#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubt n MET 2 N 0.00 0.00 0.00 3.23 0.00 -1.26 -4.81 117.12 114.28 1ubt n MET 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ubt n MET 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1ubt n MET 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ubt n GLY 3 N 0.00 1.47 0.00 -5.12 0.00 -1.26 -5.11 105.19 95.16 1ubt n GLY 3 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ubt n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ubt n PRO 4 N 0.00 3.16 0.24 1.61 -0.02 -1.26 -4.73 135.00 134.00 1ubt n PRO 4 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1ubt n PRO 4 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 33.50 34.20 1ubt n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ubt h ARG 5 N 0.00 0.00 -6.01 -0.52 3.08 -2.03 -3.42 114.38 105.48 1ubt h ARG 5 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1ubt h ARG 5 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1ubt h ARG 5 CO 0.00 0.00 -0.23 1.03 -1.07 0.00 0.00 179.97 179.70 1ubt s ARG 6 N -4.94 3.85 0.25 0.04 0.52 -1.26 -5.03 118.95 112.37 1ubt s ARG 6 Ca -0.05 0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.18 1ubt s ARG 6 Cb 0.17 -3.16 -0.10 0.00 0.52 0.00 0.00 34.95 32.38 1ubt s ARG 6 CO 0.64 0.66 1.47 -1.25 0.02 0.00 0.00 175.30 176.84 1ubt s PRO 7 N -1.29 4.25 0.10 3.54 0.04 -1.26 -4.44 135.00 135.94 1ubt s PRO 7 Ca 0.26 2.33 -0.30 0.00 0.04 0.00 0.00 61.00 63.33 1ubt s PRO 7 Cb -0.16 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.22 1ubt s PRO 7 CO 0.14 -0.46 1.09 0.45 0.04 0.00 0.00 177.00 178.27 1ubt s SER 8 N 0.44 7.25 -0.08 6.66 0.15 -1.26 -0.65 113.70 126.21 1ubt s SER 8 Ca 0.61 1.95 0.04 0.00 0.70 0.00 0.00 55.95 59.25 1ubt s SER 8 Cb -0.43 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 1ubt s SER 8 CO 0.43 -0.29 -0.21 -0.69 1.20 0.00 0.00 173.24 173.67 1ubt s VAL 9 N 0.43 1.84 -0.24 4.45 1.01 0.41 -0.64 120.40 127.67 1ubt s VAL 9 Ca 0.53 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1ubt s VAL 9 Cb -0.27 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1ubt s VAL 9 CO 0.31 0.51 -0.02 -0.69 0.00 0.00 0.00 175.10 175.21 1ubt s VAL 10 N 0.30 3.44 -0.24 2.92 1.01 -0.02 -0.62 120.40 127.20 1ubt s VAL 10 Ca -0.15 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1ubt s VAL 10 Cb -0.16 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1ubt s VAL 10 CO 0.07 0.34 -0.02 -0.47 0.00 0.00 0.00 175.10 175.02 1ubt s TYR 11 N 1.47 3.01 0.01 5.22 5.04 -0.46 -0.80 117.35 130.85 1ubt s TYR 11 Ca 0.05 -0.99 0.02 0.00 -2.44 0.00 0.00 57.07 53.70 1ubt s TYR 11 Cb -0.15 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 39.99 1ubt s TYR 11 CO -0.02 -0.56 0.01 -0.51 -1.34 0.00 0.00 175.55 173.13 1ubt s LEU 12 N 1.47 3.56 -0.23 6.97 1.43 -0.18 -4.16 118.68 127.55 1ubt s LEU 12 Ca 0.04 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1ubt s LEU 12 Cb -0.15 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.03 1ubt s LEU 12 CO -0.02 0.27 -0.12 -1.00 0.23 0.00 0.00 176.35 175.71 1ubt s HIS 13 N -1.13 3.05 0.00 0.29 3.76 -1.26 -0.91 115.29 119.09 1ubt s HIS 13 Ca 0.21 -1.83 0.00 0.00 -0.15 0.00 0.00 55.06 53.28 1ubt s HIS 13 Cb -0.12 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.60 1ubt s HIS 13 CO 0.12 -0.80 0.00 0.09 -0.85 0.00 0.00 174.74 173.29 1ubt n ASN 14 N 4.58 0.00 -4.45 1.40 3.02 0.46 -4.97 115.26 115.30 1ubt n ASN 14 Ca -0.17 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.95 1ubt n ASN 14 Cb 0.46 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 1ubt n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ubt s ALA 15 N -3.05 3.26 0.15 5.41 0.00 -0.01 -4.89 121.76 122.64 1ubt s ALA 15 Ca 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 51.96 50.06 1ubt s ALA 15 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1ubt s ALA 15 CO 0.00 -2.38 0.40 -1.83 0.00 0.00 0.00 175.76 171.95 1ubt s GLU 16 N 3.34 1.17 0.00 0.00 4.04 -1.26 -1.29 118.70 124.70 1ubt s GLU 16 Ca 0.20 -0.89 0.15 0.00 0.04 0.00 0.00 54.97 54.47 1ubt s GLU 16 Cb -0.18 0.45 0.05 0.00 0.02 0.00 0.00 34.13 34.47 1ubt s GLU 16 CO 0.12 -0.46 0.88 0.00 -1.84 0.00 0.00 175.26 173.96 1ubt n THR 18 N 0.27 0.00 0.05 0.00 -1.04 -1.26 -4.89 114.28 107.41 1ubt n THR 18 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1ubt n THR 18 Cb 0.34 -0.11 0.31 0.00 -1.82 0.00 0.00 70.33 69.06 1ubt n THR 18 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1ubt h GLY 19 N 0.00 0.44 1.03 3.41 0.00 -1.99 -0.70 103.07 105.27 1ubt h GLY 19 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 1ubt h GLY 19 CO 0.00 0.26 -0.32 0.00 0.00 0.00 0.00 176.54 176.48 1ubt h SER 21 N 0.57 0.54 -0.97 0.00 0.02 -1.90 -2.10 113.55 109.71 1ubt h SER 21 Ca 0.05 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1ubt h SER 21 Cb 0.90 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 1ubt h SER 21 CO 0.08 0.37 0.64 -0.33 -1.14 0.00 0.00 176.83 176.45 1ubt h GLU 22 N 0.67 1.26 -0.41 3.45 4.39 -0.94 -2.06 114.58 120.95 1ubt h GLU 22 Ca 0.25 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1ubt h GLU 22 Cb 0.08 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1ubt h GLU 22 CO -0.13 0.84 0.25 0.66 -1.16 0.00 0.00 179.01 179.47 1ubt h SER 23 N 1.30 0.48 0.09 1.42 4.64 -0.25 -1.03 113.55 120.21 1ubt h SER 23 Ca 0.36 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 1ubt h SER 23 Cb -0.13 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1ubt h SER 23 CO -0.08 0.37 -0.38 0.58 -0.87 0.00 0.00 176.83 176.45 1ubt h VAL 24 N 0.56 1.30 0.00 0.95 2.07 -0.99 -1.32 116.25 118.81 1ubt h VAL 24 Ca 0.15 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 1ubt h VAL 24 Cb -0.02 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1ubt h VAL 24 CO -0.03 0.46 -0.01 -0.07 0.02 0.00 0.00 177.57 177.94 1ubt h LEU 25 N 0.33 0.00 -0.39 2.57 4.07 -0.96 -1.34 115.31 119.58 1ubt h LEU 25 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1ubt h LEU 25 Cb 0.82 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1ubt h LEU 25 CO 0.07 0.01 0.00 0.54 -1.08 0.00 0.00 178.44 177.98 1ubt n ARG 26 N -3.21 1.26 -1.54 1.13 5.12 -0.50 -4.69 116.66 114.23 1ubt n ARG 26 Ca -0.02 -0.39 -0.49 0.00 -1.93 0.00 0.00 57.85 55.02 1ubt n ARG 26 Cb 0.14 -1.30 -0.04 0.00 -1.16 0.00 0.00 32.46 30.09 1ubt n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ubt n ALA 27 N -0.37 -1.37 -3.81 7.54 0.00 -0.51 -4.95 120.51 117.05 1ubt n ALA 27 Ca 0.14 0.47 -0.26 0.00 0.00 0.00 0.00 53.44 53.79 1ubt n ALA 27 Cb 0.15 -1.93 -0.17 0.00 0.00 0.00 0.00 19.45 17.50 1ubt n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ubt s PHE 28 N -0.39 1.35 -0.82 0.00 5.36 -1.26 -4.04 117.98 118.18 1ubt s PHE 28 Ca 0.72 -0.62 -0.02 0.00 -0.96 0.00 0.00 56.93 56.06 1ubt s PHE 28 Cb -0.89 -1.13 -0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1ubt s PHE 28 CO 0.54 -0.44 0.67 0.39 -1.46 0.00 0.00 175.22 174.92 1ubt n GLU 29 N 4.75 -1.41 -2.97 10.12 -0.58 -1.26 -4.62 120.64 124.66 1ubt n GLU 29 Ca -0.14 1.07 -0.33 0.00 -0.42 0.00 0.00 57.16 57.33 1ubt n GLU 29 Cb 0.50 -4.04 -0.07 0.00 -0.57 0.00 0.00 31.44 27.27 1ubt n GLU 29 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ubt s PRO 30 N -4.16 4.15 0.73 3.49 0.04 -1.26 -5.18 135.00 132.81 1ubt s PRO 30 Ca 0.04 0.93 -0.10 0.00 0.04 0.00 0.00 61.00 61.91 1ubt s PRO 30 Cb -0.02 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 32.23 1ubt s PRO 30 CO 0.83 0.08 1.09 0.71 0.04 0.00 0.00 177.00 179.74 1ubt s TYR 31 N -2.05 3.09 0.37 0.56 1.51 -1.26 -4.72 117.35 114.85 1ubt s TYR 31 Ca 0.57 0.76 0.12 0.00 -1.01 0.00 0.00 57.07 57.52 1ubt s TYR 31 Cb -0.10 -3.22 0.72 0.00 -0.11 0.00 0.00 41.96 39.25 1ubt s TYR 31 CO 0.16 -1.42 1.83 0.97 -1.11 0.00 0.00 175.55 175.98 1ubt h ILE 32 N -0.74 1.26 -0.31 2.71 6.09 -1.84 -1.75 117.51 122.94 1ubt h ILE 32 Ca -0.45 -1.25 -0.05 0.00 -1.37 0.00 0.00 64.86 61.75 1ubt h ILE 32 Cb 1.30 1.66 -0.01 0.00 0.47 0.00 0.00 36.82 40.24 1ubt h ILE 32 CO 0.64 0.36 0.01 -2.24 -3.07 0.00 0.00 178.15 173.85 1ubt h ASP 33 N 0.01 0.53 -0.62 2.19 2.03 -1.94 -0.41 116.42 118.21 1ubt h ASP 33 Ca -0.00 -0.30 0.08 0.00 -0.73 0.00 0.00 57.03 56.08 1ubt h ASP 33 Cb 0.64 -0.14 -0.07 0.00 -0.83 0.00 0.00 39.33 38.94 1ubt h ASP 33 CO 0.05 0.69 0.28 0.74 -1.03 0.00 0.00 179.24 179.97 1ubt h THR 34 N 0.34 0.84 -0.40 1.15 2.02 -1.84 0.23 112.91 115.26 1ubt h THR 34 Ca 0.09 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ubt h THR 34 Cb 0.42 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1ubt h THR 34 CO 0.01 0.09 0.24 -0.07 0.37 0.00 0.00 175.52 176.16 1ubt h LEU 35 N 0.49 0.39 0.00 2.58 -0.00 -1.11 0.21 115.31 117.89 1ubt h LEU 35 Ca 0.30 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 58.07 1ubt h LEU 35 Cb 0.32 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 1ubt h LEU 35 CO -0.26 0.28 -0.55 0.40 -0.00 0.00 0.00 178.44 178.32 1ubt h ILE 36 N 0.49 0.93 0.02 1.22 1.08 -0.74 -1.20 117.51 119.31 1ubt h ILE 36 Ca 0.16 -2.31 -0.35 0.00 -0.39 0.00 0.00 64.86 61.96 1ubt h ILE 36 Cb -0.01 2.46 -0.05 0.00 -3.07 0.00 0.00 36.82 36.15 1ubt h ILE 36 CO -0.06 0.53 -2.13 0.18 -0.69 0.00 0.00 178.15 175.97 1ubt n LEU 37 N -3.23 1.28 -0.06 1.44 4.32 0.04 -4.57 117.00 116.22 1ubt n LEU 37 Ca 0.02 0.14 -0.09 0.00 -0.02 0.00 0.00 56.01 56.05 1ubt n LEU 37 Cb 0.75 -0.14 -0.05 0.00 -1.62 0.00 0.00 43.42 42.36 1ubt n LEU 37 CO 0.41 0.61 -0.87 0.47 -1.22 0.00 0.00 177.39 176.79 1ubt n ASP 38 N -3.06 2.48 0.03 -1.43 8.00 0.68 -4.85 116.55 118.40 1ubt n ASP 38 Ca -0.30 -0.00 -0.22 0.00 0.71 0.00 0.00 54.79 54.97 1ubt n ASP 38 Cb 1.08 -0.22 -0.14 0.00 -0.02 0.00 0.00 41.12 41.81 1ubt n ASP 38 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1ubt h THR 39 N -0.12 0.96 -3.55 -3.53 2.02 -1.17 -3.48 112.91 104.03 1ubt h THR 39 Ca -0.26 -2.44 -0.32 0.00 0.77 0.00 0.00 66.41 64.16 1ubt h THR 39 Cb 1.35 2.71 -0.15 0.00 -1.74 0.00 0.00 68.15 70.33 1ubt h THR 39 CO -0.08 0.78 -0.67 -0.76 0.37 0.00 0.00 175.52 175.16 1ubt s LEU 40 N -7.41 2.21 -0.33 2.58 1.02 -0.47 -4.28 118.68 112.00 1ubt s LEU 40 Ca -0.19 -1.16 -0.02 0.00 0.02 0.00 0.00 54.13 52.78 1ubt s LEU 40 Cb 0.05 -0.17 0.07 0.00 0.02 0.00 0.00 46.19 46.15 1ubt s LEU 40 CO 0.80 -0.51 0.05 -0.55 0.02 0.00 0.00 176.35 176.16 1ubt s SER 41 N -3.22 4.98 -0.70 2.29 0.15 0.18 -4.37 113.70 113.02 1ubt s SER 41 Ca 0.24 -1.48 -0.24 0.00 0.70 0.00 0.00 55.95 55.17 1ubt s SER 41 Cb 0.05 -1.74 0.06 0.00 -1.71 0.00 0.00 66.02 62.68 1ubt s SER 41 CO 0.05 -0.33 1.10 -0.22 1.20 0.00 0.00 173.24 175.03 1ubt s LEU 42 N 1.21 3.91 0.00 3.45 2.96 -1.26 -0.45 118.68 128.51 1ubt s LEU 42 Ca -0.01 -0.81 0.22 0.00 -0.22 0.00 0.00 54.13 53.31 1ubt s LEU 42 Cb -0.20 -2.47 -0.07 0.00 0.50 0.00 0.00 46.19 43.94 1ubt s LEU 42 CO -0.02 -1.59 0.98 0.47 -1.32 0.00 0.00 176.35 174.87 1ubt n ASP 43 N 8.35 0.80 -3.66 3.68 10.43 0.21 -4.82 116.55 131.54 1ubt n ASP 43 Ca -0.00 -0.71 -0.08 0.00 2.57 0.00 0.00 54.79 56.57 1ubt n ASP 43 Cb 0.47 0.90 -0.09 0.00 1.84 0.00 0.00 41.12 44.24 1ubt n ASP 43 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1ubt s TYR 44 N -3.05 -0.88 -0.30 1.24 5.04 -1.23 -4.69 117.35 113.48 1ubt s TYR 44 Ca 0.07 1.80 -0.04 0.00 -2.44 0.00 0.00 57.07 56.45 1ubt s TYR 44 Cb 0.16 0.49 0.19 0.00 0.35 0.00 0.00 41.96 43.15 1ubt s TYR 44 CO 0.83 -0.46 0.81 -1.58 -1.34 0.00 0.00 175.55 173.82 1ubt s HIS 45 N 1.55 -1.16 0.55 4.97 2.46 -1.26 -1.35 115.29 121.05 1ubt s HIS 45 Ca -0.10 0.92 0.26 0.00 0.47 0.00 0.00 55.06 56.61 1ubt s HIS 45 Cb -0.06 0.29 1.62 0.00 -0.13 0.00 0.00 32.58 34.30 1ubt s HIS 45 CO -0.17 -0.66 2.20 0.93 -2.47 0.00 0.00 174.74 174.57 1ubt h GLU 46 N 7.82 0.00 -0.11 2.88 5.08 -1.95 0.16 114.58 128.46 1ubt h GLU 46 Ca -0.11 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 1ubt h GLU 46 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1ubt h GLU 46 CO 0.06 0.03 -0.61 1.15 -1.00 0.00 0.00 179.01 178.64 1ubt h THR 47 N 0.00 1.36 0.00 1.13 2.02 -1.97 -3.37 112.91 112.08 1ubt h THR 47 Ca -0.00 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1ubt h THR 47 Cb 0.06 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1ubt h THR 47 CO 0.00 0.59 0.00 2.30 0.37 0.00 0.00 175.52 178.78 1ubt n ILE 48 N -3.90 0.00 -2.30 3.11 -5.35 -0.93 -5.06 119.36 104.93 1ubt n ILE 48 Ca -0.03 -0.38 -0.35 0.00 -0.27 0.00 0.00 62.75 61.71 1ubt n ILE 48 Cb 0.63 1.12 -0.01 0.00 -1.74 0.00 0.00 39.64 39.64 1ubt n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ubt s MET 49 N -0.37 3.53 0.06 6.28 0.23 0.00 -4.97 119.30 124.07 1ubt s MET 49 Ca 0.00 1.62 -0.17 0.00 -1.03 0.00 0.00 55.69 56.11 1ubt s MET 49 Cb 0.00 -2.13 -0.14 0.00 -1.53 0.00 0.00 34.83 31.03 1ubt s MET 49 CO 0.00 -0.70 1.31 0.00 -2.03 0.00 0.00 175.02 173.60 1ubt h ALA 50 N 1.49 0.27 -2.68 3.16 0.00 -1.96 -3.45 119.26 116.10 1ubt h ALA 50 Ca -0.50 -0.43 -0.51 0.00 0.00 0.00 0.00 54.91 53.47 1ubt h ALA 50 Cb 1.25 -0.04 0.07 0.00 0.00 0.00 0.00 17.79 19.07 1ubt h ALA 50 CO 0.58 0.34 0.47 0.00 0.00 0.00 0.00 179.25 180.64 1ubt s ALA 51 N -4.02 2.87 0.27 0.00 0.00 -1.26 -5.06 121.76 114.56 1ubt s ALA 51 Ca -0.13 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1ubt s ALA 51 Cb 0.06 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 1ubt s ALA 51 CO 0.81 -0.74 0.04 0.00 0.00 0.00 0.00 175.76 175.88 1ubt s ALA 52 N -1.60 1.97 0.00 0.00 0.00 -1.26 -4.49 121.76 116.37 1ubt s ALA 52 Ca 0.67 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1ubt s ALA 52 Cb -0.28 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1ubt s ALA 52 CO 0.33 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1ubt n GLY 53 N -0.52 2.93 0.37 0.00 0.00 -1.26 -2.09 105.19 104.62 1ubt n GLY 53 Ca -0.03 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.77 1ubt n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ubt h ASP 54 N 8.46 0.69 -0.48 1.61 3.32 -1.99 0.24 116.42 128.27 1ubt h ASP 54 Ca 0.00 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1ubt h ASP 54 Cb 0.00 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1ubt h ASP 54 CO 0.00 0.36 -0.02 0.00 -1.72 0.00 0.00 179.24 177.86 1ubt h ALA 55 N 1.59 0.96 -0.26 3.45 0.00 -1.81 0.02 119.26 123.22 1ubt h ALA 55 Ca 0.44 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1ubt h ALA 55 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ubt h ALA 55 CO -0.20 0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 1ubt h ALA 56 N 1.13 0.36 -0.87 0.00 0.00 -0.86 -1.85 119.26 117.16 1ubt h ALA 56 Ca 0.15 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ubt h ALA 56 Cb 0.53 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1ubt h ALA 56 CO 0.03 0.19 0.53 0.93 0.00 0.00 0.00 179.25 180.92 1ubt h GLU 57 N 0.25 0.89 -0.55 0.00 5.08 -0.68 -1.11 114.58 118.46 1ubt h GLU 57 Ca 0.06 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1ubt h GLU 57 Cb 0.57 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1ubt h GLU 57 CO 0.03 0.59 -0.04 0.00 -1.00 0.00 0.00 179.01 178.59 1ubt h ALA 58 N 1.44 0.89 -0.96 3.43 0.00 -0.93 -1.40 119.26 121.73 1ubt h ALA 58 Ca 0.40 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ubt h ALA 58 Cb 0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1ubt h ALA 58 CO -0.21 0.65 0.61 0.00 0.00 0.00 0.00 179.25 180.30 1ubt h ALA 59 N 1.06 1.22 -0.04 0.00 0.00 -0.53 -0.55 119.26 120.41 1ubt h ALA 59 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ubt h ALA 59 Cb 0.57 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ubt h ALA 59 CO 0.03 0.64 0.00 1.25 0.00 0.00 0.00 179.25 181.17 1ubt h LEU 60 N 1.31 0.08 -0.63 0.00 5.85 -0.86 -1.97 115.31 119.09 1ubt h LEU 60 Ca 0.35 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ubt h LEU 60 Cb -0.11 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1ubt h LEU 60 CO -0.07 0.36 0.41 -0.08 -0.34 0.00 0.00 178.44 178.71 1ubt h GLU 61 N -0.21 0.79 -0.84 1.25 4.22 -1.10 -0.53 114.58 118.17 1ubt h GLU 61 Ca 0.01 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.43 1ubt h GLU 61 Cb 0.32 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1ubt h GLU 61 CO 0.00 0.52 0.55 0.37 -2.18 0.00 0.00 179.01 178.27 1ubt h GLN 62 N 0.81 1.05 -0.26 1.92 4.15 -0.95 -1.04 115.11 120.80 1ubt h GLN 62 Ca 0.24 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.53 1ubt h GLN 62 Cb -0.04 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 1ubt h GLN 62 CO -0.07 0.70 -0.10 0.00 -1.93 0.00 0.00 178.83 177.42 1ubt h ALA 63 N 1.33 0.36 -0.01 3.38 0.00 -0.88 -2.91 119.26 120.54 1ubt h ALA 63 Ca 0.32 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1ubt h ALA 63 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ubt h ALA 63 CO -0.10 0.21 -0.54 -0.39 0.00 0.00 0.00 179.25 178.43 1ubt h VAL 64 N 0.26 1.39 -0.21 0.00 -1.51 -0.89 -2.80 116.25 112.49 1ubt h VAL 64 Ca 0.06 -1.86 0.00 0.00 -1.23 0.00 0.00 66.70 63.67 1ubt h VAL 64 Cb 0.60 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1ubt h VAL 64 CO 0.03 0.53 0.00 0.59 -1.23 0.00 0.00 177.57 177.50 1ubt n ASN 65 N -3.90 2.11 -4.72 4.19 3.02 -0.41 -4.89 115.26 110.65 1ubt n ASN 65 Ca -0.01 -1.78 -0.43 0.00 -0.03 0.00 0.00 54.58 52.33 1ubt n ASN 65 Cb 0.55 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 1ubt n ASN 65 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ubt n SER 66 N 0.62 3.66 0.10 6.41 2.88 -1.06 -4.84 113.62 121.38 1ubt n SER 66 Ca 0.17 1.13 0.09 0.00 -1.33 0.00 0.00 58.87 58.92 1ubt n SER 66 Cb 0.40 -1.55 0.41 0.00 -0.75 0.00 0.00 64.21 62.72 1ubt n SER 66 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ubt n PRO 67 N 2.53 0.11 0.03 -1.46 -0.04 -1.26 -2.17 135.00 132.73 1ubt n PRO 67 Ca 0.11 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 1ubt n PRO 67 Cb 0.35 -1.78 0.47 0.00 -0.04 0.00 0.00 33.50 32.50 1ubt n PRO 67 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ubt n HIS 68 N -2.00 0.22 0.00 0.54 8.25 -1.26 -5.03 115.22 115.94 1ubt n HIS 68 Ca 0.01 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1ubt n HIS 68 Cb 0.11 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.67 1ubt n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ubt n GLY 69 N 1.45 -0.31 3.14 -1.41 0.00 -0.92 -4.97 105.19 102.17 1ubt n GLY 69 Ca 0.06 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 1ubt n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ubt s PHE 70 N -3.01 0.32 -0.16 1.61 -0.71 -1.26 -4.40 117.98 110.37 1ubt s PHE 70 Ca 0.00 -0.78 -0.08 0.00 -1.04 0.00 0.00 56.93 55.03 1ubt s PHE 70 Cb 0.00 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 1ubt s PHE 70 CO 0.00 -0.44 0.13 0.42 -1.34 0.00 0.00 175.22 173.99 1ubt s ILE 71 N -3.65 5.39 -0.16 -4.49 1.01 0.19 -0.57 121.20 118.91 1ubt s ILE 71 Ca 0.04 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 1ubt s ILE 71 Cb 0.05 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1ubt s ILE 71 CO -0.09 0.53 0.10 0.00 0.00 0.00 0.00 174.94 175.47 1ubt s ALA 72 N -0.32 3.60 -0.16 9.38 0.00 -0.38 -0.84 121.76 133.04 1ubt s ALA 72 Ca 0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1ubt s ALA 72 Cb -0.12 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 1ubt s ALA 72 CO 0.01 0.32 -0.09 0.08 0.00 0.00 0.00 175.76 176.08 1ubt s VAL 73 N -0.08 3.32 -0.13 0.00 1.01 0.02 -0.67 120.40 123.87 1ubt s VAL 73 Ca 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1ubt s VAL 73 Cb -0.12 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1ubt s VAL 73 CO 0.01 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 1ubt s VAL 74 N 0.63 1.97 -0.12 2.92 1.01 -0.17 -1.01 120.40 125.64 1ubt s VAL 74 Ca -0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1ubt s VAL 74 Cb -0.15 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1ubt s VAL 74 CO 0.03 0.53 -0.07 -0.70 0.00 0.00 0.00 175.10 174.89 1ubt s GLU 75 N 0.82 3.30 0.00 2.72 2.12 -0.09 -0.54 118.70 127.03 1ubt s GLU 75 Ca -0.07 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.68 1ubt s GLU 75 Cb -0.16 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.50 1ubt s GLU 75 CO -0.01 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.49 1ubt n GLY 76 N 3.10 2.11 3.80 -1.50 0.00 -1.26 -0.40 105.19 111.04 1ubt n GLY 76 Ca -0.18 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 1ubt n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubt s GLY 77 N -0.06 2.03 -0.34 -0.02 0.00 -0.41 -3.48 107.32 105.03 1ubt s GLY 77 Ca 0.00 0.35 -0.14 0.00 0.00 0.00 0.00 44.72 44.93 1ubt s GLY 77 CO 0.00 0.67 0.32 -0.42 0.00 0.00 0.00 173.10 173.67 1ubt s ILE 78 N -2.56 5.21 -0.03 0.90 1.01 0.08 -0.83 121.20 124.98 1ubt s ILE 78 Ca 0.63 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.91 1ubt s ILE 78 Cb -0.16 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1ubt s ILE 78 CO 0.41 -0.08 1.22 -2.16 0.00 0.00 0.00 174.94 174.34 1ubt s PRO 79 N 1.91 4.36 0.00 2.79 0.05 -1.26 -0.95 135.00 141.90 1ubt s PRO 79 Ca 0.10 1.71 0.07 0.00 0.05 0.00 0.00 61.00 62.93 1ubt s PRO 79 Cb -0.17 -3.53 -0.08 0.00 0.05 0.00 0.00 34.50 30.78 1ubt s PRO 79 CO 0.11 -0.43 0.30 0.25 0.05 0.00 0.00 177.00 177.28 1ubt n THR 80 N 4.52 0.00 -1.17 1.26 -2.24 0.00 -4.22 114.28 112.43 1ubt n THR 80 Ca 0.11 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 1ubt n THR 80 Cb 0.46 1.00 0.11 0.00 -2.10 0.00 0.00 70.33 69.80 1ubt n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubt s ALA 81 N -1.66 2.03 -1.64 6.98 0.00 -0.40 -3.05 121.76 124.02 1ubt s ALA 81 Ca 0.03 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.29 1ubt s ALA 81 Cb 0.05 -3.36 0.13 0.00 0.00 0.00 0.00 23.12 19.95 1ubt s ALA 81 CO 0.29 -2.03 0.85 0.00 0.00 0.00 0.00 175.76 174.87 1ubt n ALA 82 N -3.51 -1.28 -2.65 0.00 0.00 -1.26 -1.08 120.51 110.73 1ubt n ALA 82 Ca 0.11 0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.39 1ubt n ALA 82 Cb 0.52 -3.78 0.01 0.00 0.00 0.00 0.00 19.45 16.20 1ubt n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ubt n ASN 83 N -2.72 -5.88 0.00 0.00 5.15 -1.20 -3.00 115.26 107.61 1ubt n ASN 83 Ca 0.06 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1ubt n ASN 83 Cb 0.51 -4.81 0.00 0.00 -0.53 0.00 0.00 39.78 34.94 1ubt n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ubt n GLY 84 N -1.23 0.79 0.33 8.20 0.00 -0.24 -4.95 105.19 108.09 1ubt n GLY 84 Ca -0.18 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.04 1ubt n GLY 84 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ubt h ILE 85 N 0.00 0.10 0.00 -0.61 5.03 -1.60 -2.95 117.51 117.49 1ubt h ILE 85 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1ubt h ILE 85 Cb 0.00 0.96 0.00 0.00 -3.03 0.00 0.00 36.82 34.75 1ubt h ILE 85 CO 0.00 0.00 0.00 -1.22 -0.68 0.00 0.00 178.15 176.25 1ubt n TYR 86 N -3.22 0.27 -3.64 1.37 4.01 -1.26 -4.57 117.16 110.12 1ubt n TYR 86 Ca -0.03 0.09 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 1ubt n TYR 86 Cb 0.11 -0.64 -0.15 0.00 -0.31 0.00 0.00 39.34 38.35 1ubt n TYR 86 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ubt s GLY 87 N -3.17 0.05 0.03 2.72 0.00 -1.11 -5.05 107.32 100.79 1ubt s GLY 87 Ca 0.11 0.48 0.03 0.00 0.00 0.00 0.00 44.72 45.34 1ubt s GLY 87 CO 0.47 1.76 -0.09 0.54 0.00 0.00 0.00 173.10 175.78 1ubt s LYS 88 N 2.30 0.59 -0.06 2.90 1.02 -1.26 -0.92 119.74 124.30 1ubt s LYS 88 Ca 0.03 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.42 1ubt s LYS 88 Cb -0.13 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1ubt s LYS 88 CO -0.07 0.11 -0.16 0.08 -0.92 0.00 0.00 175.35 174.39 1ubt s VAL 89 N -0.99 1.38 -1.35 3.17 1.01 -0.01 -4.74 120.40 118.87 1ubt s VAL 89 Ca -0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1ubt s VAL 89 Cb -0.08 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1ubt s VAL 89 CO 0.01 0.40 0.17 0.00 0.00 0.00 0.00 175.10 175.68 1ubt n ALA 90 N 3.51 -0.81 -2.00 5.51 0.00 -1.26 -1.07 120.51 124.39 1ubt n ALA 90 Ca -0.20 0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 1ubt n ALA 90 Cb 0.52 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 1ubt n ALA 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ubt n ASN 91 N -2.04 -5.02 -4.54 0.00 4.05 -1.26 -5.01 115.26 101.44 1ubt n ASN 91 Ca -0.15 0.15 -0.33 0.00 0.45 0.00 0.00 54.58 54.71 1ubt n ASN 91 Cb 0.62 -4.08 -0.12 0.00 1.23 0.00 0.00 39.78 37.44 1ubt n ASN 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1ubt s HIS 92 N -2.76 2.81 0.61 1.20 3.76 -0.23 -5.08 115.29 115.58 1ubt s HIS 92 Ca 0.00 -0.08 -0.18 0.00 -0.15 0.00 0.00 55.06 54.65 1ubt s HIS 92 Cb 0.00 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.03 1ubt s HIS 92 CO 0.00 0.28 1.17 0.95 -0.85 0.00 0.00 174.74 176.29 1ubt s THR 93 N -0.84 2.83 0.38 1.30 -4.23 -1.26 -0.83 115.64 112.99 1ubt s THR 93 Ca 0.13 0.48 0.07 0.00 -1.18 0.00 0.00 61.69 61.19 1ubt s THR 93 Cb -0.11 -3.13 0.20 0.00 1.34 0.00 0.00 72.50 70.81 1ubt s THR 93 CO 0.03 -0.15 1.97 0.24 -0.54 0.00 0.00 174.62 176.17 1ubt h MET 94 N 0.68 0.45 -0.39 3.99 2.86 -1.24 -0.66 114.93 120.62 1ubt h MET 94 Ca -0.49 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.07 1ubt h MET 94 Cb 1.28 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1ubt h MET 94 CO 0.55 0.42 0.21 1.25 1.06 0.00 0.00 176.91 180.39 1ubt h LEU 95 N 0.44 0.49 -0.57 1.22 6.46 -1.83 -0.38 115.31 121.14 1ubt h LEU 95 Ca 0.11 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 1ubt h LEU 95 Cb 0.17 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1ubt h LEU 95 CO -0.00 0.45 -0.02 -0.78 -0.62 0.00 0.00 178.44 177.46 1ubt h ASP 96 N 0.49 1.00 0.07 1.25 3.58 -1.75 0.18 116.42 121.25 1ubt h ASP 96 Ca 0.14 -0.32 0.01 0.00 0.42 0.00 0.00 57.03 57.28 1ubt h ASP 96 Cb 0.07 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1ubt h ASP 96 CO -0.02 1.07 -0.09 0.40 -2.88 0.00 0.00 179.24 177.73 1ubt h ILE 97 N 0.90 0.80 -0.40 2.25 2.04 -0.94 -1.07 117.51 121.09 1ubt h ILE 97 Ca 0.16 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.91 1ubt h ILE 97 Cb 0.57 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1ubt h ILE 97 CO 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 178.01 1ubt h SER 99 N 0.67 0.47 0.51 0.00 0.02 -0.65 -1.02 113.55 113.54 1ubt h SER 99 Ca 0.10 -0.05 -0.30 0.00 -0.84 0.00 0.00 61.79 60.71 1ubt h SER 99 Cb 0.66 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1ubt h SER 99 CO 0.05 0.45 -1.44 0.03 -1.14 0.00 0.00 176.83 174.77 1ubt h ARG 100 N 0.52 0.25 0.08 3.45 3.08 -0.87 -3.40 114.38 117.50 1ubt h ARG 100 Ca 0.13 -0.43 -0.33 0.00 0.07 0.00 0.00 59.98 59.41 1ubt h ARG 100 Cb 0.13 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1ubt h ARG 100 CO -0.01 1.14 -1.81 -0.89 -1.07 0.00 0.00 179.97 177.33 1ubt n ILE 101 N -3.47 1.69 -0.04 2.04 5.41 -0.34 -4.43 119.36 120.22 1ubt n ILE 101 Ca -0.14 -0.46 -0.04 0.00 1.00 0.00 0.00 62.75 63.12 1ubt n ILE 101 Cb 1.04 -1.82 0.19 0.00 -0.71 0.00 0.00 39.64 38.34 1ubt n ILE 101 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ubt h LEU 102 N -0.28 0.62 -1.08 1.39 3.38 -1.41 -0.25 115.31 117.68 1ubt h LEU 102 Ca -0.42 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1ubt h LEU 102 Cb 1.80 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1ubt h LEU 102 CO -0.02 0.76 0.00 -2.65 0.09 0.00 0.00 178.44 176.61 1ubt n PRO 103 N -4.19 0.13 0.00 1.13 -0.02 -1.26 -1.87 135.00 128.93 1ubt n PRO 103 Ca 0.01 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1ubt n PRO 103 Cb 0.34 -1.88 0.25 0.00 -0.02 0.00 0.00 33.50 32.19 1ubt n PRO 103 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ubt n LYS 104 N -2.15 0.55 -2.50 -0.52 5.02 -0.11 -4.94 118.16 113.51 1ubt n LYS 104 Ca -0.00 -0.36 -0.36 0.00 -2.02 0.00 0.00 58.31 55.57 1ubt n LYS 104 Cb 0.08 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1ubt n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ubt s ALA 105 N -2.70 2.98 0.21 7.82 0.00 -0.78 -4.76 121.76 124.54 1ubt s ALA 105 Ca 0.18 0.70 0.16 0.00 0.00 0.00 0.00 51.96 53.01 1ubt s ALA 105 Cb 0.18 -3.28 0.62 0.00 0.00 0.00 0.00 23.12 20.64 1ubt s ALA 105 CO 0.61 -0.32 1.72 1.96 0.00 0.00 0.00 175.76 179.73 1ubt h GLN 106 N 2.07 0.00 -2.21 0.00 1.08 -1.17 -3.45 115.11 111.43 1ubt h GLN 106 Ca -0.49 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.64 1ubt h GLN 106 Cb 1.22 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.45 1ubt h GLN 106 CO 0.61 0.43 0.07 0.00 -0.95 0.00 0.00 178.83 178.98 1ubt s ALA 107 N -3.66 -1.56 -0.08 3.87 0.00 -1.26 -5.06 121.76 114.01 1ubt s ALA 107 Ca -0.01 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.38 1ubt s ALA 107 Cb 0.12 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 1ubt s ALA 107 CO 0.71 -0.33 -0.22 0.08 0.00 0.00 0.00 175.76 175.99 1ubt s VAL 108 N -0.60 1.88 -0.19 0.00 1.01 -1.26 -1.25 120.40 120.00 1ubt s VAL 108 Ca -0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1ubt s VAL 108 Cb -0.02 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1ubt s VAL 108 CO 0.06 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 174.94 1ubt s ILE 109 N 0.17 2.86 -0.31 2.22 1.01 0.16 -0.86 121.20 126.45 1ubt s ILE 109 Ca -0.12 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 59.63 1ubt s ILE 109 Cb -0.16 -2.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.06 1ubt s ILE 109 CO 0.06 0.48 0.75 0.00 0.00 0.00 0.00 174.94 176.23 1ubt s ALA 110 N 1.16 3.53 -0.26 9.38 0.00 0.60 -1.00 121.76 135.17 1ubt s ALA 110 Ca 0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1ubt s ALA 110 Cb -0.14 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1ubt s ALA 110 CO -0.04 -1.17 -0.04 -0.47 0.00 0.00 0.00 175.76 174.04 1ubt s TYR 111 N 2.88 3.11 0.00 0.00 5.04 0.29 -0.82 117.35 127.86 1ubt s TYR 111 Ca 0.31 -1.57 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 1ubt s TYR 111 Cb -0.14 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.08 1ubt s TYR 111 CO 0.12 -0.73 0.00 0.41 -1.34 0.00 0.00 175.55 174.01 1ubt n GLY 112 N 4.67 1.92 0.37 8.97 0.00 0.10 -4.35 105.19 116.88 1ubt n GLY 112 Ca -0.16 -1.73 0.17 0.00 0.00 0.00 0.00 46.02 44.31 1ubt n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ubt h THR 113 N 0.00 0.79 0.11 2.61 2.02 -1.29 0.17 112.91 117.32 1ubt h THR 113 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1ubt h THR 113 Cb 0.00 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1ubt h THR 113 CO 0.00 0.03 -0.05 0.00 0.37 0.00 0.00 175.52 175.87 1ubt h ALA 115 N 0.58 1.13 0.01 0.00 0.00 -1.29 0.93 119.26 120.63 1ubt h ALA 115 Ca -0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1ubt h ALA 115 Cb 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ubt h ALA 115 CO 0.02 0.56 -0.54 1.79 0.00 0.00 0.00 179.25 181.08 1ubt h THR 116 N 0.31 1.46 0.00 0.00 1.35 -0.61 0.46 112.91 115.88 1ubt h THR 116 Ca 0.04 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 1ubt h THR 116 Cb 0.72 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1ubt h THR 116 CO 0.05 0.60 0.00 0.49 -0.25 0.00 0.00 175.52 176.41 1ubt n PHE 117 N -4.27 0.00 0.00 4.73 3.72 0.41 -4.33 117.46 117.73 1ubt n PHE 117 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1ubt n PHE 117 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1ubt n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubt n GLY 118 N 0.11 3.11 7.00 1.37 0.00 0.32 -4.10 105.19 112.99 1ubt n GLY 118 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1ubt n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubt n GLY 119 N 0.00 0.27 0.31 -0.02 0.00 -1.18 -3.57 105.19 101.00 1ubt n GLY 119 Ca 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 1ubt n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ubt h VAL 120 N 0.00 1.25 0.00 1.61 3.04 -1.94 -0.39 116.25 119.83 1ubt h VAL 120 Ca 0.00 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 1ubt h VAL 120 Cb 0.00 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 1ubt h VAL 120 CO 0.00 0.37 0.00 0.00 -1.01 0.00 0.00 177.57 176.93 1ubt n GLN 121 N -4.22 0.22 0.00 4.17 0.00 -1.26 -2.08 117.38 114.21 1ubt n GLN 121 Ca 0.04 0.34 0.14 0.00 0.00 0.00 0.00 57.00 57.51 1ubt n GLN 121 Cb 0.29 -1.84 0.55 0.00 0.00 0.00 0.00 30.24 29.24 1ubt n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ubt n ALA 122 N -1.78 2.83 -1.52 2.61 0.00 -0.17 -4.44 120.51 118.04 1ubt n ALA 122 Ca 0.04 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 1ubt n ALA 122 Cb 0.31 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.52 1ubt n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubt s ALA 123 N -2.59 2.30 0.27 0.00 0.00 -0.89 -4.37 121.76 116.48 1ubt s ALA 123 Ca 0.25 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 1ubt s ALA 123 Cb 0.20 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.72 1ubt s ALA 123 CO 0.51 -1.59 1.20 1.63 0.00 0.00 0.00 175.76 177.51 1ubt n LYS 124 N -2.30 1.67 -0.71 0.00 5.02 -1.26 0.21 118.16 120.80 1ubt n LYS 124 Ca 0.13 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1ubt n LYS 124 Cb 0.50 -2.10 0.26 0.00 -0.02 0.00 0.00 35.03 33.67 1ubt n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ubt n PRO 125 N 1.19 3.46 -3.62 1.97 -0.04 -1.26 -4.99 135.00 131.72 1ubt n PRO 125 Ca 0.10 -2.28 -0.29 0.00 -0.04 0.00 0.00 63.50 60.99 1ubt n PRO 125 Cb 0.32 -2.02 0.05 0.00 -0.04 0.00 0.00 33.50 31.80 1ubt n PRO 125 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ubt n ASN 126 N 0.22 -5.55 0.27 3.54 4.05 0.13 -4.85 115.26 113.07 1ubt n ASN 126 Ca 0.25 -0.96 0.10 0.00 0.45 0.00 0.00 54.58 54.42 1ubt n ASN 126 Cb 1.03 -3.60 0.72 0.00 1.23 0.00 0.00 39.78 39.16 1ubt n ASN 126 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ubt h PRO 127 N -1.73 0.00 -0.56 1.20 0.13 -1.83 -2.10 132.00 127.10 1ubt h PRO 127 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1ubt h PRO 127 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ubt h PRO 127 CO 0.47 0.01 0.00 0.25 -0.23 0.00 0.00 178.00 178.50 1ubt n THR 128 N -4.32 0.74 -3.59 1.56 -2.24 -1.26 -4.89 114.28 100.28 1ubt n THR 128 Ca -0.03 -0.84 -0.23 0.00 -2.27 0.00 0.00 64.05 60.68 1ubt n THR 128 Cb 0.09 0.67 0.08 0.00 -2.10 0.00 0.00 70.33 69.06 1ubt n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubt n GLY 129 N 1.56 -0.49 3.75 3.38 0.00 -0.79 -1.27 105.19 111.33 1ubt n GLY 129 Ca 0.22 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 1ubt n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubt s ALA 130 N -3.34 3.45 0.07 4.61 0.00 -1.26 -0.82 121.76 124.48 1ubt s ALA 130 Ca 0.43 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.47 1ubt s ALA 130 Cb -0.19 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1ubt s ALA 130 CO 0.74 -0.39 -0.12 0.15 0.00 0.00 0.00 175.76 176.15 1ubt s LYS 131 N -1.07 0.77 0.96 0.00 1.02 -0.12 -4.67 119.74 116.62 1ubt s LYS 131 Ca 0.49 -0.97 -0.11 0.00 0.02 0.00 0.00 55.97 55.39 1ubt s LYS 131 Cb -0.35 -0.64 0.17 0.00 -0.52 0.00 0.00 37.83 36.49 1ubt s LYS 131 CO 0.43 0.13 1.09 0.20 -0.92 0.00 0.00 175.35 176.28 1ubt s GLY 132 N -1.91 1.62 0.09 -3.33 0.00 -1.26 -0.74 107.32 101.80 1ubt s GLY 132 Ca -0.01 0.14 -0.22 0.00 0.00 0.00 0.00 44.72 44.62 1ubt s GLY 132 CO 0.01 0.65 1.71 -2.08 0.00 0.00 0.00 173.10 173.39 1ubt h VAL 133 N -1.87 1.06 -0.18 1.40 2.07 -1.09 -0.38 116.25 117.26 1ubt h VAL 133 Ca -0.50 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1ubt h VAL 133 Cb 1.29 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1ubt h VAL 133 CO 0.49 0.05 -0.30 0.78 0.02 0.00 0.00 177.57 178.61 1ubt h ASN 134 N 0.08 0.35 -0.04 0.57 2.35 -1.81 0.39 115.58 117.47 1ubt h ASN 134 Ca 0.03 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1ubt h ASN 134 Cb 0.04 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1ubt h ASN 134 CO -0.01 0.65 -0.01 -0.78 -1.65 0.00 0.00 177.43 175.63 1ubt h ASP 135 N 0.31 0.08 -0.88 5.81 3.58 -1.83 -1.26 116.42 122.23 1ubt h ASP 135 Ca 0.04 -0.39 0.04 0.00 0.42 0.00 0.00 57.03 57.14 1ubt h ASP 135 Cb 0.69 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.67 1ubt h ASP 135 CO 0.05 0.45 0.58 0.00 -2.88 0.00 0.00 179.24 177.44 1ubt h ALA 136 N 0.63 1.46 -0.17 -0.78 0.00 -0.86 -3.24 119.26 116.30 1ubt h ALA 136 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ubt h ALA 136 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ubt h ALA 136 CO 0.00 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1ubt n LEU 137 N -4.45 3.27 -0.27 0.00 4.77 0.11 -4.69 117.00 115.74 1ubt n LEU 137 Ca 0.12 -2.95 0.07 0.00 -0.03 0.00 0.00 56.01 53.21 1ubt n LEU 137 Cb 0.11 -0.47 0.18 0.00 -2.33 0.00 0.00 43.42 40.91 1ubt n LEU 137 CO 0.35 0.68 0.83 0.11 -1.33 0.00 0.00 177.39 178.03 1ubt h LYS 138 N 1.17 0.10 0.00 3.23 1.57 -1.25 -0.25 116.57 121.14 1ubt h LYS 138 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ubt h LYS 138 Cb 1.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1ubt h LYS 138 CO 0.13 0.06 0.00 1.12 -0.57 0.00 0.00 179.45 180.20 1ubt h HIS 139 N 0.10 0.00 -0.42 -1.35 2.07 -1.87 -1.92 115.15 111.76 1ubt h HIS 139 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 1ubt h HIS 139 Cb 0.81 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.79 1ubt h HIS 139 CO -0.43 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 175.71 1ubt n LEU 140 N -2.51 3.47 0.00 6.12 4.77 -0.11 -4.95 117.00 123.79 1ubt n LEU 140 Ca 0.01 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 1ubt n LEU 140 Cb 0.22 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1ubt n LEU 140 CO 0.21 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1ubt n GLY 141 N 1.52 0.56 3.71 -0.72 0.00 -0.72 -4.90 105.19 104.64 1ubt n GLY 141 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1ubt n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubt s VAL 142 N -2.27 3.63 -0.49 1.61 1.01 -1.19 -4.97 120.40 117.73 1ubt s VAL 142 Ca 0.00 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.14 1ubt s VAL 142 Cb 0.00 -3.72 0.15 0.00 0.00 0.00 0.00 36.38 32.80 1ubt s VAL 142 CO 0.00 0.06 0.31 -0.54 0.00 0.00 0.00 175.10 174.93 1ubt s LYS 143 N 1.51 1.51 0.27 2.72 -0.14 -1.26 -4.60 119.74 119.76 1ubt s LYS 143 Ca 0.63 -2.33 -0.29 0.00 -1.36 0.00 0.00 55.97 52.61 1ubt s LYS 143 Cb -0.33 -2.48 -0.09 0.00 -1.68 0.00 0.00 37.83 33.24 1ubt s LYS 143 CO 0.29 -1.22 1.04 0.00 -0.76 0.00 0.00 175.35 174.70 1ubt s ALA 144 N -0.10 3.38 0.15 5.17 0.00 -1.26 -4.69 121.76 124.40 1ubt s ALA 144 Ca 0.21 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 1ubt s ALA 144 Cb -0.16 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1ubt s ALA 144 CO -0.06 -0.04 1.47 0.42 0.00 0.00 0.00 175.76 177.55 1ubt s ILE 145 N -1.18 2.96 -0.31 0.00 1.01 -0.04 -4.75 121.20 118.89 1ubt s ILE 145 Ca 0.44 0.70 -0.12 0.00 0.00 0.00 0.00 60.65 61.66 1ubt s ILE 145 Cb -0.30 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1ubt s ILE 145 CO 0.38 0.06 0.24 0.20 0.00 0.00 0.00 174.94 175.82 1ubt s ASN 146 N 1.05 6.07 -0.44 3.58 0.01 0.06 -0.29 114.94 124.98 1ubt s ASN 146 Ca 0.66 -0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 52.60 1ubt s ASN 146 Cb -0.40 -2.14 0.12 0.00 0.41 0.00 0.00 41.25 39.23 1ubt s ASN 146 CO 0.32 -0.16 0.27 -0.63 -1.51 0.00 0.00 177.10 175.38 1ubt s ILE 147 N 1.80 3.68 0.50 0.60 1.01 -0.00 -3.96 121.20 124.82 1ubt s ILE 147 Ca 0.08 -1.97 -0.02 0.00 0.00 0.00 0.00 60.65 58.73 1ubt s ILE 147 Cb -0.17 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 1ubt s ILE 147 CO 0.11 -0.73 0.75 0.00 0.00 0.00 0.00 174.94 175.07 1ubt s ALA 148 N 1.20 3.57 0.00 9.38 0.00 -1.26 -0.73 121.76 133.92 1ubt s ALA 148 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1ubt s ALA 148 Cb -0.24 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1ubt s ALA 148 CO -0.03 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1ubt n GLY 149 N -2.25 3.84 2.35 0.00 0.00 -1.24 -4.34 105.19 103.55 1ubt n GLY 149 Ca 0.02 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 1ubt n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubt s PRO 151 N -1.24 2.40 1.01 0.00 0.04 -1.26 -5.08 135.00 130.87 1ubt s PRO 151 Ca 0.35 -0.39 -0.12 0.00 0.04 0.00 0.00 61.00 60.88 1ubt s PRO 151 Cb 0.12 -2.28 0.19 0.00 0.04 0.00 0.00 34.50 32.57 1ubt s PRO 151 CO -0.11 -1.00 1.08 -2.14 0.04 0.00 0.00 177.00 174.87 1ubt s PRO 152 N -5.06 0.35 -0.01 0.56 0.02 -1.12 -4.97 135.00 124.78 1ubt s PRO 152 Ca 0.58 0.87 -0.30 0.00 0.02 0.00 0.00 61.00 62.17 1ubt s PRO 152 Cb -0.11 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 1ubt s PRO 152 CO 0.43 -2.87 1.44 1.21 -0.33 0.00 0.00 177.00 176.87 1ubt s ASN 153 N -3.04 6.82 0.62 2.53 3.84 -1.26 -4.90 114.94 119.56 1ubt s ASN 153 Ca 0.66 2.13 0.41 0.00 0.21 0.00 0.00 52.86 56.27 1ubt s ASN 153 Cb -0.21 -2.56 2.04 0.00 -0.55 0.00 0.00 41.25 39.97 1ubt s ASN 153 CO 0.60 -0.75 2.23 1.55 -2.79 0.00 0.00 177.10 177.94 1ubt h PRO 154 N 8.03 0.00 -0.81 0.43 0.13 -1.94 0.37 132.00 138.22 1ubt h PRO 154 Ca -0.38 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.89 1ubt h PRO 154 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1ubt h PRO 154 CO 0.91 0.00 0.53 -0.92 -0.23 0.00 0.00 178.00 178.29 1ubt h TYR 155 N 0.00 0.65 0.00 1.56 3.20 -1.93 -1.43 116.97 119.02 1ubt h TYR 155 Ca -0.00 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 1ubt h TYR 155 Cb 0.19 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1ubt h TYR 155 CO 0.00 0.26 -0.83 -0.91 -1.64 0.00 0.00 178.16 175.03 1ubt h ASN 156 N 0.56 0.06 0.04 -2.11 2.35 -1.30 0.65 115.58 115.83 1ubt h ASN 156 Ca 0.40 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1ubt h ASN 156 Cb 0.73 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1ubt h ASN 156 CO -0.15 0.86 -0.02 0.25 -1.65 0.00 0.00 177.43 176.72 1ubt h LEU 157 N 0.02 -0.04 -0.56 1.61 5.85 -1.44 -2.31 115.31 118.43 1ubt h LEU 157 Ca -0.02 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1ubt h LEU 157 Cb 1.46 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 1ubt h LEU 157 CO 0.11 0.43 0.03 0.58 -0.34 0.00 0.00 178.44 179.25 1ubt h VAL 158 N -0.53 1.26 -0.87 1.05 2.07 -1.29 -0.28 116.25 117.66 1ubt h VAL 158 Ca -0.01 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1ubt h VAL 158 Cb 0.48 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1ubt h VAL 158 CO 0.01 0.39 0.57 1.23 0.02 0.00 0.00 177.57 179.79 1ubt h GLY 159 N 0.86 1.24 0.80 2.17 0.00 -0.92 -0.22 103.07 107.01 1ubt h GLY 159 Ca 0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1ubt h GLY 159 CO 0.02 0.35 -0.26 -0.84 0.00 0.00 0.00 176.54 175.82 1ubt h THR 160 N 1.06 1.35 -0.51 4.70 2.02 -0.87 -1.90 112.91 118.78 1ubt h THR 160 Ca 0.35 -1.49 0.03 0.00 0.77 0.00 0.00 66.41 66.07 1ubt h THR 160 Cb 0.06 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1ubt h THR 160 CO -0.11 0.45 0.28 0.40 0.37 0.00 0.00 175.52 176.91 1ubt h ILE 161 N 0.08 1.02 -0.70 3.11 2.04 -0.79 -0.81 117.51 121.46 1ubt h ILE 161 Ca 0.01 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1ubt h ILE 161 Cb 0.84 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1ubt h ILE 161 CO 0.06 0.10 0.14 0.58 0.00 0.00 0.00 178.15 179.03 1ubt h VAL 162 N 0.56 1.26 -0.25 1.67 2.07 -1.03 0.11 116.25 120.65 1ubt h VAL 162 Ca 0.21 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1ubt h VAL 162 Cb 0.06 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1ubt h VAL 162 CO -0.12 0.38 0.16 0.22 0.02 0.00 0.00 177.57 178.24 1ubt h TYR 163 N 1.06 0.31 -0.64 1.57 5.03 -1.01 -0.94 116.97 122.36 1ubt h TYR 163 Ca 0.22 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.55 1ubt h TYR 163 Cb 0.41 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.55 1ubt h TYR 163 CO 0.03 0.20 0.41 -0.92 -1.32 0.00 0.00 178.16 176.56 1ubt h TYR 164 N 0.34 0.78 -0.05 -3.82 3.20 -0.49 0.19 116.97 117.12 1ubt h TYR 164 Ca 0.09 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 1ubt h TYR 164 Cb -0.04 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 1ubt h TYR 164 CO -0.06 0.47 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.47 1ubt h LEU 165 N 0.83 0.11 0.03 2.82 3.38 -0.42 0.33 115.31 122.39 1ubt h LEU 165 Ca 0.24 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1ubt h LEU 165 Cb -0.05 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ubt h LEU 165 CO -0.07 0.49 -0.39 0.50 0.09 0.00 0.00 178.44 179.06 1ubt h LYS 166 N 0.09 0.21 -0.01 1.13 3.64 -0.69 -3.38 116.57 117.56 1ubt h LYS 166 Ca 0.01 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1ubt h LYS 166 Cb 0.74 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1ubt h LYS 166 CO 0.06 1.03 -0.77 0.09 -2.27 0.00 0.00 179.45 177.59 1ubt n ASN 167 N -4.39 1.39 -1.12 4.20 3.02 0.63 -4.96 115.26 114.03 1ubt n ASN 167 Ca -0.11 -1.20 -0.12 0.00 -0.03 0.00 0.00 54.58 53.13 1ubt n ASN 167 Cb 0.60 0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 40.53 1ubt n ASN 167 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ubt n LYS 168 N -0.89 -0.88 -3.52 3.52 4.01 0.11 -4.95 118.16 115.56 1ubt n LYS 168 Ca 0.06 0.74 -0.09 0.00 -0.51 0.00 0.00 58.31 58.51 1ubt n LYS 168 Cb 0.38 -4.81 -0.02 0.00 -0.51 0.00 0.00 35.03 30.07 1ubt n LYS 168 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ubt s ALA 169 N -2.51 -1.68 0.58 7.82 0.00 -1.24 -5.08 121.76 119.66 1ubt s ALA 169 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 1ubt s ALA 169 Cb 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1ubt s ALA 169 CO 0.00 -0.78 1.13 0.00 0.00 0.00 0.00 175.76 176.11 1ubt s ALA 170 N -3.43 2.60 1.03 0.00 0.00 -1.26 -4.09 121.76 116.62 1ubt s ALA 170 Ca 0.05 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 1ubt s ALA 170 Cb -0.01 -3.36 0.21 0.00 0.00 0.00 0.00 23.12 19.96 1ubt s ALA 170 CO -0.08 -0.98 1.19 -1.25 0.00 0.00 0.00 175.76 174.64 1ubt s PRO 171 N -3.53 0.16 0.14 0.00 0.04 -1.26 -4.95 135.00 125.60 1ubt s PRO 171 Ca 0.72 -0.07 -0.35 0.00 0.04 0.00 0.00 61.00 61.34 1ubt s PRO 171 Cb -0.24 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 1ubt s PRO 171 CO 0.32 -2.79 1.50 -1.91 0.04 0.00 0.00 177.00 174.15 1ubt n GLU 172 N -4.11 1.85 -4.48 4.56 2.13 -1.26 -4.91 120.64 114.41 1ubt n GLU 172 Ca 0.12 0.67 -0.30 0.00 0.66 0.00 0.00 57.16 58.30 1ubt n GLU 172 Cb 0.59 -2.39 -0.12 0.00 0.27 0.00 0.00 31.44 29.79 1ubt n GLU 172 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ubt s LEU 173 N 0.75 2.70 0.00 4.31 1.02 -1.26 -1.18 118.68 125.03 1ubt s LEU 173 Ca 0.80 -0.46 -0.06 0.00 0.02 0.00 0.00 54.13 54.44 1ubt s LEU 173 Cb -0.76 -1.57 0.09 0.00 0.02 0.00 0.00 46.19 43.97 1ubt s LEU 173 CO 0.41 0.22 0.53 -0.90 0.02 0.00 0.00 176.35 176.64 1ubt n ASP 174 N 1.21 0.15 0.00 2.29 5.68 0.58 -4.83 116.55 121.62 1ubt n ASP 174 Ca -0.16 -1.26 0.10 0.00 -0.50 0.00 0.00 54.79 52.97 1ubt n ASP 174 Cb 0.52 -0.40 0.44 0.00 -1.14 0.00 0.00 41.12 40.55 1ubt n ASP 174 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1ubt n SER 175 N -3.28 0.00 -1.58 -1.12 3.41 -1.26 -0.65 113.62 109.14 1ubt n SER 175 Ca 0.07 0.34 0.09 0.00 -0.26 0.00 0.00 58.87 59.11 1ubt n SER 175 Cb 0.25 -0.43 0.36 0.00 -0.26 0.00 0.00 64.21 64.12 1ubt n SER 175 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ubt n LEU 176 N -1.43 4.87 -1.49 1.04 4.32 -1.26 -4.94 117.00 118.11 1ubt n LEU 176 Ca 0.06 -2.57 -0.16 0.00 -0.02 0.00 0.00 56.01 53.33 1ubt n LEU 176 Cb 0.21 -0.59 -0.04 0.00 -1.62 0.00 0.00 43.42 41.38 1ubt n LEU 176 CO 0.17 0.77 -0.17 -3.20 -1.22 0.00 0.00 177.39 173.74 1ubt n ASN 177 N 0.92 -4.77 -4.85 -1.43 5.15 0.18 -4.64 115.26 105.81 1ubt n ASN 177 Ca 0.26 0.18 -0.37 0.00 -0.60 0.00 0.00 54.58 54.04 1ubt n ASN 177 Cb 0.94 -3.77 -0.06 0.00 -0.53 0.00 0.00 39.78 36.36 1ubt n ASN 177 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1ubt s ARG 178 N -4.06 3.70 0.14 1.20 0.52 -1.25 -0.76 118.95 118.44 1ubt s ARG 178 Ca 0.00 0.13 -0.31 0.00 -0.52 0.00 0.00 55.73 55.03 1ubt s ARG 178 Cb 0.00 -3.22 -0.11 0.00 0.52 0.00 0.00 34.95 32.14 1ubt s ARG 178 CO 0.00 0.71 1.81 -2.30 0.02 0.00 0.00 175.30 175.55 1ubt n PRO 179 N 1.98 2.79 0.30 3.54 -0.02 -1.26 -0.31 135.00 142.02 1ubt n PRO 179 Ca -0.17 1.01 0.19 0.00 -2.02 0.00 0.00 63.50 62.52 1ubt n PRO 179 Cb 0.54 -2.90 0.88 0.00 -0.02 0.00 0.00 33.50 31.99 1ubt n PRO 179 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ubt h THR 180 N 4.47 0.04 0.00 3.45 1.35 -1.47 -0.81 112.91 119.93 1ubt h THR 180 Ca -0.46 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1ubt h THR 180 Cb 1.22 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1ubt h THR 180 CO 0.95 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 176.23 1ubt h MET 181 N 0.00 0.00 0.00 4.72 -0.00 -1.89 -1.94 114.93 115.83 1ubt h MET 181 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 1ubt h MET 181 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.92 1ubt h MET 181 CO 0.00 0.00 -1.20 1.19 -0.00 0.00 0.00 176.91 176.91 1ubt n PHE 182 N -2.73 0.00 -0.76 -0.10 3.72 -0.81 -4.75 117.46 112.03 1ubt n PHE 182 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1ubt n PHE 182 Cb 0.22 -0.14 0.19 0.00 -0.94 0.00 0.00 39.48 38.80 1ubt n PHE 182 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1ubt n PHE 183 N -2.06 0.54 1.35 1.38 3.72 -0.38 -3.34 117.46 118.67 1ubt n PHE 183 Ca -0.04 -0.80 0.15 0.00 -0.05 0.00 0.00 57.45 56.70 1ubt n PHE 183 Cb 0.55 -0.20 0.70 0.00 -0.94 0.00 0.00 39.48 39.59 1ubt n PHE 183 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubt n GLY 184 N -0.53 -1.26 3.24 1.37 0.00 -0.73 -4.59 105.19 102.69 1ubt n GLY 184 Ca 0.16 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1ubt n GLY 184 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ubt s GLN 185 N -2.63 1.18 0.63 1.61 -0.21 -1.26 -5.08 119.66 113.90 1ubt s GLN 185 Ca 0.26 -0.99 -0.17 0.00 0.02 0.00 0.00 55.36 54.47 1ubt s GLN 185 Cb 0.20 -1.33 -0.02 0.00 1.00 0.00 0.00 33.01 32.86 1ubt s GLN 185 CO 0.48 0.33 1.15 0.95 -2.12 0.00 0.00 175.29 176.08 1ubt s THR 186 N -0.97 2.92 0.37 -0.19 -4.23 -1.26 -2.62 115.64 109.67 1ubt s THR 186 Ca 0.06 0.50 0.09 0.00 -1.18 0.00 0.00 61.69 61.16 1ubt s THR 186 Cb -0.09 -3.10 0.14 0.00 1.34 0.00 0.00 72.50 70.79 1ubt s THR 186 CO 0.03 -0.19 1.88 -0.37 -0.54 0.00 0.00 174.62 175.42 1ubt h VAL 187 N 0.47 1.20 -0.91 2.29 -1.51 -0.53 -3.03 116.25 114.23 1ubt h VAL 187 Ca -0.49 -0.92 -0.02 0.00 -1.23 0.00 0.00 66.70 64.04 1ubt h VAL 187 Cb 1.27 1.31 -0.04 0.00 -2.13 0.00 0.00 31.29 31.70 1ubt h VAL 187 CO 0.54 0.28 0.50 -0.74 -1.23 0.00 0.00 177.57 176.93 1ubt h HIS 188 N 0.21 1.24 0.00 5.19 -0.00 -1.68 -1.68 115.15 118.42 1ubt h HIS 188 Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1ubt h HIS 188 Cb 0.46 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1ubt h HIS 188 CO 0.01 0.85 0.00 1.05 -0.00 0.00 0.00 177.93 179.84 1ubt h GLU 189 N 1.27 0.00 -0.10 5.26 4.11 -1.82 -1.75 114.58 121.54 1ubt h GLU 189 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1ubt h GLU 189 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ubt h GLU 189 CO -0.05 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.07 1ubt n GLN 190 N -2.75 2.32 -2.89 1.06 6.02 -0.67 -5.00 117.38 115.48 1ubt n GLN 190 Ca 0.00 -1.94 -0.40 0.00 -0.01 0.00 0.00 57.00 54.66 1ubt n GLN 190 Cb 0.21 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 1ubt n GLN 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ubt h PRO 192 N 4.31 0.00 -0.06 0.00 0.11 -1.92 -2.42 132.00 132.01 1ubt h PRO 192 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ubt h PRO 192 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ubt h PRO 192 CO 0.67 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.00 1ubt n ARG 193 N -2.63 1.69 -0.30 1.05 1.74 -1.26 -4.38 116.66 112.56 1ubt n ARG 193 Ca -0.01 -1.01 0.07 0.00 -0.77 0.00 0.00 57.85 56.13 1ubt n ARG 193 Cb 0.13 -1.46 0.23 0.00 -1.02 0.00 0.00 32.46 30.35 1ubt n ARG 193 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ubt h LEU 194 N 2.33 0.55 -1.55 0.55 5.85 -1.73 0.80 115.31 122.10 1ubt h LEU 194 Ca 0.00 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1ubt h LEU 194 Cb 0.50 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1ubt h LEU 194 CO 0.00 0.23 0.40 -0.65 -0.34 0.00 0.00 178.44 178.07 1ubt h PRO 195 N 0.64 0.52 -0.26 5.25 0.11 -1.85 0.84 132.00 137.26 1ubt h PRO 195 Ca 0.47 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.42 1ubt h PRO 195 Cb 0.66 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 1ubt h PRO 195 CO -0.36 0.35 -0.32 0.45 -0.21 0.00 0.00 178.00 177.90 1ubt h HIS 196 N 0.54 0.82 -0.36 0.65 3.86 -1.16 -2.37 115.15 117.13 1ubt h HIS 196 Ca 0.26 -0.26 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 1ubt h HIS 196 Cb 0.33 -0.17 -0.08 0.00 1.06 0.00 0.00 27.41 28.56 1ubt h HIS 196 CO -0.00 1.01 -0.22 0.35 0.86 0.00 0.00 177.93 179.93 1ubt h PHE 197 N 0.40 -0.58 -0.89 2.45 3.04 -0.92 0.93 116.94 121.37 1ubt h PHE 197 Ca 0.03 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.12 1ubt h PHE 197 Cb 0.90 0.31 -0.06 0.00 2.56 0.00 0.00 35.95 39.66 1ubt h PHE 197 CO 0.08 -0.30 0.58 -0.44 -2.02 0.00 0.00 178.31 176.20 1ubt h ASP 198 N -0.17 0.80 -0.02 0.41 5.19 -0.80 -0.81 116.42 121.03 1ubt h ASP 198 Ca 0.18 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1ubt h ASP 198 Cb 0.45 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1ubt h ASP 198 CO -0.46 0.48 0.00 0.00 -3.12 0.00 0.00 179.24 176.14 1ubt n ALA 199 N -2.41 2.63 -2.25 3.45 0.00 -0.83 -4.91 120.51 116.19 1ubt n ALA 199 Ca 0.15 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1ubt n ALA 199 Cb 0.30 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 1ubt n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubt n GLY 200 N 1.06 -0.17 3.32 0.00 0.00 -0.31 -4.96 105.19 104.13 1ubt n GLY 200 Ca 0.21 -0.32 -0.46 0.00 0.00 0.00 0.00 46.02 45.44 1ubt n GLY 200 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubt s GLU 201 N -4.66 3.34 -0.07 1.61 2.02 0.20 -5.02 118.70 116.13 1ubt s GLU 201 Ca 0.00 -2.16 0.03 0.00 0.02 0.00 0.00 54.97 52.86 1ubt s GLU 201 Cb 0.00 -4.37 -0.02 0.00 0.10 0.00 0.00 34.13 29.84 1ubt s GLU 201 CO 0.00 -1.30 -0.15 -0.06 0.02 0.00 0.00 175.26 173.77 1ubt s PHE 202 N 0.75 2.71 0.09 1.61 0.08 -1.26 -1.94 117.98 120.01 1ubt s PHE 202 Ca 0.12 -0.30 -0.31 0.00 0.12 0.00 0.00 56.93 56.56 1ubt s PHE 202 Cb -0.18 -1.67 -0.07 0.00 -0.57 0.00 0.00 43.02 40.52 1ubt s PHE 202 CO -0.04 0.08 1.36 0.00 -0.10 0.00 0.00 175.22 176.52 1ubt s ALA 203 N -0.46 3.56 -0.73 5.36 0.00 -0.24 -4.87 121.76 124.37 1ubt s ALA 203 Ca 0.06 1.05 0.25 0.00 0.00 0.00 0.00 51.96 53.32 1ubt s ALA 203 Cb -0.12 -3.53 0.63 0.00 0.00 0.00 0.00 23.12 20.10 1ubt s ALA 203 CO 0.02 -0.62 1.58 -0.35 0.00 0.00 0.00 175.76 176.38 1ubt n PRO 204 N 4.13 0.24 -3.54 0.00 -0.04 -1.26 -4.40 135.00 130.13 1ubt n PRO 204 Ca 0.11 0.13 -0.09 0.00 -0.04 0.00 0.00 63.50 63.61 1ubt n PRO 204 Cb 0.43 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 1ubt n PRO 204 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ubt s SER 205 N -4.20 -0.41 0.36 3.54 1.04 -1.26 -4.94 113.70 107.83 1ubt s SER 205 Ca 0.09 -0.12 0.18 0.00 0.48 0.00 0.00 55.95 56.59 1ubt s SER 205 Cb 0.14 0.52 0.60 0.00 0.10 0.00 0.00 66.02 67.38 1ubt s SER 205 CO 0.65 -0.88 1.70 -0.26 0.98 0.00 0.00 173.24 175.42 1ubt h PHE 206 N 2.00 0.00 -0.00 5.02 0.04 -1.98 -2.99 116.94 119.03 1ubt h PHE 206 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1ubt h PHE 206 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1ubt h PHE 206 CO 0.28 0.39 -0.12 -0.85 -0.60 0.00 0.00 178.31 177.41 1ubt n GLU 207 N -3.49 0.38 -1.53 1.51 0.00 -1.26 -4.69 120.64 111.56 1ubt n GLU 207 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 57.16 56.74 1ubt n GLU 207 Cb 0.54 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.55 1ubt n GLU 207 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1ubt s SER 208 N -2.69 4.77 0.40 -1.84 1.04 -1.13 -4.88 113.70 109.37 1ubt s SER 208 Ca 0.23 1.97 0.10 0.00 0.48 0.00 0.00 55.95 58.73 1ubt s SER 208 Cb 0.19 -2.54 0.84 0.00 0.10 0.00 0.00 66.02 64.61 1ubt s SER 208 CO 0.52 -1.86 1.95 -0.33 0.98 0.00 0.00 173.24 174.50 1ubt h GLU 209 N -0.45 0.25 -0.61 4.02 4.39 -1.92 -1.64 114.58 118.62 1ubt h GLU 209 Ca -0.46 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 1ubt h GLU 209 Cb 1.25 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 1ubt h GLU 209 CO 0.52 0.34 0.35 0.93 -1.16 0.00 0.00 179.01 179.99 1ubt h GLU 210 N 0.24 0.84 -0.44 2.33 3.07 -1.91 -0.26 114.58 118.45 1ubt h GLU 210 Ca 0.05 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1ubt h GLU 210 Cb 0.29 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1ubt h GLU 210 CO 0.01 0.62 0.23 0.00 -1.40 0.00 0.00 179.01 178.47 1ubt h ALA 211 N 1.17 0.56 -0.85 3.43 0.00 -1.67 -0.83 119.26 121.06 1ubt h ALA 211 Ca 0.22 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1ubt h ALA 211 Cb 0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 1ubt h ALA 211 CO -0.04 0.10 0.47 -0.09 0.00 0.00 0.00 179.25 179.70 1ubt h ARG 212 N 0.57 0.71 0.00 0.00 2.43 -0.88 -0.81 114.38 116.39 1ubt h ARG 212 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1ubt h ARG 212 Cb 0.08 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1ubt h ARG 212 CO -0.02 0.47 0.00 1.63 -1.51 0.00 0.00 179.97 180.54 1ubt n LYS 213 N -4.79 0.87 -1.20 0.20 5.02 -0.14 -4.91 118.16 113.21 1ubt n LYS 213 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1ubt n LYS 213 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1ubt n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ubt n GLY 214 N 0.86 0.58 3.66 0.72 0.00 -0.31 -5.05 105.19 105.65 1ubt n GLY 214 Ca 0.21 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1ubt n GLY 214 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ubt s TRP 215 N -2.00 2.01 0.45 1.61 0.52 -0.37 -4.86 118.94 116.31 1ubt s TRP 215 Ca 0.00 1.23 -0.25 0.00 0.02 0.00 0.00 56.10 57.10 1ubt s TRP 215 Cb 0.00 -3.19 -0.08 0.00 -1.15 0.00 0.00 33.47 29.06 1ubt s TRP 215 CO 0.00 -2.84 1.34 0.00 0.02 0.00 0.00 176.95 175.47 1ubt n LEU 217 N -0.24 3.83 -0.27 0.00 4.77 -1.26 -1.08 117.00 122.76 1ubt n LEU 217 Ca 0.06 -1.93 -0.05 0.00 -0.03 0.00 0.00 56.01 54.06 1ubt n LEU 217 Cb 0.44 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1ubt n LEU 217 CO 0.55 0.76 1.17 0.22 -1.33 0.00 0.00 177.39 178.77 1ubt h TYR 218 N 3.59 0.94 0.00 -1.77 5.03 -1.91 -1.20 116.97 121.65 1ubt h TYR 218 Ca 0.00 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1ubt h TYR 218 Cb 1.10 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 39.07 1ubt h TYR 218 CO 0.57 0.61 -0.01 1.49 -1.32 0.00 0.00 178.16 179.49 1ubt h GLU 219 N 1.00 0.00 -0.49 1.82 4.81 -1.82 -1.29 114.58 118.62 1ubt h GLU 219 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1ubt h GLU 219 Cb -0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1ubt h GLU 219 CO -0.06 0.01 0.00 1.28 -0.73 0.00 0.00 179.01 179.52 1ubt n LEU 220 N -3.11 2.44 0.00 1.64 4.32 -0.51 -4.57 117.00 117.21 1ubt n LEU 220 Ca 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 56.01 54.77 1ubt n LEU 220 Cb 0.28 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1ubt n LEU 220 CO 0.27 0.51 0.00 0.61 -1.22 0.00 0.00 177.39 177.55 1ubt n GLY 221 N 0.93 0.74 3.67 -0.72 0.00 -0.49 -4.33 105.19 105.00 1ubt n GLY 221 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 1ubt n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubt n LYS 223 N 3.81 2.82 -0.29 0.00 4.76 -0.09 -4.54 118.16 124.63 1ubt n LYS 223 Ca 0.17 -2.56 0.12 0.00 -2.87 0.00 0.00 58.31 53.17 1ubt n LYS 223 Cb 0.29 -1.61 0.27 0.00 -1.84 0.00 0.00 35.03 32.14 1ubt n LYS 223 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1ubt h GLY 224 N 4.44 1.26 2.00 0.72 0.00 -1.90 -1.28 103.07 108.31 1ubt h GLY 224 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ubt h GLY 224 CO 0.05 -0.37 0.00 -2.55 0.00 0.00 0.00 176.54 173.67 1ubt h PRO 225 N 0.17 0.00 -0.05 4.80 0.11 -1.95 -2.43 132.00 132.66 1ubt h PRO 225 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1ubt h PRO 225 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ubt h PRO 225 CO -0.68 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.44 1ubt n VAL 226 N -3.08 1.74 -4.84 3.15 0.24 -0.50 -4.92 118.33 110.12 1ubt n VAL 226 Ca -0.02 -1.93 -0.29 0.00 -2.04 0.00 0.00 64.34 60.06 1ubt n VAL 226 Cb 0.11 -0.07 -0.17 0.00 -1.47 0.00 0.00 33.84 32.24 1ubt n VAL 226 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ubt s THR 227 N -2.44 1.68 -0.29 3.34 2.01 -1.11 -4.99 115.64 113.85 1ubt s THR 227 Ca 0.27 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1ubt s THR 227 Cb 0.23 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1ubt s THR 227 CO 0.04 0.48 0.19 -0.04 -0.69 0.00 0.00 174.62 174.59 1ubt s MET 228 N 0.60 3.83 0.05 4.92 1.00 -1.26 -0.09 119.30 128.35 1ubt s MET 228 Ca -0.14 -0.40 -0.28 0.00 0.00 0.00 0.00 55.69 54.87 1ubt s MET 228 Cb -0.17 -3.66 0.09 0.00 0.00 0.00 0.00 34.83 31.10 1ubt s MET 228 CO 0.04 -0.23 1.09 1.21 0.00 0.00 0.00 175.02 177.13 1ubt s ASN 229 N 1.74 -0.15 -0.28 3.03 3.04 -1.08 -4.79 114.94 116.45 1ubt s ASN 229 Ca 0.07 -0.23 0.11 0.00 0.04 0.00 0.00 52.86 52.85 1ubt s ASN 229 Cb -0.16 0.33 0.56 0.00 -1.54 0.00 0.00 41.25 40.44 1ubt s ASN 229 CO 0.10 -0.60 1.54 -0.46 -3.04 0.00 0.00 177.10 174.65 1ubt n ASN 230 N -0.42 3.30 -0.14 -4.21 2.04 -1.21 -4.05 115.26 110.56 1ubt n ASN 230 Ca -0.07 -3.48 -0.03 0.00 -0.44 0.00 0.00 54.58 50.56 1ubt n ASN 230 Cb 0.61 -0.65 0.05 0.00 -2.53 0.00 0.00 39.78 37.27 1ubt n ASN 230 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ubt h PRO 232 N 0.24 0.00 0.00 0.00 0.11 -1.87 0.32 132.00 130.79 1ubt h PRO 232 Ca 0.22 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 1ubt h PRO 232 Cb 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1ubt h PRO 232 CO -0.28 0.01 -0.46 -0.22 -0.21 0.00 0.00 178.00 176.84 1ubt h LYS 233 N 0.00 0.00 0.04 1.05 3.64 -1.64 -3.40 116.57 116.26 1ubt h LYS 233 Ca -0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1ubt h LYS 233 Cb 0.49 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1ubt h LYS 233 CO 0.00 0.46 -1.62 0.82 -2.27 0.00 0.00 179.45 176.84 1ubt h ILE 234 N -1.00 0.99 -2.80 2.00 1.08 -1.41 -3.51 117.51 112.86 1ubt h ILE 234 Ca -0.09 -2.76 0.31 0.00 -0.39 0.00 0.00 64.86 61.92 1ubt h ILE 234 Cb 0.68 2.56 -0.08 0.00 -3.07 0.00 0.00 36.82 36.91 1ubt h ILE 234 CO -0.05 0.68 -0.40 0.29 -0.69 0.00 0.00 178.15 177.98 1ubt n LYS 235 N -3.24 -2.26 -5.10 2.37 5.02 0.10 -4.70 118.16 110.36 1ubt n LYS 235 Ca -0.17 1.49 -0.31 0.00 -2.02 0.00 0.00 58.31 57.30 1ubt n LYS 235 Cb 1.03 -2.75 -0.15 0.00 -0.02 0.00 0.00 35.03 33.14 1ubt n LYS 235 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ubt s PHE 236 N -1.78 2.39 -1.75 2.13 0.08 0.57 -4.67 117.98 114.96 1ubt s PHE 236 Ca 0.00 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1ubt s PHE 236 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1ubt s PHE 236 CO 0.00 0.06 0.00 0.09 -0.10 0.00 0.00 175.22 175.27 1ubt n ASN 237 N 2.17 -5.33 -1.40 1.36 4.13 -1.26 -0.94 115.26 113.98 1ubt n ASN 237 Ca -0.16 0.17 -0.17 0.00 1.68 0.00 0.00 54.58 56.10 1ubt n ASN 237 Cb 0.51 -4.54 -0.06 0.00 -1.54 0.00 0.00 39.78 34.16 1ubt n ASN 237 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ubt n GLN 238 N -2.74 -1.19 0.00 3.52 3.00 -1.26 -4.74 117.38 113.96 1ubt n GLN 238 Ca -0.21 1.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1ubt n GLN 238 Cb 0.66 -5.28 0.00 0.00 0.00 0.00 0.00 30.24 25.62 1ubt n GLN 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1ubt n THR 239 N -2.82 0.00 -3.90 5.09 5.66 -0.12 -5.11 114.28 113.08 1ubt n THR 239 Ca -0.17 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.74 1ubt n THR 239 Cb 0.57 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.33 1ubt n THR 239 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1ubt s ASN 240 N -0.52 -0.11 0.19 1.09 3.84 -0.83 -4.94 114.94 113.67 1ubt s ASN 240 Ca 0.00 -0.83 -0.20 0.00 0.21 0.00 0.00 52.86 52.04 1ubt s ASN 240 Cb 0.00 0.71 0.04 0.00 -0.55 0.00 0.00 41.25 41.45 1ubt s ASN 240 CO 0.00 -1.36 0.57 -1.66 -2.79 0.00 0.00 177.10 171.86 1ubt s TRP 241 N -3.61 -0.26 0.20 0.43 1.48 -1.26 -0.31 118.94 115.60 1ubt s TRP 241 Ca 0.16 -0.05 -0.15 0.00 -1.06 0.00 0.00 56.10 54.99 1ubt s TRP 241 Cb -0.04 0.48 0.19 0.00 -1.16 0.00 0.00 33.47 32.94 1ubt s TRP 241 CO 0.09 -0.93 1.63 -1.35 -4.06 0.00 0.00 176.95 172.33 1ubt h PRO 242 N 2.12 -0.02 0.00 3.25 0.11 -1.95 -1.61 132.00 133.90 1ubt h PRO 242 Ca -0.29 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 1ubt h PRO 242 Cb 1.27 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1ubt h PRO 242 CO 0.36 -0.01 -0.29 -0.39 -0.21 0.00 0.00 178.00 177.46 1ubt h VAL 243 N -0.02 0.53 0.00 3.15 -1.51 -1.87 -0.83 116.25 115.70 1ubt h VAL 243 Ca 0.27 -1.60 -0.01 0.00 -1.23 0.00 0.00 66.70 64.13 1ubt h VAL 243 Cb 0.44 2.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1ubt h VAL 243 CO -0.59 0.28 -0.06 0.44 -1.23 0.00 0.00 177.57 176.41 1ubt h ASP 244 N 0.00 0.00 -0.10 4.19 3.32 -1.63 0.28 116.42 122.49 1ubt h ASP 244 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ubt h ASP 244 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1ubt h ASP 244 CO 0.04 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 1ubt n ALA 245 N -2.15 2.55 -0.53 3.45 0.00 -0.39 -4.92 120.51 118.51 1ubt n ALA 245 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1ubt n ALA 245 Cb 0.24 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1ubt n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubt n GLY 246 N 0.93 0.75 3.46 0.00 0.00 0.09 -5.05 105.19 105.37 1ubt n GLY 246 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1ubt n GLY 246 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ubt s HIS 247 N -2.62 2.65 0.68 1.61 5.65 -0.75 -4.99 115.29 117.52 1ubt s HIS 247 Ca 0.00 -0.19 -0.17 0.00 0.25 0.00 0.00 55.06 54.95 1ubt s HIS 247 Cb 0.00 -1.59 0.01 0.00 -1.18 0.00 0.00 32.58 29.81 1ubt s HIS 247 CO 0.00 0.18 1.27 -1.25 -0.65 0.00 0.00 174.74 174.29 1ubt s PRO 248 N -0.84 2.38 0.31 2.88 0.04 -1.26 -3.06 135.00 135.44 1ubt s PRO 248 Ca 0.12 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1ubt s PRO 248 Cb -0.11 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1ubt s PRO 248 CO 0.01 -1.71 1.58 0.00 0.04 0.00 0.00 177.00 176.92 1ubt n ILE 250 N 1.87 0.64 -1.57 0.00 -5.35 -1.26 -0.91 119.36 112.78 1ubt n ILE 250 Ca 0.07 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 1ubt n ILE 250 Cb 0.38 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1ubt n ILE 250 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ubt n GLY 251 N 1.12 0.74 0.00 3.28 0.00 -1.26 -4.85 105.19 104.22 1ubt n GLY 251 Ca 0.16 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.63 1ubt n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubt n SER 253 N -1.22 3.17 -4.70 0.00 3.41 -1.26 -3.54 113.62 109.48 1ubt n SER 253 Ca 0.14 -1.99 -0.32 0.00 -0.26 0.00 0.00 58.87 56.44 1ubt n SER 253 Cb 0.18 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 1ubt n SER 253 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ubt s GLU 254 N -1.22 2.75 0.49 4.33 0.41 -0.70 -4.53 118.70 120.23 1ubt s GLU 254 Ca 0.40 -0.68 -0.24 0.00 -0.41 0.00 0.00 54.97 54.04 1ubt s GLU 254 Cb 0.21 -2.66 -0.07 0.00 -1.78 0.00 0.00 34.13 29.83 1ubt s GLU 254 CO 0.27 0.59 1.39 -1.25 -0.49 0.00 0.00 175.26 175.77 1ubt s PRO 255 N -1.90 3.48 -1.45 0.39 0.04 -1.26 -2.53 135.00 131.76 1ubt s PRO 255 Ca 0.23 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1ubt s PRO 255 Cb -0.12 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1ubt s PRO 255 CO 0.14 -0.95 0.00 -0.25 0.04 0.00 0.00 177.00 175.99 1ubt n ASP 256 N -0.52 -4.87 0.22 6.66 8.00 -1.26 -4.83 116.55 119.94 1ubt n ASP 256 Ca 0.07 0.12 0.06 0.00 0.71 0.00 0.00 54.79 55.75 1ubt n ASP 256 Cb 0.43 -4.12 0.49 0.00 -0.02 0.00 0.00 41.12 37.90 1ubt n ASP 256 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1ubt h PHE 257 N 0.00 0.00 -0.08 1.24 -5.15 -1.79 0.86 116.94 112.02 1ubt h PHE 257 Ca -0.39 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.40 1ubt h PHE 257 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.44 1ubt h PHE 257 CO 0.62 0.26 0.06 -1.49 -2.00 0.00 0.00 178.31 175.76 1ubt h TRP 258 N 0.00 0.00 0.00 6.09 4.06 -1.88 0.87 115.95 125.10 1ubt h TRP 258 Ca -0.00 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.60 1ubt h TRP 258 Cb 0.53 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.63 1ubt h TRP 258 CO 0.00 0.00 -2.31 -0.25 -3.56 0.00 0.00 178.44 172.32 1ubt n ASP 259 N -4.45 1.17 0.10 -3.49 8.00 -0.54 -4.20 116.55 113.15 1ubt n ASP 259 Ca -0.01 -0.06 -0.05 0.00 0.71 0.00 0.00 54.79 55.38 1ubt n ASP 259 Cb 0.17 0.38 0.05 0.00 -0.02 0.00 0.00 41.12 41.71 1ubt n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ubt h ALA 260 N 0.52 0.70 -0.03 2.24 0.00 -0.66 -3.29 119.26 118.75 1ubt h ALA 260 Ca -0.51 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1ubt h ALA 260 Cb 2.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1ubt h ALA 260 CO -0.02 0.90 -0.13 -1.33 0.00 0.00 0.00 179.25 178.67 1ubt n MET 261 N -3.68 2.01 -3.50 0.00 2.81 0.28 -4.94 117.12 110.09 1ubt n MET 261 Ca -0.02 -1.67 -0.30 0.00 -1.81 0.00 0.00 57.70 53.91 1ubt n MET 261 Cb 0.74 -1.46 -0.04 0.00 -0.71 0.00 0.00 33.22 31.75 1ubt n MET 261 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ubt s THR 262 N -2.11 5.07 0.30 2.03 -4.23 -1.24 -3.65 115.64 111.81 1ubt s THR 262 Ca 0.25 0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.52 1ubt s THR 262 Cb 0.19 -3.68 -0.11 0.00 1.34 0.00 0.00 72.50 70.24 1ubt s THR 262 CO 0.37 -0.16 1.50 -2.84 -0.54 0.00 0.00 174.62 172.96 1ubt s PRO 263 N -3.14 4.18 0.54 3.99 0.02 -1.26 -5.00 135.00 134.34 1ubt s PRO 263 Ca 0.43 2.46 0.28 0.00 0.02 0.00 0.00 61.00 64.19 1ubt s PRO 263 Cb -0.11 -3.04 1.57 0.00 0.02 0.00 0.00 34.50 32.93 1ubt s PRO 263 CO 0.27 -0.51 2.12 0.74 -0.33 0.00 0.00 177.00 179.29 1ubt h PHE 264 N 4.46 0.00 -0.59 6.54 0.04 -1.93 -2.57 116.94 122.89 1ubt h PHE 264 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1ubt h PHE 264 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1ubt h PHE 264 CO 0.58 0.09 0.00 0.66 -0.60 0.00 0.00 178.31 179.03 1ubt n TYR 265 N -3.67 2.03 -4.78 -0.55 4.01 -1.26 -4.35 117.16 108.58 1ubt n TYR 265 Ca -0.02 -0.71 -0.29 0.00 -0.16 0.00 0.00 57.90 56.71 1ubt n TYR 265 Cb 0.19 -0.48 -0.14 0.00 -0.31 0.00 0.00 39.34 38.60 1ubt n TYR 265 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1ubt s GLN 266 N -2.66 1.66 0.00 -0.72 -0.21 -0.97 -3.88 119.66 112.88 1ubt s GLN 266 Ca 0.55 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.81 1ubt s GLN 266 Cb 0.41 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.55 1ubt s GLN 266 CO 0.17 0.48 0.26 0.09 -2.12 0.00 0.00 175.29 174.17