 0.00 0.00 60.65 59.07 3k85 s ILE 52 Cb 0.07 -0.81 -0.05 0.00 0.13 0.00 0.00 42.46 41.80 3k85 s ILE 52 CO 0.11 -0.44 0.30 -1.61 -1.91 0.00 0.00 174.94 171.38 3k85 s GLU 53 N 2.22 3.92 -0.20 3.50 2.02 -0.80 -1.64 118.70 127.72 3k85 s GLU 53 Ca 0.07 0.16 0.01 0.00 0.02 0.00 0.00 54.97 55.23 3k85 s GLU 53 Cb -0.16 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 30.83 3k85 s GLU 53 CO -0.24 0.54 -0.10 0.42 0.02 0.00 0.00 175.26 175.91 3k85 s ILE 54 N -0.49 1.66 -0.73 -1.63 1.01 -0.20 -1.24 121.20 119.58 3k85 s ILE 54 Ca 0.19 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3k85 s ILE 54 Cb -0.14 -1.74 0.20 0.00 0.01 0.00 0.00 42.46 40.79 3k85 s ILE 54 CO 0.07 0.16 0.63 -3.20 0.00 0.00 0.00 174.94 172.61 3k85 n ASN 55 N 4.67 3.50 -4.35 3.58 5.15 -0.73 -2.25 115.26 124.82 3k85 n ASN 55 Ca -0.15 -3.27 -0.45 0.00 -0.60 0.00 0.00 54.58 50.11 3k85 n ASN 55 Cb 0.46 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 3k85 n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k85 n ALA 56 N 1.68 4.20 -0.39 5.20 0.00 0.54 -1.56 120.51 130.19 3k85 n ALA 56 Ca 0.23 -4.58 0.32 0.00 0.00 0.00 0.00 53.44 49.41 3k85 n ALA 56 Cb 0.37 -2.59 0.63 0.00 0.00 0.00 0.00 19.45 17.86 3k85 n ALA 56 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3k85 h TYR 57 N 6.70 0.42 0.00 0.00 0.05 -1.35 0.90 116.97 123.68 3k85 h TYR 57 Ca 0.21 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3k85 h TYR 57 Cb 0.86 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.49 3k85 h TYR 57 CO 0.84 -0.04 0.00 0.38 -1.05 0.00 0.00 178.16 178.29 3k85 h ASP 58 N 0.18 0.00 -0.11 3.88 2.03 -1.90 -3.13 116.42 117.36 3k85 h ASP 58 Ca 0.68 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.94 3k85 h ASP 58 Cb 2.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.65 3k85 h ASP 58 CO -0.25 0.00 -0.17 0.00 -1.03 0.00 0.00 179.24 177.79 3k85 n ALA 59 N -1.97 3.23 -3.82 4.15 0.00 0.30 -4.93 120.51 117.47 3k85 n ALA 59 Ca 0.04 -2.89 -0.24 0.00 0.00 0.00 0.00 53.44 50.35 3k85 n ALA 59 Cb 0.44 -0.50 0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.13 -0.63 -3.69 0.00 3.00 -0.40 -4.39 117.38 110.13 3k85 n GLN 60 Ca 0.21 -0.14 -0.14 0.00 -0.01 0.00 0.00 57.00 56.93 3k85 n GLN 60 Cb 0.78 -0.88 -0.14 0.00 0.00 0.00 0.00 30.24 30.00 3k85 n GLN 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k85 s LYS 63 N -2.40 2.36 0.00 0.00 1.02 -0.96 -4.91 119.74 114.86 3k85 s LYS 63 Ca 0.41 -1.79 0.05 0.00 0.02 0.00 0.00 55.97 54.65 3k85 s LYS 63 Cb 0.30 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 3k85 s LYS 63 CO -0.09 -0.46 -0.15 0.45 -0.92 0.00 0.00 175.35 174.18 3k85 s SER 64 N -4.24 1.74 0.18 2.83 0.15 -1.26 -1.04 113.70 112.07 3k85 s SER 64 Ca 0.43 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.77 3k85 s SER 64 Cb -0.03 -0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.07 3k85 s SER 64 CO 0.26 0.14 0.01 -0.31 1.20 0.00 0.00 173.24 174.54 3k85 s TYR 65 N -0.49 1.26 0.15 3.44 2.02 -0.65 -4.99 117.35 118.09 3k85 s TYR 65 Ca 0.05 -1.03 -0.30 0.00 -0.37 0.00 0.00 57.07 55.42 3k85 s TYR 65 Cb -0.06 -0.72 -0.07 0.00 -0.40 0.00 0.00 41.96 40.71 3k85 s TYR 65 CO 0.00 -0.21 1.16 -0.51 -1.57 0.00 0.00 175.55 174.42 3k85 s LEU 66 N -3.19 4.44 0.09 -1.29 1.43 -1.26 -1.74 118.68 117.16 3k85 s LEU 66 Ca 0.25 2.12 -0.31 0.00 -1.03 0.00 0.00 54.13 55.16 3k85 s LEU 66 Cb 0.06 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.60 3k85 s LEU 66 CO 0.05 -0.34 1.54 -0.55 0.23 0.00 0.00 176.35 177.29 3k85 s SER 67 N 0.28 6.68 -0.16 2.29 0.15 -1.11 -4.76 113.70 117.06 3k85 s SER 67 Ca 0.53 2.42 0.15 0.00 0.70 0.00 0.00 55.95 59.76 3k85 s SER 67 Cb -0.30 -2.57 -0.22 0.00 -1.71 0.00 0.00 66.02 61.22 3k85 s SER 67 CO 0.34 -0.80 0.09 -1.20 1.20 0.00 0.00 173.24 172.86 3k85 n SER 69 N 4.90 0.78 -4.00 5.45 7.64 -1.26 -4.77 113.62 122.35 3k85 n SER 69 Ca 0.14 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.94 3k85 n SER 69 Cb 0.41 1.00 -0.09 0.00 -1.01 0.00 0.00 64.21 64.51 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 -2.48 0.65 -0.16 1.43 -1.52 -1.26 -4.79 119.66 111.52 3k85 s GLN 70 Ca -0.08 -1.04 0.00 0.00 -1.95 0.00 0.00 55.36 52.29 3k85 s GLN 70 Cb 0.06 0.24 0.03 0.00 -0.22 0.00 0.00 33.01 33.12 3k85 s GLN 70 CO 0.71 -0.15 -0.09 -0.51 -0.25 0.00 0.00 175.29 174.99 3k85 s LEU 71 N -2.68 1.73 0.60 2.90 1.43 -1.26 -5.09 118.68 116.31 3k85 s LEU 71 Ca 0.03 -0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 52.33 3k85 s LEU 71 Cb 0.05 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.16 3k85 s LEU 71 CO -0.09 -0.13 0.71 -1.84 0.23 0.00 0.00 176.35 175.22 3k85 n GLU 72 N 4.81 0.63 -3.07 1.70 0.00 -1.26 -4.87 120.64 118.58 3k85 n GLU 72 Ca -0.14 0.25 -0.44 0.00 0.00 0.00 0.00 57.16 56.83 3k85 n GLU 72 Cb 0.48 -1.91 -0.00 0.00 0.00 0.00 0.00 31.44 30.01 3k85 n GLU 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3k85 s ILE 73 N -1.66 5.29 0.57 3.84 1.09 -1.26 -4.81 121.20 124.25 3k85 s ILE 73 Ca 0.72 -2.72 0.25 0.00 -1.10 0.00 0.00 60.65 57.80 3k85 s ILE 73 Cb -0.42 -4.80 0.33 0.00 -1.06 0.00 0.00 42.46 36.51 3k85 s ILE 73 CO 0.51 -1.47 2.22 0.44 -0.10 0.00 0.00 174.94 176.55 3k85 h ASP 74 N 7.24 0.00 0.00 3.58 3.45 -1.97 -3.44 116.42 125.28 3k85 h ASP 74 Ca 0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.71 3k85 h ASP 74 Cb 0.90 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.67 3k85 h ASP 74 CO 1.14 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 179.42 3k85 n GLY 75 N -1.39 1.19 3.19 2.75 0.00 -1.26 -5.08 105.19 104.58 3k85 n GLY 75 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.43 3.11 -1.24 1.61 2.02 -1.26 -4.65 118.70 117.86 3k85 s GLU 76 Ca 0.00 -0.78 -0.04 0.00 0.02 0.00 0.00 54.97 54.17 3k85 s GLU 76 Cb 0.00 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3k85 s GLU 76 CO 0.00 -0.15 1.06 0.00 0.02 0.00 0.00 175.26 176.18 3k85 n ALA 77 N 4.52 -1.63 -0.24 5.21 0.00 -1.26 -4.87 120.51 122.24 3k85 n ALA 77 Ca -0.20 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 3k85 n ALA 77 Cb 0.51 -3.82 0.06 0.00 0.00 0.00 0.00 19.45 16.19 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 -2.22 0.74 -0.45 0.00 0.02 -1.96 -1.00 113.55 108.68 3k85 h SER 78 Ca -0.56 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.39 3k85 h SER 78 Cb 1.34 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 3k85 h SER 78 CO 0.51 0.53 0.27 -0.07 -1.14 0.00 0.00 176.83 176.94 3k85 h LEU 79 N 0.88 0.45 -0.06 5.07 4.07 -1.97 1.53 115.31 125.28 3k85 h LEU 79 Ca 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.19 3k85 h LEU 79 Cb -0.06 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.58 3k85 h LEU 79 CO -0.07 0.32 -0.05 0.40 -1.08 0.00 0.00 178.44 177.96 3k85 h ILE 80 N 0.55 1.36 -0.70 1.22 2.04 -1.91 -1.58 117.51 118.49 3k85 h ILE 80 Ca 0.18 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 3k85 h ILE 80 Cb -0.00 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3k85 h ILE 80 CO -0.07 0.32 0.38 0.11 0.00 0.00 0.00 178.15 178.89 3k85 h LYS 81 N -0.29 0.97 -0.60 2.37 1.57 -1.01 -1.43 116.57 118.15 3k85 h LYS 81 Ca 0.01 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3k85 h LYS 81 Cb 0.54 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 3k85 h LYS 81 CO 0.01 0.73 0.31 0.78 -0.57 0.00 0.00 179.45 180.71 3k85 h GLY 82 N 0.96 0.86 0.65 3.86 0.00 0.22 -0.74 103.07 108.88 3k85 h GLY 82 Ca 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3k85 h GLY 82 CO -0.04 0.12 -0.04 -2.08 0.00 0.00 0.00 176.54 174.50 3k85 h VAL 83 N 0.59 1.12 -0.37 4.60 2.07 -0.94 -3.04 116.25 120.28 3k85 h VAL 83 Ca 0.27 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 67.10 3k85 h VAL 83 Cb 0.18 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 3k85 h VAL 83 CO -0.18 0.19 -0.11 0.22 0.02 0.00 0.00 177.57 177.70 3k85 h TYR 84 N -0.46 -0.26 -0.23 1.57 3.20 -1.04 -1.80 116.97 117.95 3k85 h TYR 84 Ca -0.01 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3k85 h TYR 84 Cb 0.39 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 3k85 h TYR 84 CO 0.04 -0.19 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.43 3k85 h ASN 85 N -0.03 -0.17 -0.95 -2.11 2.35 -1.18 -1.49 115.58 112.00 3k85 h ASN 85 Ca 0.18 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 3k85 h ASN 85 Cb 0.31 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 3k85 h ASN 85 CO -0.40 -0.06 0.61 -0.09 -1.65 0.00 0.00 177.43 175.85 3k85 h ARG 86 N 0.02 1.13 -0.59 0.81 9.65 -1.36 -2.10 114.38 121.94 3k85 h ARG 86 Ca 0.11 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 3k85 h ARG 86 Cb 0.16 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 3k85 h ARG 86 CO -0.22 0.75 0.25 0.82 2.80 0.00 0.00 179.97 184.37 3k85 h ILE 87 N 1.16 1.22 -0.58 1.20 1.08 -0.63 0.12 117.51 121.09 3k85 h ILE 87 Ca 0.39 -0.68 -0.04 0.00 -0.39 0.00 0.00 64.86 64.14 3k85 h ILE 87 Cb 0.05 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 3k85 h ILE 87 CO -0.14 0.27 0.19 0.40 -0.69 0.00 0.00 178.15 178.18 3k85 h ILE 88 N 0.82 1.24 0.38 -0.67 1.08 -0.92 -2.73 117.51 116.71 3k85 h ILE 88 Ca 0.20 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 3k85 h ILE 88 Cb 0.18 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 3k85 h ILE 88 CO -0.02 0.30 -0.18 0.03 -0.69 0.00 0.00 178.15 177.59 3k85 h ARG 89 N 0.81 -0.49 -0.03 2.37 3.08 -1.10 0.21 114.38 119.23 3k85 h ARG 89 Ca 0.19 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3k85 h ARG 89 Cb 0.26 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3k85 h ARG 89 CO -0.01 -0.19 0.09 -0.44 -1.07 0.00 0.00 179.97 178.36 3k85 h ASP 90 N -0.84 0.00 0.00 7.04 5.19 -1.02 -2.87 116.42 123.92 3k85 h ASP 90 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3k85 h ASP 90 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 3k85 h ASP 90 CO 0.09 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.99 3k85 n TYR 91 N -3.28 0.00 -3.83 4.55 4.01 -1.03 -5.03 117.16 112.55 3k85 n TYR 91 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 3k85 n TYR 91 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.26 -3.06 -3.75 -0.72 1.74 0.71 -4.97 116.66 106.35 3k85 n ARG 92 Ca 0.00 0.46 -0.28 0.00 -0.77 0.00 0.00 57.85 57.26 3k85 n ARG 92 Cb 0.02 -4.54 -0.03 0.00 -1.02 0.00 0.00 32.46 26.88 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 -6.78 4.26 0.76 0.55 1.43 -1.12 -5.06 118.68 112.72 3k85 s LEU 93 Ca 0.13 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 3k85 s LEU 93 Cb -0.05 -3.13 0.05 0.00 0.03 0.00 0.00 46.19 43.10 3k85 s LEU 93 CO 0.87 0.01 1.10 -1.61 0.23 0.00 0.00 176.35 176.94 3k85 s GLU 94 N -3.14 2.28 0.80 1.70 2.02 -1.26 -4.91 118.70 116.18 3k85 s GLU 94 Ca 0.38 1.22 -0.15 0.00 0.02 0.00 0.00 54.97 56.44 3k85 s GLU 94 Cb -0.11 -1.90 -0.00 0.00 0.10 0.00 0.00 34.13 32.22 3k85 s GLU 94 CO 0.28 -1.63 0.60 -2.30 0.02 0.00 0.00 175.26 172.23 3k85 n PRO 95 N -3.40 0.14 -4.33 0.39 -0.02 -1.26 -4.99 135.00 121.53 3k85 n PRO 95 Ca 0.09 0.10 -0.25 0.00 -2.02 0.00 0.00 63.50 61.42 3k85 n PRO 95 Cb 0.53 -1.94 -0.12 0.00 -0.02 0.00 0.00 33.50 31.95 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 -3.20 1.25 -0.20 -0.52 3.01 -1.26 -5.06 119.74 113.75 3k85 s LYS 96 Ca 0.64 -1.29 -0.04 0.00 -1.01 0.00 0.00 55.97 54.28 3k85 s LYS 96 Cb -0.30 -1.51 -0.01 0.00 -1.01 0.00 0.00 37.83 34.99 3k85 s LYS 96 CO 0.59 0.34 -0.04 0.45 0.51 0.00 0.00 175.35 177.21 3k85 s SER 97 N -2.18 4.45 0.06 2.83 0.15 -1.26 -4.73 113.70 113.03 3k85 s SER 97 Ca 0.11 -0.32 -0.27 0.00 0.70 0.00 0.00 55.95 56.17 3k85 s SER 97 Cb -0.09 -1.75 0.09 0.00 -1.71 0.00 0.00 66.02 62.55 3k85 s SER 97 CO 0.06 0.03 0.93 0.72 1.20 0.00 0.00 173.24 176.18 3k85 s PHE 98 N 1.17 -0.24 -0.14 3.44 -0.12 -0.85 -0.77 117.98 120.47 3k85 s PHE 98 Ca 0.02 0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 3k85 s PHE 98 Cb -0.14 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.82 3k85 s PHE 98 CO -0.00 -0.66 -0.14 0.21 -0.05 0.00 0.00 175.22 174.57 3k85 s LYS 99 N -3.18 3.30 -0.06 1.99 2.20 0.10 -1.91 119.74 122.18 3k85 s LYS 99 Ca 0.08 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 55.01 3k85 s LYS 99 Cb -0.01 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 3k85 s LYS 99 CO -0.04 0.11 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.39 3k85 s ILE 100 N 0.60 1.43 0.01 5.43 2.07 -0.38 -1.23 121.20 129.14 3k85 s ILE 100 Ca -0.08 -0.68 0.09 0.00 -1.41 0.00 0.00 60.65 58.56 3k85 s ILE 100 Cb -0.16 -1.26 -0.02 0.00 0.13 0.00 0.00 42.46 41.15 3k85 s ILE 100 CO 0.03 0.42 -0.26 -0.89 -1.91 0.00 0.00 174.94 172.33 3k85 s THR 101 N 0.32 2.08 -0.09 4.00 2.01 -0.75 -1.78 115.64 121.44 3k85 s THR 101 Ca -0.11 -1.23 -0.09 0.00 0.31 0.00 0.00 61.69 60.58 3k85 s THR 101 Cb -0.14 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.64 3k85 s THR 101 CO 0.04 0.49 0.25 -0.89 -0.69 0.00 0.00 174.62 173.82 3k85 s THR 102 N -0.69 0.00 0.02 -0.82 2.01 -0.60 -1.79 115.64 113.77 3k85 s THR 102 Ca 0.11 -0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.80 3k85 s THR 102 Cb -0.10 -0.36 0.06 0.00 0.01 0.00 0.00 72.50 72.11 3k85 s THR 102 CO 0.00 -0.02 0.61 -0.72 -0.69 0.00 0.00 174.62 173.80 3k85 s TYR 103 N 0.04 -0.56 0.29 4.92 -0.85 -1.09 -1.11 117.35 118.99 3k85 s TYR 103 Ca -0.01 0.76 0.12 0.00 -0.52 0.00 0.00 57.07 57.41 3k85 s TYR 103 Cb -0.02 0.42 -0.05 0.00 0.38 0.00 0.00 41.96 42.69 3k85 s TYR 103 CO 0.01 -0.67 -0.18 1.21 -1.52 0.00 0.00 175.55 174.39 3k85 s ASN 104 N -1.75 3.64 0.01 -0.18 3.84 -1.26 -0.86 114.94 118.36 3k85 s ASN 104 Ca -0.07 -1.03 0.24 0.00 0.21 0.00 0.00 52.86 52.21 3k85 s ASN 104 Cb -0.01 -0.32 0.23 0.00 -0.55 0.00 0.00 41.25 40.60 3k85 s ASN 104 CO 0.02 0.02 1.21 0.47 -2.79 0.00 0.00 177.10 176.02 3k85 n ASP 105 N -0.64 0.67 -3.86 -4.21 8.00 -0.02 -4.88 116.55 111.60 3k85 n ASP 105 Ca -0.05 -0.47 -0.14 0.00 0.71 0.00 0.00 54.79 54.83 3k85 n ASP 105 Cb 0.60 0.54 -0.15 0.00 -0.02 0.00 0.00 41.12 42.09 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 -3.02 0.15 1.09 2.24 0.00 -1.26 -4.96 121.76 116.00 3k85 s ALA 106 Ca 0.09 0.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 3k85 s ALA 106 Cb 0.17 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.21 3k85 s ALA 106 CO 0.76 -0.01 -0.23 -0.35 0.00 0.00 0.00 175.76 175.93 3k85 n PRO 107 N 3.46 -1.24 -0.24 0.00 -0.04 -1.26 -4.90 135.00 130.78 3k85 n PRO 107 Ca -0.18 -0.35 -0.12 0.00 -0.04 0.00 0.00 63.50 62.81 3k85 n PRO 107 Cb 0.56 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 3k85 n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k85 h ALA 108 N -1.85 -0.68 -3.00 0.55 0.00 -2.00 -3.36 119.26 108.92 3k85 h ALA 108 Ca -0.51 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3k85 h ALA 108 Cb 1.36 1.21 0.00 0.00 0.00 0.00 0.00 17.79 20.36 3k85 h ALA 108 CO 0.35 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 179.02 3k85 n GLY 109 N -1.32 -0.73 4.78 0.00 0.00 -1.26 -4.61 105.19 102.06 3k85 n GLY 109 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3k85 n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k85 n SER 110 N 0.00 0.00 -0.96 1.61 7.64 -1.25 -4.12 113.62 116.54 3k85 n SER 110 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 3k85 n SER 110 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.24 0.05 0.23 0.00 -1.17 -4.46 105.19 100.08 3k85 n GLY 111 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.22 2.24 -0.01 0.99 4.77 -1.26 -4.45 117.00 118.07 3k85 n LEU 112 Ca -0.05 -2.79 -0.00 0.00 -0.03 0.00 0.00 56.01 53.14 3k85 n LEU 112 Cb 0.54 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3k85 n LEU 112 CO 0.12 0.65 -0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3k85 n GLY 113 N -1.18 0.41 0.32 -0.72 0.00 -1.26 -2.14 105.19 100.62 3k85 n GLY 113 Ca 0.12 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 3k85 n GLY 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3k85 n THR 114 N -3.00 -0.51 0.01 2.61 -1.04 -1.26 -0.38 114.28 110.71 3k85 n THR 114 Ca -0.00 1.88 -0.10 0.00 -2.04 0.00 0.00 64.05 63.79 3k85 n THR 114 Cb 0.00 -2.34 -0.04 0.00 -1.82 0.00 0.00 70.33 66.13 3k85 n THR 114 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3k85 h SER 115 N 0.00 -0.22 -0.26 8.00 0.87 -1.92 -2.52 113.55 117.49 3k85 h SER 115 Ca 0.15 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 3k85 h SER 115 Cb 0.34 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 3k85 h SER 115 CO -0.74 -0.10 -0.01 0.28 -0.53 0.00 0.00 176.83 175.74 3k85 h SER 116 N -0.08 0.54 0.00 6.23 0.02 -1.50 -2.09 113.55 116.68 3k85 h SER 116 Ca 0.06 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3k85 h SER 116 Cb 0.17 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3k85 h SER 116 CO -0.14 0.62 0.00 0.41 -1.14 0.00 0.00 176.83 176.58 3k85 n THR 117 N -4.26 0.29 0.00 -2.27 -1.04 0.49 -1.44 114.28 106.05 3k85 n THR 117 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3k85 n THR 117 Cb 0.26 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 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 0.63 0.00 -0.18 12.58 0.31 -0.79 -0.87 118.33 130.01 3k85 n VAL 119 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3k85 n VAL 119 Cb 0.18 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.13 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 1.14 -0.50 2.52 2.07 -1.51 0.08 116.25 120.06 3k85 h VAL 120 Ca 0.00 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3k85 h VAL 120 Cb 0.00 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 3k85 h VAL 120 CO 0.00 0.14 0.28 0.00 0.02 0.00 0.00 177.57 178.01 3k85 h ILE 122 N 0.54 1.26 0.21 0.00 2.04 -1.71 -2.08 117.51 117.77 3k85 h ILE 122 Ca 0.21 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3k85 h ILE 122 Cb 0.07 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3k85 h ILE 122 CO -0.12 0.39 -0.14 -0.07 0.00 0.00 0.00 178.15 178.21 3k85 h LEU 123 N 0.91 -0.35 -0.90 1.44 3.38 -0.37 -1.65 115.31 117.76 3k85 h LEU 123 Ca 0.17 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.33 3k85 h LEU 123 Cb 0.48 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 3k85 h LEU 123 CO 0.02 -0.22 0.49 0.11 0.09 0.00 0.00 178.44 178.93 3k85 h LYS 124 N -0.34 0.66 0.16 1.13 1.79 -0.70 0.47 116.57 119.74 3k85 h LYS 124 Ca -0.02 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3k85 h LYS 124 Cb 0.29 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3k85 h LYS 124 CO 0.01 0.43 -0.08 0.00 -1.08 0.00 0.00 179.45 178.73 3k85 h ALA 125 N 1.59 -0.23 -0.81 3.86 0.00 -0.85 -0.78 119.26 122.04 3k85 h ALA 125 Ca 0.50 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.39 3k85 h ALA 125 Cb 0.72 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3k85 h ALA 125 CO -0.37 -0.63 0.53 0.74 0.00 0.00 0.00 179.25 179.52 3k85 h PHE 126 N -0.23 0.99 -0.70 0.00 0.04 -0.24 0.56 116.94 117.36 3k85 h PHE 126 Ca -0.02 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.81 3k85 h PHE 126 Cb 0.18 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 3k85 h PHE 126 CO -0.07 0.59 0.43 0.82 -0.60 0.00 0.00 178.31 179.48 3k85 h ILE 127 N 1.04 1.08 -0.16 -0.55 2.04 0.18 0.33 117.51 121.47 3k85 h ILE 127 Ca 0.32 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 3k85 h ILE 127 Cb -0.04 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3k85 h ILE 127 CO -0.10 0.15 -0.14 -0.08 0.00 0.00 0.00 178.15 177.99 3k85 h GLU 128 N 0.84 0.38 -0.24 2.37 4.57 -0.42 0.29 114.58 122.37 3k85 h GLU 128 Ca 0.28 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3k85 h GLU 128 Cb 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3k85 h GLU 128 CO -0.11 0.74 -0.02 2.35 -1.18 0.00 0.00 179.01 180.79 3k85 h TRP 129 N 0.03 0.37 0.00 0.92 -0.00 0.52 -3.26 115.95 114.54 3k85 h TRP 129 Ca 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3k85 h TRP 129 Cb 0.66 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 29.71 3k85 h TRP 129 CO 0.08 0.40 0.00 1.28 -0.00 0.00 0.00 178.44 180.20 3k85 n LEU 130 N -4.32 1.62 -3.71 0.65 4.77 0.11 -5.02 117.00 111.10 3k85 n LEU 130 Ca 0.00 -1.62 -0.23 0.00 -0.03 0.00 0.00 56.01 54.13 3k85 n LEU 130 Cb 0.22 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3k85 n LEU 130 CO 0.38 0.41 0.03 -1.20 -1.33 0.00 0.00 177.39 175.68 3k85 n SER 131 N -0.37 -2.76 -4.73 -1.43 7.64 0.95 -4.93 113.62 107.98 3k85 n SER 131 Ca 0.00 -0.75 -0.42 0.00 1.01 0.00 0.00 58.87 58.71 3k85 n SER 131 Cb 0.24 -4.25 -0.03 0.00 -1.01 0.00 0.00 64.21 59.16 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 -6.86 4.40 -1.10 -3.43 1.43 -0.71 -4.90 118.68 107.51 3k85 s LEU 132 Ca 0.24 2.33 -0.17 0.00 -1.03 0.00 0.00 54.13 55.49 3k85 s LEU 132 Cb -0.11 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.44 3k85 s LEU 132 CO 0.80 -0.54 2.11 -0.81 0.23 0.00 0.00 176.35 178.14 3k85 n PRO 133 N 3.08 2.20 -3.83 1.29 -0.04 -1.26 -4.83 135.00 131.61 3k85 n PRO 133 Ca 0.08 -2.15 -0.26 0.00 -0.04 0.00 0.00 63.50 61.13 3k85 n PRO 133 Cb 0.43 -3.04 -0.17 0.00 -0.04 0.00 0.00 33.50 30.69 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 1.48 1.02 0.00 1.53 1.43 -1.26 -5.08 118.68 117.80 3k85 s LEU 134 Ca 0.53 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3k85 s LEU 134 Cb 0.14 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.70 3k85 s LEU 134 CO 0.01 -0.18 0.04 0.61 0.23 0.00 0.00 176.35 177.06 3k85 n GLY 135 N 5.03 1.57 0.43 -3.19 0.00 -1.26 -4.77 105.19 102.99 3k85 n GLY 135 Ca -0.10 -2.08 -0.13 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 -0.01 -1.55 -0.12 1.61 3.32 -1.99 0.17 116.42 117.86 3k85 h ASP 136 Ca -0.01 0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.26 3k85 h ASP 136 Cb 0.05 0.63 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3k85 h ASP 136 CO 0.02 -0.43 -0.03 1.88 -1.72 0.00 0.00 179.24 178.95 3k85 h TYR 137 N -0.48 -0.06 -0.85 4.55 0.05 -1.97 -0.90 116.97 117.31 3k85 h TYR 137 Ca 0.07 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.89 3k85 h TYR 137 Cb 0.64 0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.37 3k85 h TYR 137 CO -0.58 -0.05 0.56 0.93 -1.05 0.00 0.00 178.16 177.97 3k85 h GLU 138 N 0.00 1.08 -0.16 4.88 3.07 -1.86 -0.78 114.58 120.81 3k85 h GLU 138 Ca 0.06 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3k85 h GLU 138 Cb 0.09 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 3k85 h GLU 138 CO -0.12 0.71 0.08 1.15 -1.40 0.00 0.00 179.01 179.44 3k85 h THR 139 N 1.11 1.12 -0.48 1.13 2.02 -0.26 0.50 112.91 118.05 3k85 h THR 139 Ca 0.33 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3k85 h THR 139 Cb -0.06 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3k85 h THR 139 CO -0.09 0.11 0.30 0.28 0.37 0.00 0.00 175.52 176.48 3k85 h SER 140 N 0.15 0.57 0.39 4.18 0.02 -0.85 0.29 113.55 118.29 3k85 h SER 140 Ca 0.06 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3k85 h SER 140 Cb 0.10 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3k85 h SER 140 CO -0.01 0.45 -0.19 -0.09 -1.14 0.00 0.00 176.83 175.85 3k85 h ARG 141 N 0.64 -0.50 -0.85 3.45 2.43 -0.88 0.00 114.38 118.68 3k85 h ARG 141 Ca 0.17 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 3k85 h ARG 141 Cb -0.02 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 3k85 h ARG 141 CO -0.03 -0.33 0.51 1.25 -1.51 0.00 0.00 179.97 179.85 3k85 h LEU 142 N -0.52 0.76 -0.00 3.80 5.85 0.25 0.25 115.31 125.70 3k85 h LEU 142 Ca -0.05 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3k85 h LEU 142 Cb 0.40 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3k85 h LEU 142 CO 0.09 0.46 0.00 0.00 -0.34 0.00 0.00 178.44 178.65 3k85 h ALA 143 N 1.43 0.00 0.25 1.25 0.00 -0.02 -0.82 119.26 121.36 3k85 h ALA 143 Ca 0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3k85 h ALA 143 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3k85 h ALA 143 CO -0.21 -0.46 -0.17 -0.92 0.00 0.00 0.00 179.25 177.49 3k85 h TYR 144 N -0.07 -0.44 -0.72 0.00 3.20 -0.52 -0.44 116.97 117.98 3k85 h TYR 144 Ca 0.00 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.99 3k85 h TYR 144 Cb 0.08 0.16 -0.09 0.00 1.54 0.00 0.00 36.73 38.42 3k85 h TYR 144 CO -0.05 -0.26 0.29 0.93 -1.64 0.00 0.00 178.16 177.43 3k85 h GLU 145 N -0.41 0.45 -0.49 1.82 5.08 -0.87 0.82 114.58 120.96 3k85 h GLU 145 Ca -0.02 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3k85 h GLU 145 Cb 0.35 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3k85 h GLU 145 CO 0.02 0.30 -0.10 0.82 -1.00 0.00 0.00 179.01 179.04 3k85 h ILE 146 N 0.46 1.27 0.19 3.13 2.04 -0.86 -1.71 117.51 122.03 3k85 h ILE 146 Ca 0.38 -1.24 -0.30 0.00 1.00 0.00 0.00 64.86 64.71 3k85 h ILE 146 Cb 0.54 1.06 0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3k85 h ILE 146 CO -0.37 0.43 -1.40 -0.08 0.00 0.00 0.00 178.15 176.73 3k85 h GLU 147 N 0.79 0.41 0.00 2.37 4.81 -0.39 -1.71 114.58 120.86 3k85 h GLU 147 Ca 0.13 -0.70 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3k85 h GLU 147 Cb 0.66 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3k85 h GLU 147 CO 0.05 1.33 -0.54 0.54 -0.73 0.00 0.00 179.01 179.66 3k85 n ARG 148 N -3.81 0.18 0.00 1.92 5.12 0.28 -0.83 116.66 119.52 3k85 n ARG 148 Ca -0.20 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 3k85 n ARG 148 Cb 1.01 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 3k85 n ARG 148 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3k85 n LYS 149 N -1.88 0.00 -0.30 5.56 4.76 -0.68 -4.12 118.16 121.49 3k85 n LYS 149 Ca 0.04 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.61 3k85 n LYS 149 Cb 0.40 0.00 0.28 0.00 -1.84 0.00 0.00 35.03 33.87 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 -0.14 0.10 4.39 5.19 -1.44 0.19 116.42 124.71 3k85 h ASP 150 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3k85 h ASP 150 Cb 0.00 0.32 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3k85 h ASP 150 CO 0.00 -0.21 -0.46 0.18 -3.12 0.00 0.00 179.24 175.63 3k85 n LEU 151 N -5.30 1.49 -3.67 1.55 4.77 -0.65 -4.98 117.00 110.21 3k85 n LEU 151 Ca 0.21 -0.52 -0.25 0.00 -0.03 0.00 0.00 56.01 55.42 3k85 n LEU 151 Cb 0.69 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.79 3k85 n LEU 151 CO 0.03 0.29 0.19 0.61 -1.33 0.00 0.00 177.39 177.18 3k85 n GLY 152 N 1.41 -0.51 3.69 -0.72 0.00 0.66 -4.98 105.19 104.74 3k85 n GLY 152 Ca 0.09 0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 3k85 n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k85 s LEU 153 N -7.21 4.09 -0.04 0.99 1.43 -0.01 -4.97 118.68 112.96 3k85 s LEU 153 Ca 0.54 0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 3k85 s LEU 153 Cb -0.25 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 3k85 s LEU 153 CO 0.76 0.16 0.41 -0.94 0.23 0.00 0.00 176.35 176.97 3k85 s SER 154 N 0.47 6.75 -0.03 2.29 1.04 -1.26 -3.73 113.70 119.22 3k85 s SER 154 Ca 0.07 0.89 -0.11 0.00 0.48 0.00 0.00 55.95 57.29 3k85 s SER 154 Cb -0.12 -2.25 0.03 0.00 0.10 0.00 0.00 66.02 63.78 3k85 s SER 154 CO -0.01 0.24 0.47 0.61 0.98 0.00 0.00 173.24 175.54 3k85 n GLY 155 N 2.25 0.29 0.00 7.32 0.00 -1.26 -5.10 105.19 108.69 3k85 n GLY 155 Ca -0.12 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.34 0.96 0.00 -0.02 0.00 -1.26 -4.70 105.19 99.83 3k85 n GLY 156 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 3.36 0.16 1.61 5.02 -1.26 -4.84 118.16 122.22 3k85 n LYS 157 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 3k85 n LYS 157 Cb 0.00 -0.47 0.50 0.00 -0.02 0.00 0.00 35.03 35.04 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 0.17 -0.26 1.97 3.07 -1.97 -3.19 115.11 114.90 3k85 h GLN 158 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 58.65 58.65 3k85 h GLN 158 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.52 3k85 h GLN 158 CO 0.00 0.21 -0.08 -0.44 0.09 0.00 0.00 178.83 178.61 3k85 h ASP 159 N 0.17 0.53 -0.43 0.06 5.19 -1.96 -2.02 116.42 117.95 3k85 h ASP 159 Ca 0.04 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 3k85 h ASP 159 Cb 0.16 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 3k85 h ASP 159 CO 0.00 0.79 0.25 1.56 -3.12 0.00 0.00 179.24 178.72 3k85 h GLN 160 N 0.27 0.59 -0.39 3.56 7.50 -1.85 -2.55 115.11 122.23 3k85 h GLN 160 Ca 0.06 -0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 3k85 h GLN 160 Cb 0.57 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.96 3k85 h GLN 160 CO 0.03 0.46 0.08 1.88 -1.50 0.00 0.00 178.83 179.78 3k85 h TYR 161 N 0.57 0.67 -0.26 2.96 0.05 -1.58 -2.18 116.97 117.20 3k85 h TYR 161 Ca 0.15 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3k85 h TYR 161 Cb 0.03 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 3k85 h TYR 161 CO -0.03 0.65 0.17 0.00 -1.05 0.00 0.00 178.16 177.91 3k85 h ALA 162 N 0.93 0.33 -0.93 3.88 0.00 -1.32 0.29 119.26 122.45 3k85 h ALA 162 Ca 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3k85 h ALA 162 Cb 0.33 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3k85 h ALA 162 CO 0.00 -0.20 0.61 0.00 0.00 0.00 0.00 179.25 179.67 3k85 h ALA 163 N 1.09 1.35 -0.01 0.00 0.00 -1.38 0.24 119.26 120.56 3k85 h ALA 163 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3k85 h ALA 163 Cb -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3k85 h ALA 163 CO -0.02 0.59 -0.19 0.00 0.00 0.00 0.00 179.25 179.64 3k85 h ALA 164 N 1.43 0.03 0.10 0.00 0.00 -0.94 0.71 119.26 120.58 3k85 h ALA 164 Ca 0.35 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3k85 h ALA 164 Cb -0.12 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k85 h ALA 164 CO -0.08 0.04 -0.60 0.74 0.00 0.00 0.00 179.25 179.34 3k85 h PHE 165 N -0.55 0.42 -0.07 0.00 0.04 -0.32 -3.17 116.94 113.29 3k85 h PHE 165 Ca -0.02 -0.30 0.01 0.00 2.80 0.00 0.00 57.97 60.46 3k85 h PHE 165 Cb 0.93 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 3k85 h PHE 165 CO 0.18 1.22 -0.03 0.41 -0.60 0.00 0.00 178.31 179.49 3k85 n GLY 166 N 1.58 -2.68 7.00 -1.45 0.00 0.83 -3.44 105.19 107.04 3k85 n GLY 166 Ca -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.93 -1.19 3.63 -0.02 0.00 -1.08 -4.72 105.19 99.88 3k85 n GLY 167 Ca -0.00 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 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 3.31 0.02 1.61 0.08 -1.26 -2.03 117.98 119.71 3k85 s PHE 168 Ca 0.00 0.76 0.05 0.00 0.12 0.00 0.00 56.93 57.86 3k85 s PHE 168 Cb 0.00 -2.75 -0.02 0.00 -0.57 0.00 0.00 43.02 39.68 3k85 s PHE 168 CO 0.00 -0.24 -0.16 -0.80 -0.10 0.00 0.00 175.22 173.92 3k85 s ASN 169 N 1.39 1.93 0.32 1.36 0.02 -0.48 -1.17 114.94 118.33 3k85 s ASN 169 Ca 0.24 -0.42 0.09 0.00 -1.02 0.00 0.00 52.86 51.75 3k85 s ASN 169 Cb -0.16 -0.16 -0.05 0.00 0.02 0.00 0.00 41.25 40.90 3k85 s ASN 169 CO 0.09 0.12 0.05 -0.47 0.02 0.00 0.00 177.10 176.91 3k85 s TYR 170 N -0.68 2.62 -0.30 2.20 5.04 -0.74 -2.02 117.35 123.46 3k85 s TYR 170 Ca 0.05 -0.37 -0.14 0.00 -2.44 0.00 0.00 57.07 54.16 3k85 s TYR 170 Cb -0.08 -1.47 0.17 0.00 0.35 0.00 0.00 41.96 40.93 3k85 s TYR 170 CO 0.01 0.46 0.99 -1.21 -1.34 0.00 0.00 175.55 174.46 3k85 s GLU 172 N -3.75 0.28 -0.72 4.97 2.02 -0.36 -0.68 118.70 120.45 3k85 s GLU 172 Ca 0.35 0.67 -0.12 0.00 0.02 0.00 0.00 54.97 55.89 3k85 s GLU 172 Cb -0.02 0.40 0.19 0.00 0.10 0.00 0.00 34.13 34.79 3k85 s GLU 172 CO 0.20 -0.14 0.64 -0.06 0.02 0.00 0.00 175.26 175.93 3k85 s PHE 173 N 2.53 3.60 0.59 1.61 0.08 0.15 -1.23 117.98 125.31 3k85 s PHE 173 Ca -0.01 -2.01 -0.12 0.00 0.12 0.00 0.00 56.93 54.91 3k85 s PHE 173 Cb -0.07 -3.69 -0.05 0.00 -0.57 0.00 0.00 43.02 38.65 3k85 s PHE 173 CO -0.17 -0.97 1.01 -0.51 -0.10 0.00 0.00 175.22 174.48 3k85 s LEU 174 N 0.42 3.34 0.91 -0.37 1.43 -0.40 0.40 118.68 124.40 3k85 s LEU 174 Ca 0.15 1.44 -0.10 0.00 -1.03 0.00 0.00 54.13 54.58 3k85 s LEU 174 Cb -0.16 -4.46 0.14 0.00 0.03 0.00 0.00 46.19 41.75 3k85 s LEU 174 CO -0.06 -0.79 1.15 0.00 0.23 0.00 0.00 176.35 176.88 3k85 n GLN 175 N -2.45 -0.41 -3.22 1.70 3.00 -1.26 -2.66 117.38 112.09 3k85 n GLN 175 Ca 0.06 -0.05 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 3k85 n GLN 175 Cb 0.54 -2.38 0.06 0.00 0.00 0.00 0.00 30.24 28.46 3k85 n GLN 175 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3k85 n ASN 176 N -4.16 -4.09 -1.90 1.08 3.02 -1.26 -3.68 115.26 104.27 3k85 n ASN 176 Ca 0.12 -0.42 -0.02 0.00 -0.03 0.00 0.00 54.58 54.23 3k85 n ASN 176 Cb 0.52 -3.89 -0.00 0.00 -0.61 0.00 0.00 39.78 35.80 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 -2.12 -0.04 -4.89 6.41 3.85 -1.15 -4.90 116.55 113.71 3k85 n ASP 177 Ca -0.07 -0.05 -0.29 0.00 -0.71 0.00 0.00 54.79 53.66 3k85 n ASP 177 Cb 0.57 -0.07 -0.03 0.00 -1.35 0.00 0.00 41.12 40.25 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 -1.82 3.83 -0.06 -2.12 2.96 -1.09 -4.94 118.68 115.45 3k85 s LEU 178 Ca 0.02 1.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.94 3k85 s LEU 178 Cb -0.01 -3.91 0.04 0.00 0.50 0.00 0.00 46.19 42.80 3k85 s LEU 178 CO 0.04 -0.40 0.13 0.54 -1.32 0.00 0.00 176.35 175.35 3k85 s VAL 179 N -2.39 -0.09 -0.20 1.68 0.11 -1.26 -1.28 120.40 116.98 3k85 s VAL 179 Ca 0.49 0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 59.73 3k85 s VAL 179 Cb -0.10 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 3k85 s VAL 179 CO 0.33 0.09 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.53 3k85 s ILE 180 N 1.38 3.57 -0.31 7.04 -1.09 -0.37 -4.97 121.20 126.46 3k85 s ILE 180 Ca -0.07 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.81 3k85 s ILE 180 Cb -0.12 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 3k85 s ILE 180 CO -0.06 0.44 0.16 -0.69 -1.23 0.00 0.00 174.94 173.57 3k85 s VAL 181 N 1.10 4.73 -0.65 2.92 1.01 -1.26 -1.23 120.40 127.02 3k85 s VAL 181 Ca 0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 3k85 s VAL 181 Cb -0.15 -3.39 0.15 0.00 0.00 0.00 0.00 36.38 33.00 3k85 s VAL 181 CO 0.00 0.09 0.64 0.20 0.00 0.00 0.00 175.10 176.03 3k85 s ASN 182 N 1.64 6.39 -0.37 3.32 0.01 0.14 -4.96 114.94 121.11 3k85 s ASN 182 Ca 0.05 -2.03 -0.28 0.00 -0.71 0.00 0.00 52.86 49.89 3k85 s ASN 182 Cb -0.17 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 3k85 s ASN 182 CO 0.07 -0.81 1.90 -2.84 -1.51 0.00 0.00 177.10 173.90 3k85 s PRO 183 N 1.34 3.13 0.01 -0.60 0.02 -1.26 -1.80 135.00 135.84 3k85 s PRO 183 Ca 0.10 1.39 -0.19 0.00 0.02 0.00 0.00 61.00 62.32 3k85 s PRO 183 Cb -0.22 -4.27 -0.06 0.00 0.02 0.00 0.00 34.50 29.97 3k85 s PRO 183 CO -0.01 -2.10 0.54 -0.51 -0.33 0.00 0.00 177.00 174.59 3k85 s LEU 184 N 7.71 4.45 0.00 -5.54 1.43 -0.31 -5.02 118.68 121.39 3k85 s LEU 184 Ca 0.82 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 3k85 s LEU 184 Cb -0.22 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.17 3k85 s LEU 184 CO 0.31 0.18 0.00 0.29 0.23 0.00 0.00 176.35 177.37 3k85 n LYS 185 N 2.37 1.53 -5.02 1.70 5.02 -1.26 -4.32 118.16 118.19 3k85 n LYS 185 Ca -0.09 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.88 3k85 n LYS 185 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.38 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 0.23 2.62 0.30 1.97 1.02 -1.26 -5.10 119.74 119.52 3k85 s LYS 187 Ca 0.00 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.27 3k85 s LYS 187 Cb 0.00 -2.33 0.71 0.00 -0.52 0.00 0.00 37.83 35.69 3k85 s LYS 187 CO 0.00 0.48 1.79 -0.09 -0.92 0.00 0.00 175.35 176.61 3k85 h ARG 188 N 5.78 0.78 -0.49 1.68 2.43 -2.05 -1.62 114.38 120.88 3k85 h ARG 188 Ca -0.39 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.68 3k85 h ARG 188 Cb 1.16 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 3k85 h ARG 188 CO 0.50 0.52 0.08 0.11 -1.51 0.00 0.00 179.97 179.67 3k85 h TRP 189 N 0.81 0.80 -0.42 2.20 5.08 -2.05 -0.48 115.95 121.88 3k85 h TRP 189 Ca 0.57 -0.08 -0.09 0.00 1.08 0.00 0.00 58.89 60.37 3k85 h TRP 189 Cb 0.83 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 26.75 3k85 h TRP 189 CO -0.00 0.69 -0.10 0.82 -1.28 0.00 0.00 178.44 178.57 3k85 h ILE 190 N 0.74 1.27 -0.27 0.12 2.04 -1.71 0.17 117.51 119.87 3k85 h ILE 190 Ca 0.16 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 3k85 h ILE 190 Cb 0.33 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3k85 h ILE 190 CO 0.00 0.40 0.14 0.58 0.00 0.00 0.00 178.15 179.27 3k85 h VAL 191 N 0.63 1.14 -0.49 1.67 2.07 -1.14 0.32 116.25 120.44 3k85 h VAL 191 Ca 0.11 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3k85 h VAL 191 Cb 0.63 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3k85 h VAL 191 CO 0.04 0.14 0.15 0.44 0.02 0.00 0.00 177.57 178.36 3k85 h ASP 192 N 0.31 0.72 -0.60 0.57 3.32 -0.98 -1.93 116.42 117.84 3k85 h ASP 192 Ca 0.09 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3k85 h ASP 192 Cb 0.10 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3k85 h ASP 192 CO -0.01 0.74 0.26 -0.08 -1.72 0.00 0.00 179.24 178.43 3k85 h GLU 193 N 0.67 0.88 -0.46 3.56 4.57 -0.52 -1.61 114.58 121.67 3k85 h GLU 193 Ca 0.16 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3k85 h GLU 193 Cb 0.28 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3k85 h GLU 193 CO -0.00 0.73 0.15 1.25 -1.18 0.00 0.00 179.01 179.96 3k85 h LEU 194 N 0.82 0.66 -0.84 1.64 5.85 -0.79 -1.68 115.31 120.97 3k85 h LEU 194 Ca 0.20 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 3k85 h LEU 194 Cb 0.17 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3k85 h LEU 194 CO -0.02 0.68 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.13 3k85 h GLU 195 N 0.60 0.52 0.00 1.25 5.08 -1.22 -1.57 114.58 119.24 3k85 h GLU 195 Ca 0.15 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3k85 h GLU 195 Cb 0.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3k85 h GLU 195 CO -0.01 0.76 0.00 0.66 -1.00 0.00 0.00 179.01 179.43 3k85 h SER 196 N 0.45 0.00 -2.03 1.42 4.64 -1.12 -3.44 113.55 113.47 3k85 h SER 196 Ca 0.06 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.60 3k85 h SER 196 Cb 0.74 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.57 3k85 h SER 196 CO 0.06 0.00 1.07 -1.20 -0.87 0.00 0.00 176.83 175.89 3k85 n SER 197 N -2.60 7.44 0.00 4.97 7.64 -0.59 -4.16 113.62 126.31 3k85 n SER 197 Ca 0.02 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.17 3k85 n SER 197 Cb 0.30 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 3k85 n SER 197 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3k85 n VAL 199 N -0.21 0.00 -3.52 0.44 0.31 -0.88 -0.85 118.33 113.62 3k85 n VAL 199 Ca 0.51 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.43 3k85 n VAL 199 Cb 0.26 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.08 3k85 n VAL 199 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3k85 s LEU 200 N 0.00 4.63 -0.19 7.52 1.43 -1.26 -1.36 118.68 129.45 3k85 s LEU 200 Ca 0.00 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3k85 s LEU 200 Cb 0.00 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3k85 s LEU 200 CO 0.00 -0.28 -0.15 -0.47 0.23 0.00 0.00 176.35 175.68 3k85 s TYR 201 N 1.71 2.84 -0.22 0.29 5.04 -0.52 -4.25 117.35 122.24 3k85 s TYR 201 Ca 0.06 -1.42 -0.13 0.00 -2.44 0.00 0.00 57.07 53.14 3k85 s TYR 201 Cb -0.18 -1.98 -0.05 0.00 0.35 0.00 0.00 41.96 40.11 3k85 s TYR 201 CO 0.10 -0.72 0.27 -0.06 -1.34 0.00 0.00 175.55 173.80 3k85 s PHE 202 N 1.34 3.35 0.00 4.97 0.40 -0.46 -0.43 117.98 127.16 3k85 s PHE 202 Ca 0.05 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.80 3k85 s PHE 202 Cb -0.13 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.02 3k85 s PHE 202 CO -0.10 0.05 0.00 2.41 0.70 0.00 0.00 175.22 178.28 3k85 n THR 203 N 4.24 0.00 -1.31 0.64 -1.04 -1.22 -1.39 114.28 114.19 3k85 n THR 203 Ca -0.12 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3k85 n THR 203 Cb 0.52 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 3k85 n THR 203 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3k85 n GLN 225 N 0.00 0.00 0.00 -2.82 7.27 -1.26 -4.74 117.38 115.83 3k85 n GLN 225 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.08 3k85 n GLN 225 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3k85 n GLN 225 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 3k85 n THR 226 N 0.00 0.00 0.00 1.69 5.66 -1.26 -4.64 114.28 115.73 3k85 n THR 226 Ca 0.00 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 3k85 n THR 226 Cb 0.00 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.82 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 -0.20 -0.18 0.00 1.79 0.00 -1.26 -3.16 120.51 117.49 3k85 n ALA 227 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3k85 n ALA 227 Cb 0.05 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.23 0.00 -0.33 0.00 5.41 -1.26 0.46 119.36 122.41 3k85 n ILE 228 Ca 0.00 0.00 0.31 0.00 1.00 0.00 0.00 62.75 64.06 3k85 n ILE 228 Cb 0.00 0.00 0.58 0.00 -0.71 0.00 0.00 39.64 39.51 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 0.06 -1.25 0.38 4.39 -1.83 0.35 114.58 116.68 3k85 h GLU 229 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3k85 h GLU 229 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3k85 h GLU 229 CO 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 179.01 177.89 3k85 n ALA 230 N -2.28 2.17 0.00 3.43 0.00 1.65 -3.26 120.51 122.22 3k85 n ALA 230 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3k85 n ALA 230 Cb 1.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 0.61 0.00 -0.13 0.00 -0.00 0.12 -1.54 115.22 114.28 3k85 n HIS 232 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3k85 n HIS 232 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.30 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 0.68 -0.37 -0.41 1.57 -1.80 -0.09 116.57 116.15 3k85 h LYS 233 Ca 0.00 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3k85 h LYS 233 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3k85 h LYS 233 CO 0.00 0.78 0.23 0.82 -0.57 0.00 0.00 179.45 180.71 3k85 h ILE 234 N 0.51 1.07 -0.52 1.86 2.04 -1.61 0.38 117.51 121.24 3k85 h ILE 234 Ca 0.11 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3k85 h ILE 234 Cb 0.48 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3k85 h ILE 234 CO 0.02 0.09 0.32 0.50 0.00 0.00 0.00 178.15 179.08 3k85 h LYS 235 N 0.47 0.62 0.00 2.37 3.64 -1.79 -0.46 116.57 121.42 3k85 h LYS 235 Ca 0.14 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3k85 h LYS 235 Cb -0.03 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3k85 h LYS 235 CO -0.05 0.41 -0.07 0.37 -2.27 0.00 0.00 179.45 177.84 3k85 h GLN 236 N 0.64 0.00 0.00 1.90 5.75 -0.36 -1.66 115.11 121.38 3k85 h GLN 236 Ca 0.21 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.61 3k85 h GLN 236 Cb 0.01 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3k85 h GLN 236 CO -0.09 0.07 -0.48 0.66 -2.65 0.00 0.00 178.83 176.35 3k85 h SER 237 N 0.00 0.00 -0.93 -0.69 4.64 0.79 -2.30 113.55 115.06 3k85 h SER 237 Ca -0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.35 3k85 h SER 237 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3k85 h SER 237 CO 0.01 0.48 0.61 0.00 -0.87 0.00 0.00 176.83 177.06 3k85 h ALA 238 N 1.52 1.40 0.12 5.18 0.00 -1.14 0.17 119.26 126.52 3k85 h ALA 238 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k85 h ALA 238 Cb 0.84 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3k85 h ALA 238 CO 0.06 0.51 -0.06 0.82 0.00 0.00 0.00 179.25 180.58 3k85 h ILE 239 N 1.17 1.03 -0.22 0.00 2.04 -1.49 -1.98 117.51 118.07 3k85 h ILE 239 Ca 0.37 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 3k85 h ILE 239 Cb 0.01 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3k85 h ILE 239 CO -0.11 0.16 -0.13 0.44 0.00 0.00 0.00 178.15 178.51 3k85 h ASP 240 N -0.49 0.34 -0.33 1.72 3.32 -1.17 -2.54 116.42 117.26 3k85 h ASP 240 Ca -0.02 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 56.80 3k85 h ASP 240 Cb 0.40 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3k85 h ASP 240 CO 0.03 0.50 -0.40 0.74 -1.72 0.00 0.00 179.24 178.39 3k85 h THR 241 N 0.33 1.27 0.54 0.35 2.02 -0.65 -1.06 112.91 115.72 3k85 h THR 241 Ca 0.06 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 3k85 h THR 241 Cb 0.44 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3k85 h THR 241 CO 0.03 0.52 -0.31 0.50 0.37 0.00 0.00 175.52 176.63 3k85 h LYS 242 N 0.72 -0.77 -0.68 6.66 3.64 -1.00 -0.48 116.57 124.66 3k85 h LYS 242 Ca 0.06 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3k85 h LYS 242 Cb 0.99 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 3k85 h LYS 242 CO 0.10 -0.51 0.34 1.25 -2.27 0.00 0.00 179.45 178.36 3k85 h LEU 243 N -0.80 0.46 -0.22 5.20 5.85 -1.48 -0.25 115.31 124.07 3k85 h LEU 243 Ca -0.07 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3k85 h LEU 243 Cb 0.64 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3k85 h LEU 243 CO 0.08 0.27 0.12 0.00 -0.34 0.00 0.00 178.44 178.58 3k85 h ALA 244 N 1.40 0.29 -0.00 1.25 0.00 -0.88 -3.01 119.26 118.31 3k85 h ALA 244 Ca 0.33 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 3k85 h ALA 244 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3k85 h ALA 244 CO -0.25 -0.18 -0.77 -0.07 0.00 0.00 0.00 179.25 177.98 3k85 h LEU 245 N 0.25 0.03 -1.77 0.00 3.38 -0.78 0.82 115.31 117.25 3k85 h LEU 245 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3k85 h LEU 245 Cb 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3k85 h LEU 245 CO -0.01 0.79 -0.11 -0.07 0.09 0.00 0.00 178.44 179.12 3k85 h LEU 246 N 0.01 0.00 -1.37 1.67 3.38 -1.02 0.57 115.31 118.56 3k85 h LEU 246 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k85 h LEU 246 Cb 1.36 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3k85 h LEU 246 CO 0.10 0.12 0.00 0.29 0.09 0.00 0.00 178.44 179.04 3k85 n LYS 247 N -4.40 1.93 -1.55 1.13 5.02 -1.14 -4.93 118.16 114.22 3k85 n LYS 247 Ca -0.03 -1.37 -0.13 0.00 -2.02 0.00 0.00 58.31 54.77 3k85 n LYS 247 Cb 0.19 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.25 1.09 3.52 0.72 0.00 0.19 -4.93 105.19 107.03 3k85 n GLY 248 Ca 0.17 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.78 6.90 0.49 1.61 -1.08 0.26 -4.79 116.67 117.28 3k85 s ASP 249 Ca 0.00 -2.58 0.22 0.00 -0.52 0.00 0.00 52.55 49.67 3k85 s ASP 249 Cb 0.00 -2.49 1.27 0.00 -1.46 0.00 0.00 42.92 40.24 3k85 s ASP 249 CO 0.00 -1.00 2.04 0.58 0.52 0.00 0.00 175.17 177.31 3k85 h VAL 250 N 5.29 0.82 -0.46 1.11 2.07 -1.92 -2.68 116.25 120.48 3k85 h VAL 250 Ca 0.35 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3k85 h VAL 250 Cb 0.89 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3k85 h VAL 250 CO 1.34 0.15 0.19 1.23 0.02 0.00 0.00 177.57 180.49 3k85 h GLY 251 N 0.68 0.74 1.23 2.17 0.00 -1.96 0.66 103.07 106.60 3k85 h GLY 251 Ca -0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 3k85 h GLY 251 CO 0.02 0.38 -0.13 -2.09 0.00 0.00 0.00 176.54 174.72 3k85 h GLU 252 N 0.61 0.91 -0.19 4.80 4.57 -1.88 -1.37 114.58 122.02 3k85 h GLU 252 Ca 0.15 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 58.04 3k85 h GLU 252 Cb 0.19 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 3k85 h GLU 252 CO -0.01 0.98 -0.05 0.35 -1.18 0.00 0.00 179.01 179.10 3k85 h PHE 253 N 0.81 -0.10 -0.46 0.92 3.57 -1.12 -0.10 116.94 120.45 3k85 h PHE 253 Ca 0.13 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.72 3k85 h PHE 253 Cb 0.66 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 3k85 h PHE 253 CO 0.04 -0.08 0.09 0.00 -2.23 0.00 0.00 178.31 176.13 3k85 h ALA 254 N 1.19 0.51 -0.37 2.41 0.00 -0.57 -1.44 119.26 121.00 3k85 h ALA 254 Ca 0.09 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3k85 h ALA 254 Cb 0.14 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3k85 h ALA 254 CO -0.20 -0.31 0.11 -0.09 0.00 0.00 0.00 179.25 178.76 3k85 h ARG 255 N 0.22 0.24 -0.72 0.00 2.43 -0.39 -1.77 114.38 114.40 3k85 h ARG 255 Ca 0.23 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3k85 h ARG 255 Cb 0.29 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3k85 h ARG 255 CO -0.30 0.16 0.47 0.82 -1.51 0.00 0.00 179.97 179.61 3k85 h ILE 256 N 0.25 1.13 -0.45 1.20 2.04 -0.29 -1.10 117.51 120.29 3k85 h ILE 256 Ca 0.17 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 3k85 h ILE 256 Cb 0.17 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3k85 h ILE 256 CO -0.19 0.16 -0.19 -0.07 0.00 0.00 0.00 178.15 177.86 3k85 h LEU 257 N 0.90 0.94 0.42 1.44 3.38 -0.63 -2.37 115.31 119.40 3k85 h LEU 257 Ca 0.28 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3k85 h LEU 257 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3k85 h LEU 257 CO -0.07 1.12 -0.20 1.23 0.09 0.00 0.00 178.44 180.61 3k85 h GLY 258 N 0.76 -0.59 0.06 0.83 0.00 -0.79 -0.03 103.07 103.31 3k85 h GLY 258 Ca 0.10 0.22 0.24 0.00 0.00 0.00 0.00 47.33 47.89 3k85 h GLY 258 CO 0.06 -0.22 0.64 -2.09 0.00 0.00 0.00 176.54 174.94 3k85 h GLU 259 N -0.79 0.40 -0.09 4.80 4.81 -1.27 0.79 114.58 123.24 3k85 h GLU 259 Ca -0.06 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 3k85 h GLU 259 Cb 0.54 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3k85 h GLU 259 CO 0.10 0.27 -0.20 0.78 -0.73 0.00 0.00 179.01 179.22 3k85 h GLY 260 N 0.42 0.32 0.59 1.92 0.00 -1.13 -2.27 103.07 102.92 3k85 h GLY 260 Ca 0.54 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.53 3k85 h GLY 260 CO -0.24 0.35 0.01 -0.25 0.00 0.00 0.00 176.54 176.40 3k85 h TRP 261 N -0.17 0.00 -0.96 5.60 -0.00 0.95 0.20 115.95 121.56 3k85 h TRP 261 Ca 0.00 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 58.99 3k85 h TRP 261 Cb 0.79 0.04 -0.07 0.00 -0.00 0.00 0.00 29.16 29.92 3k85 h TRP 261 CO 0.11 -0.03 0.62 1.49 -0.00 0.00 0.00 178.44 180.63 3k85 h GLU 262 N 0.09 1.02 0.00 2.65 4.57 -0.97 -1.92 114.58 120.02 3k85 h GLU 262 Ca 0.13 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 3k85 h GLU 262 Cb 0.17 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 3k85 h GLU 262 CO -0.21 0.67 -0.38 -0.91 -1.18 0.00 0.00 179.01 177.00 3k85 h ASN 263 N 1.05 0.00 -0.70 1.04 4.21 -0.49 -3.16 115.58 117.52 3k85 h ASN 263 Ca 0.44 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.57 3k85 h ASN 263 Cb 0.30 0.00 -0.21 0.00 -1.12 0.00 0.00 38.32 37.28 3k85 h ASN 263 CO -0.19 0.38 0.48 1.17 -1.29 0.00 0.00 177.43 177.99 3k85 n LYS 264 N -3.39 1.92 0.00 0.81 4.81 0.53 -3.85 118.16 118.99 3k85 n LYS 264 Ca 0.01 -2.13 0.00 0.00 -0.87 0.00 0.00 58.31 55.31 3k85 n LYS 264 Cb 0.57 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.78 3k85 n LYS 264 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3k85 n LYS 265 N -0.59 4.28 -2.23 1.64 5.02 -1.19 -5.02 118.16 120.06 3k85 n LYS 265 Ca 0.42 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.56 3k85 n LYS 265 Cb 1.22 -0.59 0.04 0.00 -0.02 0.00 0.00 35.03 35.67 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 -0.35 2.89 0.00 1.97 2.85 -1.24 -5.14 118.16 119.14 3k85 n LYS 266 Ca 0.00 -3.90 0.00 0.00 -1.05 0.00 0.00 58.31 53.36 3k85 n LYS 266 Cb 0.01 -2.01 0.00 0.00 -0.65 0.00 0.00 35.03 32.38 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 -0.67 0.00 0.00 -1.58 -0.00 -1.26 -4.98 120.64 112.15 3k85 n GLU 278 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.47 3k85 n GLU 278 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.35 3k85 n GLU 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3k85 n ALA 279 N 0.00 0.00 -3.81 -1.84 0.00 -1.26 -4.55 120.51 109.05 3k85 n ALA 279 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3k85 n ALA 279 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3k85 n ALA 279 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k85 s PHE 280 N -0.45 3.58 -0.25 0.00 0.08 -1.26 -4.81 117.98 114.88 3k85 s PHE 280 Ca 0.00 -3.15 0.13 0.00 0.12 0.00 0.00 56.93 54.03 3k85 s PHE 280 Cb 0.00 -2.94 0.68 0.00 -0.57 0.00 0.00 43.02 40.19 3k85 s PHE 280 CO 0.00 -0.67 1.64 -0.40 -0.10 0.00 0.00 175.22 175.69 3k85 n ASP 281 N 2.44 4.60 0.12 1.36 5.75 -1.26 -3.99 116.55 125.57 3k85 n ASP 281 Ca 0.16 -3.12 0.13 0.00 -0.01 0.00 0.00 54.79 51.95 3k85 n ASP 281 Cb 0.35 -0.65 0.40 0.00 -1.03 0.00 0.00 41.12 40.19 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 2.63 0.00 0.16 2.12 3.04 -1.95 -1.86 116.25 120.39 3k85 h VAL 282 Ca 0.10 -0.50 -0.24 0.00 -1.01 0.00 0.00 66.70 65.05 3k85 h VAL 282 Cb 1.89 1.48 0.02 0.00 -2.01 0.00 0.00 31.29 32.67 3k85 h VAL 282 CO 0.47 0.00 -1.07 0.00 -1.01 0.00 0.00 177.57 175.96 3k85 h ALA 283 N 2.45 -0.06 0.00 3.17 0.00 -1.93 -3.08 119.26 119.81 3k85 h ALA 283 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3k85 h ALA 283 Cb 0.73 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3k85 h ALA 283 CO 0.00 0.53 0.00 1.15 0.00 0.00 0.00 179.25 180.93 3k85 h THR 284 N -0.24 0.00 0.37 0.00 2.02 -1.76 -2.94 112.91 110.37 3k85 h THR 284 Ca -0.20 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 3k85 h THR 284 Cb 1.79 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 3k85 h THR 284 CO 0.17 0.00 -0.29 1.23 0.37 0.00 0.00 175.52 177.00 3k85 h GLY 285 N 1.53 -0.97 -7.46 2.16 0.00 -1.25 -3.01 103.07 94.07 3k85 h GLY 285 Ca 0.00 0.42 -0.75 0.00 0.00 0.00 0.00 47.33 47.00 3k85 h GLY 285 CO 0.00 -0.32 1.37 0.00 0.00 0.00 0.00 176.54 177.59 3k85 n ALA 286 N -2.52 4.21 -2.66 3.60 0.00 -1.11 -4.95 120.51 117.07 3k85 n ALA 286 Ca -0.08 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.05 3k85 n ALA 286 Cb 0.28 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.77 3k85 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k85 n GLY 287 N 3.64 5.06 0.59 0.00 0.00 -1.14 -4.71 105.19 108.64 3k85 n GLY 287 Ca 0.36 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.00 2.49 -1.33 4.61 0.00 -1.26 -4.90 120.51 117.12 3k85 n ALA 288 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3k85 n ALA 288 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.00 1.04 0.15 0.00 0.00 -1.11 -5.01 121.76 114.82 3k85 s ALA 290 Ca 0.00 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 3k85 s ALA 290 Cb 0.00 -2.82 0.07 0.00 0.00 0.00 0.00 23.12 20.37 3k85 s ALA 290 CO 0.00 -3.36 0.59 0.20 0.00 0.00 0.00 175.76 173.19 3k85 s GLY 291 N -4.25 -0.60 -0.04 0.00 0.00 -1.26 -2.08 107.32 99.09 3k85 s GLY 291 Ca 0.73 0.50 -0.02 0.00 0.00 0.00 0.00 44.72 45.93 3k85 s GLY 291 CO 0.55 0.17 0.09 1.25 0.00 0.00 0.00 173.10 175.16 3k85 s LYS 292 N -3.61 0.05 -0.15 2.90 2.20 -1.26 -4.55 119.74 115.33 3k85 s LYS 292 Ca 0.00 0.22 -0.10 0.00 -0.36 0.00 0.00 55.97 55.73 3k85 s LYS 292 Cb -0.01 -0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.15 3k85 s LYS 292 CO -0.12 -0.11 0.19 0.08 -0.36 0.00 0.00 175.35 175.04 3k85 s VAL 293 N 0.71 5.39 0.43 4.02 1.01 -1.26 -4.34 120.40 126.35 3k85 s VAL 293 Ca -0.06 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.31 3k85 s VAL 293 Cb -0.08 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 3k85 s VAL 293 CO -0.03 0.51 0.01 -0.55 0.00 0.00 0.00 175.10 175.04 3k85 s SER 294 N -0.24 3.94 0.81 3.32 0.15 -0.31 -5.02 113.70 116.34 3k85 s SER 294 Ca 0.14 -1.42 -0.14 0.00 0.70 0.00 0.00 55.95 55.22 3k85 s SER 294 Cb -0.12 -0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.02 3k85 s SER 294 CO 0.03 -0.53 0.98 0.61 1.20 0.00 0.00 173.24 175.53 3k85 n GLY 295 N -1.03 -0.53 4.04 9.45 0.00 -1.26 -3.77 105.19 112.09 3k85 n GLY 295 Ca -0.08 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.15 -2.65 -2.38 4.61 0.00 -1.26 -3.04 120.51 112.65 3k85 n ALA 296 Ca 0.12 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 3k85 n ALA 296 Cb 0.51 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 -2.03 -0.11 3.37 0.00 0.00 -1.25 -3.90 105.19 101.26 3k85 n GLY 300 Ca -0.14 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.57 3k85 n GLY 300 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k85 s PHE 301 N -2.71 -0.61 0.00 1.61 5.36 -1.26 -3.45 117.98 116.92 3k85 s PHE 301 Ca 0.05 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 3k85 s PHE 301 Cb -0.02 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 3k85 s PHE 301 CO 0.07 -0.30 0.00 -0.89 -1.46 0.00 0.00 175.22 172.63 3k85 n ILE 302 N 4.95 0.00 -3.62 3.12 -0.00 0.43 -1.16 119.36 123.08 3k85 n ILE 302 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 62.75 62.60 3k85 n ILE 302 Cb 0.53 -0.10 -0.06 0.00 -0.00 0.00 0.00 39.64 40.01 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 1.54 -0.25 -0.27 1.39 0.08 -0.46 -1.44 117.98 118.56 3k85 s PHE 304 Ca 0.00 0.53 -0.02 0.00 0.12 0.00 0.00 56.93 57.56 3k85 s PHE 304 Cb 0.00 0.45 0.03 0.00 -0.57 0.00 0.00 43.02 42.93 3k85 s PHE 304 CO 0.00 -0.18 -0.04 0.08 -0.10 0.00 0.00 175.22 174.99 3k85 s VAL 305 N -0.51 2.92 0.36 -0.44 1.01 -0.88 -2.06 120.40 120.80 3k85 s VAL 305 Ca 0.04 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 60.93 3k85 s VAL 305 Cb -0.03 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 3k85 s VAL 305 CO -0.06 0.08 -0.02 0.54 0.00 0.00 0.00 175.10 175.64 3k85 s VAL 306 N 1.30 1.91 0.00 2.92 0.11 -0.03 -2.76 120.40 123.85 3k85 s VAL 306 Ca -0.02 -2.08 -0.30 0.00 -2.93 0.00 0.00 61.98 56.65 3k85 s VAL 306 Cb -0.18 -2.79 -0.05 0.00 -1.53 0.00 0.00 36.38 31.83 3k85 s VAL 306 CO -0.03 -0.10 1.25 -1.61 -3.33 0.00 0.00 175.10 171.28 3k85 s GLU 307 N -3.71 4.36 0.28 1.54 2.02 -1.26 -4.46 118.70 117.47 3k85 s GLU 307 Ca 0.34 1.79 0.01 0.00 0.02 0.00 0.00 54.97 57.12 3k85 s GLU 307 Cb 0.07 -3.48 0.65 0.00 0.10 0.00 0.00 34.13 31.46 3k85 s GLU 307 CO 0.16 -0.41 1.68 -1.35 0.02 0.00 0.00 175.26 175.36 3k85 h PRO 308 N 7.30 0.31 0.00 0.39 0.11 -1.92 0.24 132.00 138.43 3k85 h PRO 308 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3k85 h PRO 308 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3k85 h PRO 308 CO 0.86 0.21 0.00 0.25 -0.21 0.00 0.00 178.00 179.11 3k85 n THR 309 N -5.12 0.47 0.06 -1.15 -2.24 -1.26 -2.27 114.28 102.76 3k85 n THR 309 Ca 0.20 0.12 0.01 0.00 -2.27 0.00 0.00 64.05 62.10 3k85 n THR 309 Cb 0.60 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.27 2.46 -0.24 -0.78 1.74 0.64 -4.73 116.66 114.47 3k85 n ARG 310 Ca 0.08 -0.33 0.05 0.00 -0.77 0.00 0.00 57.85 56.88 3k85 n ARG 310 Cb 0.13 -0.82 0.17 0.00 -1.02 0.00 0.00 32.46 30.92 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 0.15 0.32 -0.83 5.56 3.64 -0.52 -0.13 116.57 124.76 3k85 h LYS 311 Ca 0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3k85 h LYS 311 Cb 0.05 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3k85 h LYS 311 CO 0.00 0.21 0.38 1.49 -2.27 0.00 0.00 179.45 179.26 3k85 h GLU 312 N 0.33 1.22 -0.27 1.90 4.57 -1.85 -1.42 114.58 119.06 3k85 h GLU 312 Ca 0.40 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.42 3k85 h GLU 312 Cb 0.64 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 3k85 h GLU 312 CO -0.45 0.95 0.08 1.49 -1.18 0.00 0.00 179.01 179.90 3k85 h GLU 313 N 1.20 0.19 -0.76 1.92 4.57 -1.38 -2.10 114.58 118.23 3k85 h GLU 313 Ca 0.28 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 3k85 h GLU 313 Cb 0.15 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 3k85 h GLU 313 CO -0.03 0.13 0.49 0.28 -1.18 0.00 0.00 179.01 178.70 3k85 h VAL 314 N 0.19 1.15 -0.34 0.32 2.07 -0.89 -2.22 116.25 116.54 3k85 h VAL 314 Ca 0.12 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3k85 h VAL 314 Cb 0.10 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 3k85 h VAL 314 CO -0.14 0.18 0.00 0.58 0.02 0.00 0.00 177.57 178.22 3k85 h VAL 315 N 0.98 1.20 -0.07 2.57 2.07 -0.77 -1.39 116.25 120.84 3k85 h VAL 315 Ca 0.29 -0.77 -0.24 0.00 0.82 0.00 0.00 66.70 66.79 3k85 h VAL 315 Cb -0.06 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3k85 h VAL 315 CO -0.08 0.27 -0.90 0.03 0.02 0.00 0.00 177.57 176.90 3k85 h ARG 316 N 0.51 0.72 0.02 1.57 3.08 -1.07 -1.77 114.38 117.43 3k85 h ARG 316 Ca 0.11 -0.67 -0.00 0.00 0.07 0.00 0.00 59.98 59.49 3k85 h ARG 316 Cb 0.32 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3k85 h ARG 316 CO 0.01 1.27 -0.01 0.00 -1.07 0.00 0.00 179.97 180.17 3k85 h ALA 317 N 0.52 -0.03 -0.46 0.04 0.00 -1.25 -2.77 119.26 115.31 3k85 h ALA 317 Ca -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3k85 h ALA 317 Cb 1.54 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3k85 h ALA 317 CO 0.18 -0.40 0.29 -0.07 0.00 0.00 0.00 179.25 179.25 3k85 h LEU 318 N -0.27 0.54 -0.85 0.00 3.38 -1.31 -1.66 115.31 115.14 3k85 h LEU 318 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k85 h LEU 318 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3k85 h LEU 318 CO 0.00 0.41 0.00 0.78 0.09 0.00 0.00 178.44 179.72 3k85 h ASN 319 N 0.63 0.00 1.61 -0.43 4.21 -1.10 -2.14 115.58 118.37 3k85 h ASN 319 Ca 0.17 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.60 3k85 h ASN 319 Cb -0.04 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 3k85 h ASN 319 CO -0.03 0.00 -0.35 0.78 -1.29 0.00 0.00 177.43 176.54 3k85 h ASN 320 N 0.00 0.00 -2.66 5.81 2.35 -1.03 -3.46 115.58 116.59 3k85 h ASN 320 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 3k85 h ASN 320 Cb 0.36 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.82 3k85 h ASN 320 CO 0.00 0.35 0.14 0.18 -1.65 0.00 0.00 177.43 176.44 3k85 n LEU 321 N -3.20 0.00 0.20 1.61 4.32 -0.80 -4.97 117.00 114.16 3k85 n LEU 321 Ca 0.02 -0.64 0.13 0.00 -0.02 0.00 0.00 56.01 55.51 3k85 n LEU 321 Cb 0.66 -0.48 0.37 0.00 -1.62 0.00 0.00 43.42 42.34 3k85 n LEU 321 CO 0.38 -1.22 0.87 -1.13 -1.22 0.00 0.00 177.39 175.07 3k85 h ASN 322 N -1.28 0.00 -2.86 -1.43 -1.24 -1.88 -3.46 115.58 103.43 3k85 h ASN 322 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.81 3k85 h ASN 322 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 3k85 h ASN 322 CO 0.14 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.89 3k85 n GLY 323 N 0.80 0.81 3.14 1.57 0.00 -1.26 -5.02 105.19 105.22 3k85 n GLY 323 Ca 0.03 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 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 0.45 0.04 0.00 1.61 -0.12 -0.48 -4.76 117.98 114.71 3k85 s PHE 324 Ca 0.00 -0.16 0.00 0.00 -0.05 0.00 0.00 56.93 56.72 3k85 s PHE 324 Cb 0.00 -0.04 0.00 0.00 -0.63 0.00 0.00 43.02 42.35 3k85 s PHE 324 CO 0.00 -0.34 0.00 0.28 -0.05 0.00 0.00 175.22 175.11 3k85 n VAL 325 N 1.16 0.00 -3.79 -2.49 0.31 -1.26 -1.36 118.33 110.90 3k85 n VAL 325 Ca -0.21 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 3k85 n VAL 325 Cb 0.57 -0.86 -0.11 0.00 -0.91 0.00 0.00 33.84 32.52 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 0.65 0.31 0.33 5.55 0.04 -1.26 -4.96 135.00 135.66 3k85 s PRO 327 Ca 0.00 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.19 3k85 s PRO 327 Cb 0.00 0.15 0.03 0.00 0.04 0.00 0.00 34.50 34.72 3k85 s PRO 327 CO 0.00 -0.04 0.72 -0.59 0.04 0.00 0.00 177.00 177.13 3k85 s PHE 328 N 0.06 0.06 0.01 0.56 -0.12 -1.26 -5.04 117.98 112.25 3k85 s PHE 328 Ca -0.01 -0.60 -0.11 0.00 -0.05 0.00 0.00 56.93 56.16 3k85 s PHE 328 Cb -0.02 0.69 0.01 0.00 -0.63 0.00 0.00 43.02 43.07 3k85 s PHE 328 CO 0.00 -1.37 0.23 -0.65 -0.05 0.00 0.00 175.22 173.38 3k85 s GLN 329 N -3.14 0.64 0.46 1.99 -1.52 -1.26 -5.02 119.66 111.81 3k85 s GLN 329 Ca 0.15 -0.41 -0.22 0.00 -1.95 0.00 0.00 55.36 52.93 3k85 s GLN 329 Cb -0.05 0.27 -0.08 0.00 -0.22 0.00 0.00 33.01 32.93 3k85 s GLN 329 CO 0.10 -0.18 1.07 -0.06 -0.25 0.00 0.00 175.29 175.98 3k85 s PHE 330 N -1.82 3.02 -0.07 0.91 0.08 -1.26 -0.99 117.98 117.86 3k85 s PHE 330 Ca -0.11 1.59 0.03 0.00 0.12 0.00 0.00 56.93 58.56 3k85 s PHE 330 Cb -0.04 -3.16 0.01 0.00 -0.57 0.00 0.00 43.02 39.25 3k85 s PHE 330 CO 0.00 -0.96 -0.16 -1.50 -0.10 0.00 0.00 175.22 172.50 3k85 s ILE 331 N -1.79 1.43 -0.23 0.64 1.10 -0.35 -4.71 121.20 117.30 3k85 s ILE 331 Ca 0.64 -0.66 0.19 0.00 -0.51 0.00 0.00 60.65 60.31 3k85 s ILE 331 Cb -0.21 -1.27 0.18 0.00 0.15 0.00 0.00 42.46 41.31 3k85 s ILE 331 CO 0.25 0.42 1.54 -0.78 -2.11 0.00 0.00 174.94 174.27 3k85 h ASP 332 N 6.78 0.00 -3.64 4.50 3.58 -1.94 -3.12 116.42 122.58 3k85 h ASP 332 Ca -0.28 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.67 3k85 h ASP 332 Cb 1.20 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 3k85 h ASP 332 CO 0.47 0.29 0.03 -1.81 -2.88 0.00 0.00 179.24 175.35 3k85 s ASP 333 N -6.34 6.73 0.18 2.28 1.11 -1.26 -2.65 116.67 116.72 3k85 s ASP 333 Ca 0.05 1.18 0.00 0.00 0.18 0.00 0.00 52.55 53.96 3k85 s ASP 333 Cb 0.07 -2.33 0.01 0.00 1.07 0.00 0.00 42.92 41.73 3k85 s ASP 333 CO 0.71 -0.16 0.04 0.61 1.18 0.00 0.00 175.17 177.55 3k85 n GLY 334 N -0.29 1.46 3.52 0.21 0.00 -1.22 -4.29 105.19 104.57 3k85 n GLY 334 Ca 0.03 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.98 -0.75 -3.50 4.61 0.00 0.24 -4.82 120.51 113.31 3k85 n ALA 335 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 3k85 n ALA 335 Cb 0.03 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.68 -0.42 0.27 0.00 -0.00 -0.86 -4.97 115.29 107.63 3k85 s HIS 336 Ca 0.71 0.40 0.05 0.00 -0.00 0.00 0.00 55.06 56.23 3k85 s HIS 336 Cb -0.42 0.51 -0.06 0.00 -0.00 0.00 0.00 32.58 32.62 3k85 s HIS 336 CO 0.52 -0.58 -0.03 0.20 -0.00 0.00 0.00 174.74 174.85 3k85 s GLY 337 N -2.17 1.78 0.12 -1.38 0.00 -1.26 -1.99 107.32 102.42 3k85 s GLY 337 Ca 0.01 -1.88 -0.17 0.00 0.00 0.00 0.00 44.72 42.68 3k85 s GLY 337 CO -0.06 -1.79 0.42 0.66 0.00 0.00 0.00 173.10 172.33 3k85 s TRP 338 N -3.15 -0.23 0.02 1.90 -2.14 -0.19 -4.97 118.94 110.17 3k85 s TRP 338 Ca 0.30 -0.05 0.05 0.00 2.66 0.00 0.00 56.10 59.06 3k85 s TRP 338 Cb 0.05 0.28 -0.03 0.00 -3.10 0.00 0.00 33.47 30.66 3k85 s TRP 338 CO 0.11 -0.70 -0.11 0.15 -2.66 0.00 0.00 176.95 173.74 3k85 s LYS 339 N -3.66 2.35 -0.32 3.25 1.02 -1.26 -1.02 119.74 120.10 3k85 s LYS 339 Ca 0.02 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.18 3k85 s LYS 339 Cb 0.01 -2.38 0.07 0.00 -0.52 0.00 0.00 37.83 35.02 3k85 s LYS 339 CO -0.11 0.57 0.02 0.42 -0.92 0.00 0.00 175.35 175.33 3k85 s ILE 340 N -0.99 2.69 -0.42 2.17 -1.09 0.46 -5.00 121.20 119.02 3k85 s ILE 340 Ca 0.17 -1.79 -0.28 0.00 -2.23 0.00 0.00 60.65 56.52 3k85 s ILE 340 Cb -0.11 -2.71 0.02 0.00 -1.58 0.00 0.00 42.46 38.09 3k85 s ILE 340 CO 0.07 -0.31 1.06 -0.31 -1.23 0.00 0.00 174.94 174.23 3k85 s TYR 341 N 1.12 2.95 -2.18 3.97 2.02 -1.26 -2.19 117.35 121.77 3k85 s TYR 341 Ca -0.00 0.79 0.31 0.00 -0.37 0.00 0.00 57.07 57.79 3k85 s TYR 341 Cb -0.20 -4.07 1.60 0.00 -0.40 0.00 0.00 41.96 38.88 3k85 s TYR 341 CO -0.04 -1.06 2.05 0.43 -1.57 0.00 0.00 175.55 175.36