#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl6 s PRO 12 N 0.00 3.20 -0.35 1.64 0.02 -1.26 -5.03 135.00 133.22 1xl6 s PRO 12 Ca 0.00 0.42 -0.23 0.00 0.02 0.00 0.00 61.00 61.20 1xl6 s PRO 12 Cb 0.00 -2.14 0.01 0.00 0.02 0.00 0.00 34.50 32.38 1xl6 s PRO 12 CO 0.00 -0.70 0.78 1.03 -0.33 0.00 0.00 177.00 177.79 1xl6 s ARG 13 N -5.14 3.81 0.13 5.54 1.81 -1.26 -4.91 118.95 118.93 1xl6 s ARG 13 Ca 0.55 0.39 -0.14 0.00 -1.72 0.00 0.00 55.73 54.81 1xl6 s ARG 13 Cb -0.11 -3.79 -0.02 0.00 -0.45 0.00 0.00 34.95 30.59 1xl6 s ARG 13 CO 0.50 -0.80 1.56 0.82 -0.68 0.00 0.00 175.30 176.69 1xl6 h ILE 14 N 5.71 1.27 -3.32 1.52 2.04 -1.95 -3.42 117.51 119.35 1xl6 h ILE 14 Ca -0.25 -1.11 -0.65 0.00 1.00 0.00 0.00 64.86 63.86 1xl6 h ILE 14 Cb 1.09 1.14 -0.24 0.00 -0.74 0.00 0.00 36.82 38.07 1xl6 h ILE 14 CO 0.90 0.37 -0.72 -0.76 0.00 0.00 0.00 178.15 177.95 1xl6 s LEU 15 N -9.34 2.96 1.00 1.44 1.43 -1.26 -1.30 118.68 113.61 1xl6 s LEU 15 Ca -0.13 -0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 1xl6 s LEU 15 Cb 0.10 -1.69 0.19 0.00 0.03 0.00 0.00 46.19 44.83 1xl6 s LEU 15 CO 0.81 0.17 1.10 0.20 0.23 0.00 0.00 176.35 178.86 1xl6 s ASN 16 N 0.32 2.60 0.45 2.29 0.01 0.00 -4.88 114.94 115.73 1xl6 s ASN 16 Ca -0.08 1.12 0.11 0.00 -0.71 0.00 0.00 52.86 53.31 1xl6 s ASN 16 Cb -0.15 -1.77 1.00 0.00 0.41 0.00 0.00 41.25 40.73 1xl6 s ASN 16 CO 0.04 -3.14 2.07 0.28 -1.51 0.00 0.00 177.10 174.85 1xl6 h SER 17 N -1.90 0.26 -0.34 -1.22 0.02 -1.88 -1.78 113.55 106.72 1xl6 h SER 17 Ca -0.55 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1xl6 h SER 17 Cb 1.33 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1xl6 h SER 17 CO 0.58 0.22 0.00 -0.90 -1.14 0.00 0.00 176.83 175.59 1xl6 n ASP 18 N -4.47 3.13 0.00 3.07 5.75 -1.26 0.30 116.55 123.07 1xl6 n ASP 18 Ca 0.00 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1xl6 n ASP 18 Cb 0.10 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1xl6 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xl6 n GLY 19 N 0.58 0.55 3.75 6.12 0.00 -0.67 -4.18 105.19 111.34 1xl6 n GLY 19 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1xl6 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xl6 s SER 20 N -2.21 7.24 0.27 1.61 1.04 -1.26 -4.80 113.70 115.59 1xl6 s SER 20 Ca 0.00 1.48 -0.30 0.00 0.48 0.00 0.00 55.95 57.61 1xl6 s SER 20 Cb 0.00 -2.48 -0.10 0.00 0.10 0.00 0.00 66.02 63.54 1xl6 s SER 20 CO 0.00 0.03 1.39 -0.55 0.98 0.00 0.00 173.24 175.09 1xl6 s SER 21 N -0.16 6.70 -0.29 7.02 0.15 -1.26 -0.82 113.70 125.04 1xl6 s SER 21 Ca 0.39 2.66 0.11 0.00 0.70 0.00 0.00 55.95 59.81 1xl6 s SER 21 Cb -0.21 -2.63 0.68 0.00 -1.71 0.00 0.00 66.02 62.15 1xl6 s SER 21 CO 0.24 -0.65 1.69 -3.20 1.20 0.00 0.00 173.24 172.52 1xl6 n ASN 22 N 1.89 4.39 -4.85 5.45 5.15 -0.42 -4.86 115.26 122.01 1xl6 n ASN 22 Ca 0.05 -3.25 -0.32 0.00 -0.60 0.00 0.00 54.58 50.46 1xl6 n ASN 22 Cb 0.41 -0.69 -0.06 0.00 -0.53 0.00 0.00 39.78 38.91 1xl6 n ASN 22 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xl6 s ILE 23 N -2.99 4.69 0.18 -1.44 -1.09 -1.26 -4.99 121.20 114.30 1xl6 s ILE 23 Ca 0.51 0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 59.73 1xl6 s ILE 23 Cb 0.42 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.60 1xl6 s ILE 23 CO 0.11 -0.23 0.55 -0.89 -1.23 0.00 0.00 174.94 173.25 1xl6 s THR 24 N -2.04 4.90 0.04 2.92 2.01 -1.26 -5.08 115.64 117.13 1xl6 s THR 24 Ca 0.54 0.66 0.07 0.00 0.31 0.00 0.00 61.69 63.27 1xl6 s THR 24 Cb -0.10 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1xl6 s THR 24 CO 0.19 0.10 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.91 1xl6 s ARG 25 N -2.35 2.07 -0.29 4.92 0.52 -1.26 -5.10 118.95 117.46 1xl6 s ARG 25 Ca 0.42 -0.98 -0.08 0.00 -0.52 0.00 0.00 55.73 54.57 1xl6 s ARG 25 Cb -0.13 -2.20 -0.00 0.00 0.52 0.00 0.00 34.95 33.14 1xl6 s ARG 25 CO 0.20 0.54 0.09 -0.51 0.02 0.00 0.00 175.30 175.64 1xl6 s LEU 26 N -1.48 3.81 0.39 2.53 1.43 -1.26 -5.06 118.68 119.03 1xl6 s LEU 26 Ca 0.15 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 1xl6 s LEU 26 Cb -0.11 -1.92 0.05 0.00 0.03 0.00 0.00 46.19 44.25 1xl6 s LEU 26 CO 0.06 -0.16 0.75 -0.83 0.23 0.00 0.00 176.35 176.40 1xl6 s GLY 27 N 1.55 0.60 0.00 -3.19 0.00 -1.26 -4.87 107.32 100.16 1xl6 s GLY 27 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1xl6 s GLY 27 CO 0.03 -0.44 0.00 1.04 0.00 0.00 0.00 173.10 173.73 1xl6 n LEU 28 N -0.55 0.00 -4.82 0.66 4.77 -1.26 -5.13 117.00 110.68 1xl6 n LEU 28 Ca -0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.53 1xl6 n LEU 28 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1xl6 n LEU 28 CO 0.28 0.00 0.04 -1.61 -1.33 0.00 0.00 177.39 174.77 1xl6 s GLU 29 N 0.00 3.92 0.23 3.23 2.02 -1.26 -5.03 118.70 121.82 1xl6 s GLU 29 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1xl6 s GLU 29 Cb 0.00 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1xl6 s GLU 29 CO 0.00 0.59 0.00 1.17 0.02 0.00 0.00 175.26 177.04 1xl6 n LYS 30 N 2.30 -1.62 -3.57 1.61 3.00 -1.26 -5.12 118.16 113.50 1xl6 n LYS 30 Ca -0.14 1.26 -0.09 0.00 -0.00 0.00 0.00 58.31 59.34 1xl6 n LYS 30 Cb 0.53 -1.89 -0.04 0.00 0.00 0.00 0.00 35.03 33.63 1xl6 n LYS 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1xl6 s ARG 31 N -4.56 0.55 0.29 1.64 0.52 -1.26 -5.18 118.95 110.96 1xl6 s ARG 31 Ca 0.00 0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 1xl6 s ARG 31 Cb 0.00 0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.74 1xl6 s ARG 31 CO 0.00 -0.20 0.08 0.41 0.02 0.00 0.00 175.30 175.62 1xl6 n GLY 32 N 0.41 3.49 0.37 -3.53 0.00 -1.26 -5.06 105.19 99.61 1xl6 n GLY 32 Ca -0.08 -2.28 -0.18 0.00 0.00 0.00 0.00 46.02 43.48 1xl6 n GLY 32 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1xl6 n TRP 33 N -0.90 0.00 0.28 1.61 -0.00 -1.26 -2.29 117.44 114.88 1xl6 n TRP 33 Ca -0.08 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.44 1xl6 n TRP 33 Cb 0.36 -0.66 0.13 0.00 -0.00 0.00 0.00 31.31 31.14 1xl6 n TRP 33 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1xl6 n LEU 34 N -3.67 0.00 -0.10 5.67 7.94 -1.26 0.28 117.00 125.86 1xl6 n LEU 34 Ca -0.35 0.07 -0.22 0.00 -1.11 0.00 0.00 56.01 54.40 1xl6 n LEU 34 Cb 0.77 -0.07 -0.07 0.00 0.53 0.00 0.00 43.42 44.58 1xl6 n LEU 34 CO 0.05 -0.06 -1.20 -0.67 -1.11 0.00 0.00 177.39 174.40 1xl6 n ASP 35 N -1.07 1.42 0.31 1.96 -0.08 -1.26 -4.17 116.55 113.66 1xl6 n ASP 35 Ca 0.03 0.25 -0.12 0.00 -1.51 0.00 0.00 54.79 53.44 1xl6 n ASP 35 Cb 0.02 -0.60 -0.06 0.00 2.34 0.00 0.00 41.12 42.83 1xl6 n ASP 35 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1xl6 h ASP 36 N -0.73 -0.69 0.00 1.67 5.19 0.09 -1.93 116.42 120.02 1xl6 h ASP 36 Ca -0.52 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1xl6 h ASP 36 Cb 1.45 0.18 0.00 0.00 0.18 0.00 0.00 39.33 41.14 1xl6 h ASP 36 CO -0.31 -0.48 0.00 1.57 -3.12 0.00 0.00 179.24 176.90 1xl6 n HIS 37 N -4.17 0.00 0.00 4.55 -0.00 0.80 -3.23 115.22 113.17 1xl6 n HIS 37 Ca -0.10 -0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.05 1xl6 n HIS 37 Cb 0.32 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.12 1xl6 n HIS 37 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1xl6 n TYR 38 N 0.40 0.00 -0.04 1.57 4.02 -0.77 -4.77 117.16 117.56 1xl6 n TYR 38 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1xl6 n TYR 38 Cb 0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.42 1xl6 n TYR 38 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1xl6 n HIS 39 N -0.39 0.11 -0.26 -0.72 8.25 -0.92 -2.25 115.22 119.03 1xl6 n HIS 39 Ca 0.00 0.05 0.33 0.00 -0.26 0.00 0.00 57.72 57.84 1xl6 n HIS 39 Cb 0.00 -0.31 0.68 0.00 1.12 0.00 0.00 29.99 31.48 1xl6 n HIS 39 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1xl6 h ASP 40 N -0.50 0.00 0.02 0.41 -0.00 -1.84 0.45 116.42 114.95 1xl6 h ASP 40 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 1xl6 h ASP 40 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.77 1xl6 h ASP 40 CO 0.00 0.00 -1.99 -0.11 -0.00 0.00 0.00 179.24 177.14 1xl6 n LEU 41 N -3.78 0.02 -0.10 0.15 7.94 -1.26 -4.45 117.00 115.51 1xl6 n LEU 41 Ca 0.24 0.01 0.03 0.00 -1.11 0.00 0.00 56.01 55.18 1xl6 n LEU 41 Cb 1.31 0.01 0.05 0.00 0.53 0.00 0.00 43.42 45.31 1xl6 n LEU 41 CO 0.34 0.01 0.45 0.18 -1.11 0.00 0.00 177.39 177.25 1xl6 n LEU 42 N -2.28 1.51 -0.03 -1.96 4.77 0.59 -4.68 117.00 114.91 1xl6 n LEU 42 Ca -0.05 -1.92 -0.01 0.00 -0.03 0.00 0.00 56.01 54.01 1xl6 n LEU 42 Cb 0.58 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1xl6 n LEU 42 CO 0.46 0.46 -0.76 0.41 -1.33 0.00 0.00 177.39 176.63 1xl6 n THR 43 N -0.67 0.43 -2.72 -5.08 -1.04 0.13 -4.94 114.28 100.38 1xl6 n THR 43 Ca 0.06 -0.37 -0.39 0.00 -2.04 0.00 0.00 64.05 61.30 1xl6 n THR 43 Cb 0.49 -0.33 -0.06 0.00 -1.82 0.00 0.00 70.33 68.61 1xl6 n THR 43 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1xl6 s VAL 44 N -2.47 4.02 0.69 12.58 -7.23 -1.26 -5.02 120.40 121.72 1xl6 s VAL 44 Ca -0.05 1.93 -0.17 0.00 -1.81 0.00 0.00 61.98 61.89 1xl6 s VAL 44 Cb 0.05 -4.19 -0.07 0.00 0.56 0.00 0.00 36.38 32.73 1xl6 s VAL 44 CO 0.45 0.38 0.35 -1.54 -0.31 0.00 0.00 175.10 174.43 1xl6 n SER 45 N 1.19 -1.82 -0.12 4.85 3.41 -1.26 -4.34 113.62 115.53 1xl6 n SER 45 Ca -0.01 0.59 -0.05 0.00 -0.26 0.00 0.00 58.87 59.15 1xl6 n SER 45 Cb 0.48 -1.13 0.01 0.00 -0.26 0.00 0.00 64.21 63.31 1xl6 n SER 45 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1xl6 h TRP 46 N -0.27 -0.42 -1.01 7.33 4.06 -1.98 0.38 115.95 124.04 1xl6 h TRP 46 Ca -0.45 0.04 0.23 0.00 2.06 0.00 0.00 58.89 60.77 1xl6 h TRP 46 Cb 1.37 0.25 -0.12 0.00 -1.00 0.00 0.00 29.16 29.66 1xl6 h TRP 46 CO 0.32 -0.25 0.61 -1.35 -3.56 0.00 0.00 178.44 174.20 1xl6 h PRO 47 N -0.09 0.62 -0.17 0.49 0.11 -2.00 0.60 132.00 131.56 1xl6 h PRO 47 Ca 0.20 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1xl6 h PRO 47 Cb 0.40 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1xl6 h PRO 47 CO -0.47 0.41 -0.12 0.28 -0.21 0.00 0.00 178.00 177.89 1xl6 h VAL 48 N 0.64 1.33 -0.56 3.15 2.07 -1.06 -2.87 116.25 118.95 1xl6 h VAL 48 Ca 0.62 -1.22 0.09 0.00 0.82 0.00 0.00 66.70 67.01 1xl6 h VAL 48 Cb 1.12 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.58 1xl6 h VAL 48 CO -0.43 0.36 0.16 0.15 0.02 0.00 0.00 177.57 177.83 1xl6 h PHE 49 N 0.04 0.27 -0.93 1.57 3.57 0.31 -0.92 116.94 120.85 1xl6 h PHE 49 Ca 0.03 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1xl6 h PHE 49 Cb 0.62 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1xl6 h PHE 49 CO 0.07 0.04 0.61 0.82 -2.23 0.00 0.00 178.31 177.62 1xl6 h ILE 50 N 0.32 1.11 0.40 1.41 2.04 0.05 -2.26 117.51 120.57 1xl6 h ILE 50 Ca 0.28 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1xl6 h ILE 50 Cb 0.36 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1xl6 h ILE 50 CO -0.32 0.20 -0.19 0.74 0.00 0.00 0.00 178.15 178.58 1xl6 h THR 51 N 1.11 0.58 -0.14 -0.27 2.02 -1.03 0.28 112.91 115.46 1xl6 h THR 51 Ca 0.39 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1xl6 h THR 51 Cb 0.11 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1xl6 h THR 51 CO -0.13 0.07 0.57 -0.07 0.37 0.00 0.00 175.52 176.33 1xl6 h LEU 52 N -0.78 0.00 0.00 2.58 3.38 -0.72 0.41 115.31 120.17 1xl6 h LEU 52 Ca -0.05 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.58 1xl6 h LEU 52 Cb 0.53 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1xl6 h LEU 52 CO 0.09 0.00 -2.27 0.00 0.09 0.00 0.00 178.44 176.35 1xl6 n ILE 53 N -2.96 1.28 -0.05 1.22 3.06 -0.90 -3.63 119.36 117.38 1xl6 n ILE 53 Ca 0.02 -0.49 0.05 0.00 -2.50 0.00 0.00 62.75 59.82 1xl6 n ILE 53 Cb 0.64 -1.29 0.40 0.00 0.54 0.00 0.00 39.64 39.94 1xl6 n ILE 53 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 1xl6 h THR 54 N 0.00 1.09 0.00 9.51 2.02 0.16 0.41 112.91 126.10 1xl6 h THR 54 Ca -0.50 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 1xl6 h THR 54 Cb 1.77 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1xl6 h THR 54 CO -0.08 0.11 -0.00 1.23 0.37 0.00 0.00 175.52 177.16 1xl6 h GLY 55 N 0.62 -0.00 0.96 2.16 0.00 -0.50 -2.84 103.07 103.46 1xl6 h GLY 55 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.61 1xl6 h GLY 55 CO -0.05 -0.00 0.48 -2.00 0.00 0.00 0.00 176.54 174.97 1xl6 h LEU 56 N -0.72 0.60 0.85 3.11 5.85 -1.51 -1.39 115.31 122.10 1xl6 h LEU 56 Ca -0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1xl6 h LEU 56 Cb 0.72 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1xl6 h LEU 56 CO 0.00 0.37 -0.48 0.22 -0.34 0.00 0.00 178.44 178.21 1xl6 h TYR 57 N 0.67 -1.26 -0.04 1.25 3.20 -0.21 -2.96 116.97 117.62 1xl6 h TYR 57 Ca 0.33 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 1xl6 h TYR 57 Cb 0.39 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1xl6 h TYR 57 CO -0.00 -0.73 0.02 -0.07 -1.64 0.00 0.00 178.16 175.73 1xl6 h LEU 58 N -1.23 0.06 -0.15 2.82 3.38 -1.22 -2.55 115.31 116.41 1xl6 h LEU 58 Ca -0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1xl6 h LEU 58 Cb 0.97 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1xl6 h LEU 58 CO 0.15 0.17 0.00 1.33 0.09 0.00 0.00 178.44 180.18 1xl6 n VAL 59 N -4.99 1.35 -0.00 1.22 0.24 -0.56 0.68 118.33 116.28 1xl6 n VAL 59 Ca -0.07 0.37 -0.21 0.00 -2.04 0.00 0.00 64.34 62.40 1xl6 n VAL 59 Cb 0.09 -1.24 -0.14 0.00 -1.47 0.00 0.00 33.84 31.08 1xl6 n VAL 59 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1xl6 n THR 60 N -1.61 1.77 0.35 3.34 -1.04 -1.12 -2.98 114.28 112.99 1xl6 n THR 60 Ca 0.02 -0.66 -0.17 0.00 -2.04 0.00 0.00 64.05 61.20 1xl6 n THR 60 Cb 0.11 -1.69 -0.09 0.00 -1.82 0.00 0.00 70.33 66.84 1xl6 n THR 60 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xl6 h ASN 61 N 0.07 -0.73 -0.98 8.00 2.35 -0.67 -1.22 115.58 122.39 1xl6 h ASN 61 Ca -0.43 0.01 0.26 0.00 -0.55 0.00 0.00 56.30 55.59 1xl6 h ASN 61 Cb 2.03 0.19 -0.13 0.00 0.05 0.00 0.00 38.32 40.46 1xl6 h ASN 61 CO 0.08 -0.48 0.54 0.00 -1.65 0.00 0.00 177.43 175.92 1xl6 h ALA 62 N -0.59 1.76 0.40 -0.83 0.00 0.10 0.21 119.26 120.30 1xl6 h ALA 62 Ca -0.09 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xl6 h ALA 62 Cb 0.68 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xl6 h ALA 62 CO 0.15 -0.37 -0.19 -0.07 0.00 0.00 0.00 179.25 178.77 1xl6 h LEU 63 N 0.47 -0.45 -2.04 0.00 3.38 -1.38 -1.37 115.31 113.92 1xl6 h LEU 63 Ca 0.65 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.61 1xl6 h LEU 63 Cb 1.31 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1xl6 h LEU 63 CO -0.53 -0.08 0.38 -0.26 0.09 0.00 0.00 178.44 178.04 1xl6 h PHE 64 N -0.88 0.00 0.03 1.13 -1.00 0.07 0.60 116.94 116.89 1xl6 h PHE 64 Ca -0.05 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 1xl6 h PHE 64 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1xl6 h PHE 64 CO 0.02 0.00 -0.01 0.00 -1.61 0.00 0.00 178.31 176.71 1xl6 h ALA 65 N 1.61 -0.04 -0.74 2.45 0.00 -0.40 -1.71 119.26 120.43 1xl6 h ALA 65 Ca 0.19 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1xl6 h ALA 65 Cb 0.95 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1xl6 h ALA 65 CO -0.00 -0.27 0.41 -0.07 0.00 0.00 0.00 179.25 179.31 1xl6 h LEU 66 N -0.53 0.59 -1.74 0.00 3.38 0.90 -0.13 115.31 117.78 1xl6 h LEU 66 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xl6 h LEU 66 Cb 0.49 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1xl6 h LEU 66 CO 0.01 0.36 0.06 0.00 0.09 0.00 0.00 178.44 178.95 1xl6 h ALA 67 N 1.41 1.80 0.13 1.53 0.00 0.06 -1.08 119.26 123.10 1xl6 h ALA 67 Ca 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1xl6 h ALA 67 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xl6 h ALA 67 CO -0.22 0.16 -0.06 1.88 0.00 0.00 0.00 179.25 181.01 1xl6 h TYR 68 N 0.22 -0.17 -0.83 0.00 -1.99 -0.11 -3.23 116.97 110.87 1xl6 h TYR 68 Ca 0.06 -0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.94 1xl6 h TYR 68 Cb 0.06 0.06 -0.06 0.00 2.00 0.00 0.00 36.73 38.79 1xl6 h TYR 68 CO 0.00 0.27 0.54 -0.07 -0.00 0.00 0.00 178.16 178.91 1xl6 h LEU 69 N -0.91 0.50 -0.91 3.88 3.38 -1.16 0.40 115.31 120.50 1xl6 h LEU 69 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xl6 h LEU 69 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xl6 h LEU 69 CO 0.03 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1xl6 n ALA 70 N -2.48 1.13 1.36 1.53 0.00 -0.42 -0.01 120.51 121.62 1xl6 n ALA 70 Ca 0.16 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1xl6 n ALA 70 Cb 0.52 -1.24 0.40 0.00 0.00 0.00 0.00 19.45 19.14 1xl6 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xl6 n GLY 72 N 1.23 -0.82 2.24 0.00 0.00 0.99 -4.49 105.19 104.34 1xl6 n GLY 72 Ca 0.18 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 1xl6 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xl6 n ASP 73 N 0.00 5.85 0.07 1.61 9.92 -1.26 -4.55 116.55 128.19 1xl6 n ASP 73 Ca 0.00 -2.84 -0.03 0.00 -0.53 0.00 0.00 54.79 51.39 1xl6 n ASP 73 Cb 0.00 -1.33 -0.01 0.00 -0.64 0.00 0.00 41.12 39.14 1xl6 n ASP 73 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1xl6 h VAL 74 N 2.00 0.00 -0.54 2.53 3.04 -1.86 -3.45 116.25 117.96 1xl6 h VAL 74 Ca 0.29 -0.19 -0.79 0.00 -1.01 0.00 0.00 66.70 65.00 1xl6 h VAL 74 Cb 1.12 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 1xl6 h VAL 74 CO 0.55 0.00 1.11 -0.38 -1.01 0.00 0.00 177.57 177.84 1xl6 n ILE 75 N -3.04 0.05 -2.11 3.17 5.41 -1.26 -4.36 119.36 117.21 1xl6 n ILE 75 Ca -0.02 -0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.29 1xl6 n ILE 75 Cb 0.08 -0.68 -0.02 0.00 -0.71 0.00 0.00 39.64 38.30 1xl6 n ILE 75 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xl6 s GLU 76 N 4.93 4.35 -1.39 0.38 2.12 -1.13 -3.07 118.70 124.89 1xl6 s GLU 76 Ca 1.13 2.22 0.00 0.00 0.36 0.00 0.00 54.97 58.68 1xl6 s GLU 76 Cb -1.40 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 29.92 1xl6 s GLU 76 CO 0.69 -0.20 0.00 0.09 -0.54 0.00 0.00 175.26 175.30 1xl6 n ASN 77 N 0.84 -4.56 -0.01 -1.70 4.13 -1.26 -4.39 115.26 108.30 1xl6 n ASN 77 Ca 0.00 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.51 1xl6 n ASN 77 Cb 0.42 -3.41 0.00 0.00 -1.54 0.00 0.00 39.78 35.25 1xl6 n ASN 77 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xl6 n ALA 78 N 0.45 0.00 -2.45 5.41 0.00 -1.17 -4.93 120.51 117.81 1xl6 n ALA 78 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 1xl6 n ALA 78 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.83 1xl6 n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xl6 s ARG 79 N 2.41 1.82 0.02 0.00 0.52 -1.26 -5.08 118.95 117.37 1xl6 s ARG 79 Ca 0.00 -1.14 -0.33 0.00 -0.52 0.00 0.00 55.73 53.74 1xl6 s ARG 79 Cb 0.00 -2.10 -0.12 0.00 0.52 0.00 0.00 34.95 33.25 1xl6 s ARG 79 CO 0.00 0.50 1.80 -2.30 0.02 0.00 0.00 175.30 175.32 1xl6 n PRO 80 N 1.12 2.33 -0.50 3.54 -0.02 -1.26 -2.80 135.00 137.41 1xl6 n PRO 80 Ca -0.16 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1xl6 n PRO 80 Cb 0.52 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1xl6 n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xl6 n GLY 81 N 4.13 0.00 3.64 -1.23 0.00 -1.26 -4.89 105.19 105.59 1xl6 n GLY 81 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1xl6 n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xl6 s SER 82 N -1.01 6.77 0.25 1.61 0.15 -1.12 -4.89 113.70 115.46 1xl6 s SER 82 Ca 0.00 1.45 0.05 0.00 0.70 0.00 0.00 55.95 58.15 1xl6 s SER 82 Cb 0.00 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 62.08 1xl6 s SER 82 CO 0.00 -0.95 1.60 0.15 1.20 0.00 0.00 173.24 175.24 1xl6 h PHE 83 N 8.92 0.31 0.00 3.44 3.57 -1.91 -2.89 116.94 128.38 1xl6 h PHE 83 Ca -0.27 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1xl6 h PHE 83 Cb 1.10 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1xl6 h PHE 83 CO 0.85 0.73 0.00 2.41 -2.23 0.00 0.00 178.31 180.07 1xl6 n THR 84 N -3.92 0.17 0.00 4.41 -1.04 -1.26 -0.87 114.28 111.77 1xl6 n THR 84 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1xl6 n THR 84 Cb 0.57 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1xl6 n THR 84 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1xl6 n ASP 85 N 0.18 1.65 0.08 8.00 9.92 -1.11 -4.68 116.55 130.59 1xl6 n ASP 85 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1xl6 n ASP 85 Cb 0.26 0.08 -0.13 0.00 -0.64 0.00 0.00 41.12 40.68 1xl6 n ASP 85 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xl6 h ALA 86 N 0.00 0.23 -0.32 2.24 0.00 -1.34 -2.74 119.26 117.33 1xl6 h ALA 86 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 54.91 54.00 1xl6 h ALA 86 Cb 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1xl6 h ALA 86 CO 0.00 1.11 0.13 0.35 0.00 0.00 0.00 179.25 180.85 1xl6 h PHE 87 N 0.04 0.24 0.00 0.00 3.57 -1.29 -0.46 116.94 119.05 1xl6 h PHE 87 Ca -0.11 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 1xl6 h PHE 87 Cb 1.91 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 1xl6 h PHE 87 CO 0.04 0.12 -0.25 0.74 -2.23 0.00 0.00 178.31 176.73 1xl6 h PHE 88 N 0.29 0.00 -0.34 0.41 0.05 -1.79 -1.59 116.94 113.98 1xl6 h PHE 88 Ca 0.14 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.77 1xl6 h PHE 88 Cb 0.08 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 1xl6 h PHE 88 CO -0.12 0.25 -0.42 0.35 -0.18 0.00 0.00 178.31 178.19 1xl6 h PHE 89 N 0.00 1.03 0.20 -0.55 3.57 -0.93 -1.39 116.94 118.87 1xl6 h PHE 89 Ca -0.00 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 1xl6 h PHE 89 Cb 0.57 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1xl6 h PHE 89 CO 0.00 1.13 -0.10 1.03 -2.23 0.00 0.00 178.31 178.14 1xl6 h SER 90 N 0.69 -0.23 -0.34 0.41 0.87 -0.73 0.62 113.55 114.84 1xl6 h SER 90 Ca 0.05 -0.23 0.10 0.00 -1.23 0.00 0.00 61.79 60.48 1xl6 h SER 90 Cb 1.01 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1xl6 h SER 90 CO 0.10 0.12 0.34 0.58 -0.53 0.00 0.00 176.83 177.44 1xl6 h VAL 91 N -0.61 0.47 0.00 2.23 2.07 -1.32 1.55 116.25 120.65 1xl6 h VAL 91 Ca -0.03 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.29 1xl6 h VAL 91 Cb 0.44 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1xl6 h VAL 91 CO 0.05 0.00 -1.47 1.56 0.02 0.00 0.00 177.57 177.73 1xl6 h GLN 92 N 0.00 0.00 0.06 1.57 4.20 -0.72 -3.25 115.11 116.98 1xl6 h GLN 92 Ca 0.16 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.71 1xl6 h GLN 92 Cb 0.84 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1xl6 h GLN 92 CO -0.00 0.35 -0.82 1.15 -0.67 0.00 0.00 178.83 178.84 1xl6 h THR 93 N 0.00 1.34 0.62 -0.54 2.02 0.36 0.23 112.91 116.94 1xl6 h THR 93 Ca -0.19 -2.37 -0.03 0.00 0.77 0.00 0.00 66.41 64.59 1xl6 h THR 93 Cb 1.70 2.93 0.01 0.00 -1.74 0.00 0.00 68.15 71.04 1xl6 h THR 93 CO 0.06 0.60 -0.30 -0.03 0.37 0.00 0.00 175.52 176.22 1xl6 h MET 94 N -0.67 -0.80 0.00 6.66 1.85 0.19 -1.96 114.93 120.19 1xl6 h MET 94 Ca -0.19 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 1xl6 h MET 94 Cb 1.41 0.18 0.00 0.00 0.43 0.00 0.00 31.60 33.62 1xl6 h MET 94 CO 0.01 -0.52 0.00 0.00 -0.40 0.00 0.00 176.91 176.00 1xl6 n ALA 95 N -2.48 1.77 -3.48 0.39 0.00 -1.22 -4.59 120.51 110.90 1xl6 n ALA 95 Ca -0.13 -0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 1xl6 n ALA 95 Cb 0.35 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1xl6 n ALA 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xl6 n THR 96 N -0.57 -1.47 -0.02 0.00 -2.24 -0.74 -4.91 114.28 104.34 1xl6 n THR 96 Ca 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1xl6 n THR 96 Cb 0.00 -2.41 -0.02 0.00 -2.10 0.00 0.00 70.33 65.81 1xl6 n THR 96 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xl6 h ILE 97 N -1.38 0.17 -5.87 2.28 2.04 -1.35 -3.50 117.51 109.91 1xl6 h ILE 97 Ca -0.50 -1.06 -0.18 0.00 1.00 0.00 0.00 64.86 64.12 1xl6 h ILE 97 Cb 1.33 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1xl6 h ILE 97 CO 0.59 0.06 -0.46 0.61 0.00 0.00 0.00 178.15 178.94 1xl6 n GLY 98 N 1.55 -1.20 0.27 5.37 0.00 0.67 -4.86 105.19 106.99 1xl6 n GLY 98 Ca -0.02 0.63 0.10 0.00 0.00 0.00 0.00 46.02 46.73 1xl6 n GLY 98 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xl6 h TYR 99 N 0.45 0.00 0.00 1.61 -1.99 -1.96 -3.46 116.97 111.62 1xl6 h TYR 99 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1xl6 h TYR 99 Cb 1.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.88 1xl6 h TYR 99 CO 0.19 0.01 0.00 0.41 -0.00 0.00 0.00 178.16 178.77 1xl6 n GLY 100 N -1.43 3.11 0.17 3.88 0.00 -1.26 -4.86 105.19 104.79 1xl6 n GLY 100 Ca -0.03 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.22 1xl6 n GLY 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xl6 n LYS 101 N 0.00 0.12 -0.11 1.61 3.00 -1.26 -1.17 118.16 120.35 1xl6 n LYS 101 Ca 0.00 0.61 0.08 0.00 -0.00 0.00 0.00 58.31 59.00 1xl6 n LYS 101 Cb 0.00 -2.03 0.11 0.00 0.00 0.00 0.00 35.03 33.12 1xl6 n LYS 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1xl6 n LEU 102 N -2.17 2.03 -3.08 3.14 4.77 -1.26 -4.61 117.00 115.82 1xl6 n LEU 102 Ca -0.01 -2.73 -0.28 0.00 -0.03 0.00 0.00 56.01 52.95 1xl6 n LEU 102 Cb 0.16 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1xl6 n LEU 102 CO 0.08 0.63 -0.49 0.00 -1.33 0.00 0.00 177.39 176.28 1xl6 n ILE 103 N -1.19 0.00 -0.44 -0.08 3.06 -0.31 -4.34 119.36 116.06 1xl6 n ILE 103 Ca 0.13 -0.36 -0.30 0.00 -2.50 0.00 0.00 62.75 59.71 1xl6 n ILE 103 Cb 0.61 0.00 0.28 0.00 0.54 0.00 0.00 39.64 41.08 1xl6 n ILE 103 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 1xl6 s PRO 104 N -0.77 -2.65 -0.16 9.51 0.02 -1.26 -2.83 135.00 136.87 1xl6 s PRO 104 Ca 0.41 0.19 -0.04 0.00 0.02 0.00 0.00 61.00 61.57 1xl6 s PRO 104 Cb -0.35 -1.41 0.08 0.00 0.02 0.00 0.00 34.50 32.84 1xl6 s PRO 104 CO 0.49 -4.70 0.26 0.42 -0.33 0.00 0.00 177.00 173.14 1xl6 s ILE 105 N -2.34 -0.41 0.00 2.83 -1.09 -1.26 -4.52 121.20 114.41 1xl6 s ILE 105 Ca 0.69 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 1xl6 s ILE 105 Cb -0.14 -0.53 0.00 0.00 -1.58 0.00 0.00 42.46 40.21 1xl6 s ILE 105 CO 0.58 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.93 1xl6 n GLY 106 N 5.35 0.90 0.13 6.18 0.00 -1.26 -4.18 105.19 112.31 1xl6 n GLY 106 Ca -0.06 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 1xl6 n GLY 106 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xl6 n PRO 107 N 2.82 0.31 -0.30 1.61 -0.02 -1.26 -4.33 135.00 133.82 1xl6 n PRO 107 Ca 0.00 0.08 -0.05 0.00 -2.02 0.00 0.00 63.50 61.51 1xl6 n PRO 107 Cb 0.00 -1.22 0.08 0.00 -0.02 0.00 0.00 33.50 32.35 1xl6 n PRO 107 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xl6 h LEU 108 N -0.06 1.10 0.00 2.45 3.38 -1.99 0.25 115.31 120.44 1xl6 h LEU 108 Ca -0.29 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1xl6 h LEU 108 Cb 1.42 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1xl6 h LEU 108 CO -0.07 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1xl6 n ALA 109 N -2.43 -0.21 -0.35 1.53 0.00 -1.26 -1.18 120.51 116.62 1xl6 n ALA 109 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.59 1xl6 n ALA 109 Cb 0.15 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.75 1xl6 n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xl6 n ASN 110 N -1.54 -0.33 -0.21 0.00 3.02 -1.24 0.17 115.26 115.13 1xl6 n ASN 110 Ca 0.00 1.65 -0.06 0.00 -0.03 0.00 0.00 54.58 56.14 1xl6 n ASN 110 Cb 0.00 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 38.70 1xl6 n ASN 110 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xl6 h THR 111 N 0.00 1.16 -0.21 3.41 1.03 -1.01 0.43 112.91 117.72 1xl6 h THR 111 Ca 0.47 -0.31 -0.01 0.00 -0.01 0.00 0.00 66.41 66.54 1xl6 h THR 111 Cb 0.74 0.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.11 1xl6 h THR 111 CO -0.98 0.16 0.07 -0.07 -0.01 0.00 0.00 175.52 174.68 1xl6 h LEU 112 N 0.81 0.26 0.29 0.00 3.38 0.32 -2.92 115.31 117.45 1xl6 h LEU 112 Ca 0.22 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1xl6 h LEU 112 Cb -0.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1xl6 h LEU 112 CO -0.05 0.26 -0.14 0.58 0.09 0.00 0.00 178.44 179.19 1xl6 h VAL 113 N 0.30 0.00 -1.12 1.22 2.07 0.17 0.30 116.25 119.18 1xl6 h VAL 113 Ca 0.07 -0.02 0.33 0.00 0.82 0.00 0.00 66.70 67.90 1xl6 h VAL 113 Cb 0.09 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 1xl6 h VAL 113 CO -0.01 0.00 1.16 0.71 0.02 0.00 0.00 177.57 179.45 1xl6 h THR 114 N -0.42 0.05 0.01 2.57 1.35 -1.20 0.64 112.91 115.92 1xl6 h THR 114 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.72 1xl6 h THR 114 Cb 0.30 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.80 1xl6 h THR 114 CO 0.07 0.00 -0.54 0.25 -0.25 0.00 0.00 175.52 175.05 1xl6 h LEU 115 N 0.00 0.04 0.17 3.87 5.85 -1.26 -3.10 115.31 120.88 1xl6 h LEU 115 Ca 0.53 -0.83 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1xl6 h LEU 115 Cb 2.85 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 43.87 1xl6 h LEU 115 CO -0.01 1.22 -0.08 -0.08 -0.34 0.00 0.00 178.44 179.15 1xl6 h GLU 116 N -0.93 -0.22 -0.34 1.25 4.81 0.40 -1.65 114.58 117.91 1xl6 h GLU 116 Ca -0.14 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1xl6 h GLU 116 Cb 1.18 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1xl6 h GLU 116 CO -0.06 -0.09 0.07 0.00 -0.73 0.00 0.00 179.01 178.20 1xl6 h ALA 117 N 0.52 0.36 -0.98 2.92 0.00 -1.24 0.61 119.26 121.45 1xl6 h ALA 117 Ca -0.02 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1xl6 h ALA 117 Cb 0.23 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1xl6 h ALA 117 CO 0.04 -0.33 0.62 1.25 0.00 0.00 0.00 179.25 180.83 1xl6 h LEU 118 N 0.19 0.85 -0.19 0.00 5.85 -1.44 -0.15 115.31 120.42 1xl6 h LEU 118 Ca 0.16 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1xl6 h LEU 118 Cb 0.17 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1xl6 h LEU 118 CO -0.20 0.43 0.12 0.00 -0.34 0.00 0.00 178.44 178.45 1xl6 h GLY 120 N 0.25 0.00 0.29 0.00 0.00 0.38 0.17 103.07 104.17 1xl6 h GLY 120 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1xl6 h GLY 120 CO -0.01 0.00 -0.14 1.98 0.00 0.00 0.00 176.54 178.37 1xl6 h MET 121 N 0.00 -0.38 -0.92 4.80 -1.53 0.00 -2.07 114.93 114.84 1xl6 h MET 121 Ca 0.00 0.03 0.04 0.00 -3.44 0.00 0.00 59.70 56.33 1xl6 h MET 121 Cb 0.35 0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 31.43 1xl6 h MET 121 CO 0.00 -0.25 0.60 -0.07 0.14 0.00 0.00 176.91 177.33 1xl6 h LEU 122 N -0.68 0.98 -1.71 3.39 3.38 -1.39 0.30 115.31 119.58 1xl6 h LEU 122 Ca -0.04 -0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.18 1xl6 h LEU 122 Cb 0.30 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1xl6 h LEU 122 CO 0.07 0.67 0.67 1.23 0.09 0.00 0.00 178.44 181.16 1xl6 h GLY 123 N 1.13 0.53 0.58 0.83 0.00 -0.97 1.54 103.07 106.72 1xl6 h GLY 123 Ca 0.37 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.49 1xl6 h GLY 123 CO -0.12 -0.03 -0.42 -2.00 0.00 0.00 0.00 176.54 173.97 1xl6 h LEU 124 N 0.21 0.35 0.20 3.11 5.85 0.26 -1.61 115.31 123.69 1xl6 h LEU 124 Ca 0.50 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1xl6 h LEU 124 Cb 1.59 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 1xl6 h LEU 124 CO -0.12 1.10 -0.14 0.00 -0.34 0.00 0.00 178.44 178.94 1xl6 h ALA 125 N 0.26 -0.97 -0.58 1.25 0.00 0.26 -0.29 119.26 119.19 1xl6 h ALA 125 Ca -0.06 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xl6 h ALA 125 Cb 1.18 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 1xl6 h ALA 125 CO 0.08 -0.96 -0.56 0.28 0.00 0.00 0.00 179.25 178.09 1xl6 h VAL 126 N -0.33 0.00 -0.57 0.00 2.07 0.15 0.86 116.25 118.44 1xl6 h VAL 126 Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1xl6 h VAL 126 Cb 0.27 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1xl6 h VAL 126 CO 0.02 0.00 0.75 0.00 0.02 0.00 0.00 177.57 178.36 1xl6 h ALA 127 N 0.10 2.33 0.00 1.67 0.00 -1.18 0.05 119.26 122.23 1xl6 h ALA 127 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1xl6 h ALA 127 Cb 0.53 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1xl6 h ALA 127 CO -0.69 -1.04 -0.69 0.00 0.00 0.00 0.00 179.25 176.83 1xl6 h ALA 128 N 1.03 0.13 -0.23 0.00 0.00 0.24 -2.96 119.26 117.48 1xl6 h ALA 128 Ca 0.27 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 54.39 1xl6 h ALA 128 Cb 1.77 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.93 1xl6 h ALA 128 CO -0.00 0.41 -0.46 0.77 0.00 0.00 0.00 179.25 179.97 1xl6 h SER 129 N -1.00 -1.51 -0.28 0.00 0.02 0.11 -1.08 113.55 109.82 1xl6 h SER 129 Ca -0.17 0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1xl6 h SER 129 Cb 1.01 0.60 -0.05 0.00 0.14 0.00 0.00 62.40 64.11 1xl6 h SER 129 CO -0.11 -0.37 -0.30 -0.07 -1.14 0.00 0.00 176.83 174.84 1xl6 h LEU 130 N -0.41 -1.02 -1.87 5.07 3.38 -1.53 0.56 115.31 119.49 1xl6 h LEU 130 Ca 0.04 0.14 0.49 0.00 0.09 0.00 0.00 57.88 58.64 1xl6 h LEU 130 Cb 0.53 0.42 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1xl6 h LEU 130 CO -0.43 -0.19 1.17 0.40 0.09 0.00 0.00 178.44 179.48 1xl6 h ILE 131 N -0.17 0.12 0.00 1.22 2.04 -1.26 0.75 117.51 120.21 1xl6 h ILE 131 Ca 0.05 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 1xl6 h ILE 131 Cb 0.29 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1xl6 h ILE 131 CO -0.35 0.00 -0.29 0.22 0.00 0.00 0.00 178.15 177.73 1xl6 h TYR 132 N 0.02 0.00 -0.49 1.37 3.20 0.12 -2.50 116.97 118.69 1xl6 h TYR 132 Ca 0.83 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.76 1xl6 h TYR 132 Cb 3.18 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 41.36 1xl6 h TYR 132 CO -0.00 1.08 -0.55 0.00 -1.64 0.00 0.00 178.16 177.05 1xl6 h ALA 133 N -0.15 -0.70 -0.15 1.82 0.00 0.17 -0.94 119.26 119.30 1xl6 h ALA 133 Ca -0.08 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xl6 h ALA 133 Cb 1.04 1.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.93 1xl6 h ALA 133 CO -0.05 -1.02 -0.24 0.00 0.00 0.00 0.00 179.25 177.95 1xl6 h ARG 134 N -0.34 -0.18 0.00 0.00 3.08 -1.39 0.24 114.38 115.80 1xl6 h ARG 134 Ca 0.10 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1xl6 h ARG 134 Cb 0.57 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1xl6 h ARG 134 CO -0.65 -0.12 0.69 0.74 -1.07 0.00 0.00 179.97 179.57 1xl6 h PHE 135 N -0.18 0.00 -0.12 3.04 -1.00 -0.87 0.24 116.94 118.05 1xl6 h PHE 135 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1xl6 h PHE 135 Cb 0.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1xl6 h PHE 135 CO -0.63 0.00 0.00 0.25 -1.61 0.00 0.00 178.31 176.32 1xl6 n THR 136 N -1.96 1.52 -3.37 -1.55 -2.24 0.80 -4.72 114.28 102.76 1xl6 n THR 136 Ca -0.00 -1.55 -0.40 0.00 -2.27 0.00 0.00 64.05 59.82 1xl6 n THR 136 Cb 0.69 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1xl6 n THR 136 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xl6 n ARG 137 N -0.58 3.38 -2.29 -0.78 1.74 0.84 -4.99 116.66 113.97 1xl6 n ARG 137 Ca 0.11 -4.51 -0.34 0.00 -0.77 0.00 0.00 57.85 52.34 1xl6 n ARG 137 Cb 0.53 -2.47 -0.01 0.00 -1.02 0.00 0.00 32.46 29.49 1xl6 n ARG 137 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1xl6 s PRO 138 N -1.76 3.46 0.13 5.56 0.02 -1.26 -5.02 135.00 136.13 1xl6 s PRO 138 Ca 0.31 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.78 1xl6 s PRO 138 Cb -0.04 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1xl6 s PRO 138 CO -0.05 -0.73 0.29 -0.08 -0.33 0.00 0.00 177.00 176.11 1xl6 s THR 139 N -1.98 5.30 -0.17 0.99 -1.32 -1.26 -4.80 115.64 112.39 1xl6 s THR 139 Ca 0.69 -0.43 -0.09 0.00 -1.21 0.00 0.00 61.69 60.66 1xl6 s THR 139 Cb -0.20 -3.69 -0.05 0.00 -1.51 0.00 0.00 72.50 67.06 1xl6 s THR 139 CO 0.27 -0.02 0.12 0.00 -2.21 0.00 0.00 174.62 172.78 1xl6 s ALA 140 N -1.68 3.69 -0.64 11.08 0.00 -1.26 -4.94 121.76 128.00 1xl6 s ALA 140 Ca 0.36 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 1xl6 s ALA 140 Cb -0.12 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 20.97 1xl6 s ALA 140 CO 0.28 0.29 2.78 0.41 0.00 0.00 0.00 175.76 179.52 1xl6 n GLY 141 N 3.09 4.41 3.74 0.00 0.00 -1.26 -4.92 105.19 110.24 1xl6 n GLY 141 Ca -0.17 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 1xl6 n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xl6 s VAL 142 N -1.54 5.20 -0.19 1.61 1.01 -1.26 0.31 120.40 125.55 1xl6 s VAL 142 Ca 0.59 0.83 -0.08 0.00 0.00 0.00 0.00 61.98 63.32 1xl6 s VAL 142 Cb 0.33 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1xl6 s VAL 142 CO -0.17 0.37 0.07 -0.22 0.00 0.00 0.00 175.10 175.15 1xl6 s LEU 143 N 0.40 3.81 -0.09 3.92 2.96 0.19 -4.93 118.68 124.94 1xl6 s LEU 143 Ca 0.23 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 54.16 1xl6 s LEU 143 Cb -0.15 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1xl6 s LEU 143 CO 0.09 0.16 0.10 -0.36 -1.32 0.00 0.00 176.35 175.02 1xl6 s PHE 144 N 0.46 3.46 0.48 5.38 0.40 -1.26 -1.02 117.98 125.88 1xl6 s PHE 144 Ca 0.03 0.40 -0.23 0.00 -0.60 0.00 0.00 56.93 56.54 1xl6 s PHE 144 Cb -0.13 -1.87 -0.07 0.00 0.51 0.00 0.00 43.02 41.46 1xl6 s PHE 144 CO 0.01 0.65 1.29 -1.54 0.70 0.00 0.00 175.22 176.32 1xl6 s SER 145 N -1.14 5.81 0.53 1.36 1.04 -0.62 -4.91 113.70 115.77 1xl6 s SER 145 Ca 0.16 2.60 0.29 0.00 0.48 0.00 0.00 55.95 59.48 1xl6 s SER 145 Cb -0.12 -2.63 1.44 0.00 0.10 0.00 0.00 66.02 64.81 1xl6 s SER 145 CO 0.06 -1.19 2.04 0.77 0.98 0.00 0.00 173.24 175.91 1xl6 h SER 146 N 1.95 0.00 -3.10 7.02 4.64 -1.90 -3.45 113.55 118.71 1xl6 h SER 146 Ca -0.50 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.29 1xl6 h SER 146 Cb 1.27 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.23 1xl6 h SER 146 CO 0.59 0.11 -0.55 -0.13 -0.87 0.00 0.00 176.83 175.99 1xl6 s ARG 147 N -4.02 1.83 0.39 4.77 3.00 -1.26 -5.00 118.95 118.66 1xl6 s ARG 147 Ca -0.02 -2.09 0.06 0.00 0.00 0.00 0.00 55.73 53.68 1xl6 s ARG 147 Cb 0.12 -0.72 -0.07 0.00 0.00 0.00 0.00 34.95 34.28 1xl6 s ARG 147 CO 0.57 -0.37 0.02 -1.64 0.00 0.00 0.00 175.30 173.88 1xl6 s MET 148 N -3.79 1.90 -0.02 3.54 -1.94 -0.25 -4.74 119.30 114.00 1xl6 s MET 148 Ca 0.28 -2.08 -0.10 0.00 -1.71 0.00 0.00 55.69 52.07 1xl6 s MET 148 Cb 0.05 -1.45 0.01 0.00 2.01 0.00 0.00 34.83 35.45 1xl6 s MET 148 CO 0.14 -0.10 0.22 0.14 -0.01 0.00 0.00 175.02 175.41 1xl6 s VAL 149 N -2.86 0.06 -0.30 -6.03 -7.23 -0.56 -1.35 120.40 102.13 1xl6 s VAL 149 Ca 0.34 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 60.03 1xl6 s VAL 149 Cb 0.09 -0.48 0.09 0.00 0.56 0.00 0.00 36.38 36.63 1xl6 s VAL 149 CO 0.17 -0.28 0.01 -0.63 -0.31 0.00 0.00 175.10 174.06 1xl6 s ILE 150 N -1.12 1.95 0.31 -0.62 1.01 -1.07 0.12 121.20 121.78 1xl6 s ILE 150 Ca -0.12 -1.90 0.05 0.00 0.00 0.00 0.00 60.65 58.68 1xl6 s ILE 150 Cb -0.06 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1xl6 s ILE 150 CO 0.02 -0.42 0.28 -0.94 0.00 0.00 0.00 174.94 173.89 1xl6 s SER 151 N 1.11 1.37 0.20 3.58 1.04 -0.86 -1.20 113.70 118.94 1xl6 s SER 151 Ca 0.04 -1.67 -0.29 0.00 0.48 0.00 0.00 55.95 54.52 1xl6 s SER 151 Cb -0.19 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.39 1xl6 s SER 151 CO -0.09 -1.06 0.89 -1.81 0.98 0.00 0.00 173.24 172.15 1xl6 s ASP 152 N -3.33 7.55 -0.15 7.02 1.01 -1.26 0.84 116.67 128.36 1xl6 s ASP 152 Ca 0.39 1.84 -0.08 0.00 0.71 0.00 0.00 52.55 55.41 1xl6 s ASP 152 Cb 0.03 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.44 1xl6 s ASP 152 CO 0.25 0.15 0.36 0.12 0.21 0.00 0.00 175.17 176.26 1xl6 s PHE 153 N -1.04 -0.53 -1.57 4.23 5.36 -0.57 -4.89 117.98 118.97 1xl6 s PHE 153 Ca 0.40 1.15 -0.14 0.00 -0.96 0.00 0.00 56.93 57.38 1xl6 s PHE 153 Cb -0.25 0.20 0.10 0.00 -0.34 0.00 0.00 43.02 42.74 1xl6 s PHE 153 CO 0.30 -0.32 0.89 0.39 -1.46 0.00 0.00 175.22 175.02 1xl6 n GLU 154 N 4.28 -4.69 -2.69 10.12 -0.58 -1.26 -1.75 120.64 124.07 1xl6 n GLU 154 Ca -0.24 0.52 -0.15 0.00 -0.42 0.00 0.00 57.16 56.88 1xl6 n GLU 154 Cb 0.54 -5.31 0.02 0.00 -0.57 0.00 0.00 31.44 26.12 1xl6 n GLU 154 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xl6 n GLY 155 N -1.61 -0.12 3.38 0.62 0.00 -1.26 -5.02 105.19 101.17 1xl6 n GLY 155 Ca 0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 1xl6 n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl6 s LYS 156 N -5.22 0.78 0.15 1.61 1.02 -0.72 -5.12 119.74 112.25 1xl6 s LYS 156 Ca 0.17 0.22 -0.31 0.00 0.02 0.00 0.00 55.97 56.08 1xl6 s LYS 156 Cb -0.08 0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 37.51 1xl6 s LYS 156 CO 0.21 -0.20 1.45 -2.14 -0.92 0.00 0.00 175.35 173.76 1xl6 s PRO 157 N -0.81 4.28 -0.06 -1.68 0.02 -1.26 -1.51 135.00 133.98 1xl6 s PRO 157 Ca -0.09 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.14 1xl6 s PRO 157 Cb -0.03 -3.20 0.02 0.00 0.02 0.00 0.00 34.50 31.31 1xl6 s PRO 157 CO 0.05 -0.48 -0.07 0.99 -0.33 0.00 0.00 177.00 177.16 1xl6 s THR 158 N 0.90 0.80 -0.09 0.99 2.01 0.25 -0.37 115.64 120.12 1xl6 s THR 158 Ca 0.65 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 1xl6 s THR 158 Cb -0.40 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1xl6 s THR 158 CO 0.33 0.29 1.05 -0.22 -0.69 0.00 0.00 174.62 175.38 1xl6 s LEU 159 N 1.00 4.25 0.12 4.42 2.96 -0.05 -2.02 118.68 129.35 1xl6 s LEU 159 Ca -0.09 1.60 0.03 0.00 -0.22 0.00 0.00 54.13 55.44 1xl6 s LEU 159 Cb -0.14 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1xl6 s LEU 159 CO 0.00 -0.48 -0.08 -0.04 -1.32 0.00 0.00 176.35 174.44 1xl6 s MET 160 N 2.04 0.92 0.14 1.98 -1.94 0.12 0.31 119.30 122.87 1xl6 s MET 160 Ca 0.50 -1.38 -0.25 0.00 -1.71 0.00 0.00 55.69 52.85 1xl6 s MET 160 Cb -0.20 -0.37 0.07 0.00 2.01 0.00 0.00 34.83 36.34 1xl6 s MET 160 CO 0.19 0.02 0.89 0.00 -0.01 0.00 0.00 175.02 176.10 1xl6 s MET 161 N -3.80 1.20 0.11 2.03 0.23 -0.92 -1.49 119.30 116.65 1xl6 s MET 161 Ca 0.14 -0.61 -0.08 0.00 -1.03 0.00 0.00 55.69 54.11 1xl6 s MET 161 Cb 0.04 0.44 -0.01 0.00 -1.53 0.00 0.00 34.83 33.78 1xl6 s MET 161 CO -0.03 -0.54 0.20 -0.98 -2.03 0.00 0.00 175.02 171.64 1xl6 s ARG 162 N -3.37 0.91 0.01 3.16 1.70 -1.26 -0.30 118.95 119.81 1xl6 s ARG 162 Ca 0.10 -1.03 -0.01 0.00 -0.47 0.00 0.00 55.73 54.32 1xl6 s ARG 162 Cb -0.02 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.69 1xl6 s ARG 162 CO -0.01 -0.30 -0.01 -0.48 -1.08 0.00 0.00 175.30 173.43 1xl6 s LEU 163 N -2.89 2.13 0.15 -1.89 0.05 -0.29 -1.59 118.68 114.35 1xl6 s LEU 163 Ca 0.08 -0.39 0.08 0.00 0.05 0.00 0.00 54.13 53.95 1xl6 s LEU 163 Cb 0.05 0.15 -0.04 0.00 -2.05 0.00 0.00 46.19 44.30 1xl6 s LEU 163 CO -0.08 -0.27 -0.19 0.00 -0.55 0.00 0.00 176.35 175.27 1xl6 s ALA 164 N -1.24 1.97 -0.33 1.48 0.00 -0.19 -1.13 121.76 122.32 1xl6 s ALA 164 Ca -0.14 -1.44 -0.21 0.00 0.00 0.00 0.00 51.96 50.17 1xl6 s ALA 164 Cb -0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 1xl6 s ALA 164 CO -0.01 0.26 0.66 1.21 0.00 0.00 0.00 175.76 177.88 1xl6 s ASN 165 N -2.52 6.49 0.00 0.00 3.84 -0.82 -0.63 114.94 121.30 1xl6 s ASN 165 Ca 0.14 0.35 0.32 0.00 0.21 0.00 0.00 52.86 53.87 1xl6 s ASN 165 Cb -0.07 -2.34 1.83 0.00 -0.55 0.00 0.00 41.25 40.13 1xl6 s ASN 165 CO 0.06 -0.55 2.19 0.18 -2.79 0.00 0.00 177.10 176.20 1xl6 n LEU 166 N 6.00 0.05 -4.60 3.21 4.77 0.15 -4.85 117.00 121.74 1xl6 n LEU 166 Ca -0.00 0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.72 1xl6 n LEU 166 Cb 0.49 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1xl6 n LEU 166 CO 0.48 0.01 -0.27 -0.13 -1.33 0.00 0.00 177.39 176.15 1xl6 s ARG 167 N -2.07 1.92 0.03 3.23 0.52 -1.26 -5.04 118.95 116.29 1xl6 s ARG 167 Ca 0.45 -2.12 0.25 0.00 -0.52 0.00 0.00 55.73 53.79 1xl6 s ARG 167 Cb 0.22 -1.34 0.56 0.00 0.52 0.00 0.00 34.95 34.91 1xl6 s ARG 167 CO 0.38 -0.18 1.46 -0.89 0.02 0.00 0.00 175.30 176.09 1xl6 n ILE 168 N -0.95 0.10 -2.70 1.52 5.41 -1.26 -4.87 119.36 116.61 1xl6 n ILE 168 Ca -0.07 -0.07 -0.33 0.00 1.00 0.00 0.00 62.75 63.27 1xl6 n ILE 168 Cb 0.67 0.04 -0.06 0.00 -0.71 0.00 0.00 39.64 39.59 1xl6 n ILE 168 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1xl6 s GLU 169 N -3.04 4.07 0.06 0.38 0.41 -1.26 -5.04 118.70 114.28 1xl6 s GLU 169 Ca 0.10 1.18 -0.11 0.00 -0.41 0.00 0.00 54.97 55.74 1xl6 s GLU 169 Cb 0.17 -2.15 -0.06 0.00 -1.78 0.00 0.00 34.13 30.31 1xl6 s GLU 169 CO 0.68 -0.18 0.40 -0.65 -0.49 0.00 0.00 175.26 175.02 1xl6 s GLN 170 N -3.27 3.78 -0.28 1.61 -0.21 -1.26 -4.90 119.66 115.13 1xl6 s GLN 170 Ca 0.63 0.21 -0.08 0.00 0.02 0.00 0.00 55.36 56.14 1xl6 s GLN 170 Cb -0.11 -3.04 -0.01 0.00 1.00 0.00 0.00 33.01 30.85 1xl6 s GLN 170 CO 0.17 0.59 0.09 0.42 -2.12 0.00 0.00 175.29 174.43 1xl6 s ILE 171 N -1.34 4.24 -0.02 1.08 1.01 -0.97 -0.54 121.20 124.66 1xl6 s ILE 171 Ca 0.31 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 1xl6 s ILE 171 Cb -0.14 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1xl6 s ILE 171 CO 0.17 0.18 0.45 -0.63 0.00 0.00 0.00 174.94 175.11 1xl6 s ILE 172 N 1.57 5.03 -0.85 2.92 -1.09 0.47 -0.56 121.20 128.69 1xl6 s ILE 172 Ca 0.05 0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 59.37 1xl6 s ILE 172 Cb -0.16 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1xl6 s ILE 172 CO 0.04 0.50 0.73 -0.62 -1.23 0.00 0.00 174.94 174.36 1xl6 n GLU 173 N 2.35 -4.85 -2.21 2.79 1.02 0.08 -0.36 120.64 119.45 1xl6 n GLU 173 Ca -0.11 0.57 -0.41 0.00 -0.02 0.00 0.00 57.16 57.18 1xl6 n GLU 173 Cb 0.52 -4.78 -0.03 0.00 -0.02 0.00 0.00 31.44 27.13 1xl6 n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xl6 s ALA 174 N -3.23 3.53 -0.08 0.62 0.00 0.19 -4.49 121.76 118.29 1xl6 s ALA 174 Ca 0.16 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.25 1xl6 s ALA 174 Cb -0.07 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1xl6 s ALA 174 CO 0.49 -0.54 -0.13 -0.51 0.00 0.00 0.00 175.76 175.07 1xl6 s ASP 175 N 0.39 2.08 -0.03 0.00 1.01 0.51 0.97 116.67 121.60 1xl6 s ASP 175 Ca 0.57 -0.35 0.07 0.00 0.71 0.00 0.00 52.55 53.55 1xl6 s ASP 175 Cb -0.36 -0.93 -0.01 0.00 1.01 0.00 0.00 42.92 42.62 1xl6 s ASP 175 CO 0.38 0.02 -0.23 0.54 0.21 0.00 0.00 175.17 176.08 1xl6 s VAL 176 N 0.84 1.87 -0.10 -1.27 0.11 -0.27 -0.74 120.40 120.83 1xl6 s VAL 176 Ca -0.11 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 57.98 1xl6 s VAL 176 Cb -0.15 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.14 1xl6 s VAL 176 CO 0.01 0.53 -0.19 -1.00 -3.33 0.00 0.00 175.10 171.12 1xl6 s HIS 177 N -0.39 2.22 -0.33 1.54 3.76 -0.10 -4.75 115.29 117.24 1xl6 s HIS 177 Ca 0.04 -0.97 -0.02 0.00 -0.15 0.00 0.00 55.06 53.96 1xl6 s HIS 177 Cb -0.11 -1.53 0.07 0.00 1.11 0.00 0.00 32.58 32.12 1xl6 s HIS 177 CO 0.01 -0.44 0.07 -1.17 -0.85 0.00 0.00 174.74 172.35 1xl6 s LEU 178 N 0.66 4.34 -0.18 0.89 2.96 -1.26 -1.41 118.68 124.67 1xl6 s LEU 178 Ca -0.13 -1.52 -0.04 0.00 -0.22 0.00 0.00 54.13 52.22 1xl6 s LEU 178 Cb -0.16 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1xl6 s LEU 178 CO 0.03 -0.35 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.99 1xl6 s VAL 179 N 1.21 3.75 0.04 1.68 1.01 0.12 -2.06 120.40 126.15 1xl6 s VAL 179 Ca -0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1xl6 s VAL 179 Cb -0.21 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1xl6 s VAL 179 CO -0.02 0.46 0.92 -0.22 0.00 0.00 0.00 175.10 176.24 1xl6 s LEU 180 N 0.81 4.43 -0.25 3.92 2.96 0.12 -0.93 118.68 129.73 1xl6 s LEU 180 Ca -0.01 1.64 -0.01 0.00 -0.22 0.00 0.00 54.13 55.54 1xl6 s LEU 180 Cb -0.14 -3.49 0.07 0.00 0.50 0.00 0.00 46.19 43.13 1xl6 s LEU 180 CO 0.02 -0.14 0.02 -0.69 -1.32 0.00 0.00 176.35 174.24 1xl6 s VAL 181 N 0.46 1.05 0.20 1.68 1.01 -0.04 0.10 120.40 124.86 1xl6 s VAL 181 Ca 0.47 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1xl6 s VAL 181 Cb -0.22 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1xl6 s VAL 181 CO 0.27 -0.32 0.13 0.00 0.00 0.00 0.00 175.10 175.18 1xl6 s ARG 182 N 1.58 1.19 -0.14 2.72 1.70 -0.49 -1.84 118.95 123.69 1xl6 s ARG 182 Ca 0.01 -1.62 -0.21 0.00 -0.47 0.00 0.00 55.73 53.43 1xl6 s ARG 182 Cb -0.18 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 1xl6 s ARG 182 CO -0.12 -0.38 0.63 -1.12 -1.08 0.00 0.00 175.30 173.23 1xl6 s SER 183 N -3.16 6.79 0.35 -2.89 0.01 -0.74 0.53 113.70 114.60 1xl6 s SER 183 Ca 0.38 0.96 0.03 0.00 1.31 0.00 0.00 55.95 58.64 1xl6 s SER 183 Cb 0.07 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 1xl6 s SER 183 CO 0.12 -0.17 0.08 -1.61 0.41 0.00 0.00 173.24 172.07 1xl6 s GLU 184 N 1.27 1.75 -0.04 12.44 2.02 0.12 -4.78 118.70 131.48 1xl6 s GLU 184 Ca 0.31 -2.01 0.02 0.00 0.02 0.00 0.00 54.97 53.32 1xl6 s GLU 184 Cb -0.16 -0.77 0.01 0.00 0.10 0.00 0.00 34.13 33.31 1xl6 s GLU 184 CO 0.13 -0.30 -0.09 0.42 0.02 0.00 0.00 175.26 175.44 1xl6 s ILE 185 N -3.29 0.83 0.68 -1.63 1.01 -1.26 0.19 121.20 117.73 1xl6 s ILE 185 Ca 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1xl6 s ILE 185 Cb 0.06 -0.77 0.09 0.00 0.01 0.00 0.00 42.46 41.85 1xl6 s ILE 185 CO 0.15 0.27 0.95 -0.94 0.00 0.00 0.00 174.94 175.37 1xl6 s SER 186 N 0.49 4.67 0.17 3.58 1.04 0.90 -4.89 113.70 119.66 1xl6 s SER 186 Ca -0.08 -0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 1xl6 s SER 186 Cb -0.12 -0.55 0.10 0.00 0.10 0.00 0.00 66.02 65.55 1xl6 s SER 186 CO 0.01 -1.63 1.79 1.56 0.98 0.00 0.00 173.24 175.96 1xl6 h GLN 187 N -0.42 0.49 -0.04 4.02 4.20 -2.02 0.68 115.11 122.02 1xl6 h GLN 187 Ca -0.40 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1xl6 h GLN 187 Cb 1.29 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1xl6 h GLN 187 CO 0.48 0.32 0.00 0.39 -0.67 0.00 0.00 178.83 179.36 1xl6 n GLU 188 N -4.87 0.10 -2.34 1.46 4.71 -1.26 -4.70 120.64 113.73 1xl6 n GLU 188 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.99 1xl6 n GLU 188 Cb 0.10 -1.02 -0.01 0.00 -1.01 0.00 0.00 31.44 29.49 1xl6 n GLU 188 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xl6 n GLY 189 N -0.02 -0.32 3.70 0.62 0.00 0.23 -4.97 105.19 104.44 1xl6 n GLY 189 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xl6 n GLY 189 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xl6 s MET 190 N -4.94 4.13 -0.34 1.61 0.00 -1.24 -4.83 119.30 113.70 1xl6 s MET 190 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 55.69 55.28 1xl6 s MET 190 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 34.83 31.45 1xl6 s MET 190 CO 0.00 0.29 0.40 0.54 0.00 0.00 0.00 175.02 176.25 1xl6 s VAL 191 N 0.37 5.13 0.10 10.11 0.11 -1.26 -0.07 120.40 134.89 1xl6 s VAL 191 Ca 0.07 0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.35 1xl6 s VAL 191 Cb -0.11 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 30.86 1xl6 s VAL 191 CO -0.01 -0.10 -0.14 0.72 -3.33 0.00 0.00 175.10 172.24 1xl6 s PHE 192 N 2.12 1.33 -0.42 1.54 -0.12 0.13 -4.93 117.98 117.63 1xl6 s PHE 192 Ca 0.14 -0.51 -0.26 0.00 -0.05 0.00 0.00 56.93 56.25 1xl6 s PHE 192 Cb -0.16 -0.72 0.02 0.00 -0.63 0.00 0.00 43.02 41.53 1xl6 s PHE 192 CO 0.12 0.10 0.96 0.50 -0.05 0.00 0.00 175.22 176.85 1xl6 s ARG 193 N -2.21 3.70 0.12 1.99 6.06 -1.26 0.10 118.95 127.45 1xl6 s ARG 193 Ca 0.04 0.41 0.03 0.00 -2.50 0.00 0.00 55.73 53.71 1xl6 s ARG 193 Cb -0.07 -3.87 -0.04 0.00 0.06 0.00 0.00 34.95 31.03 1xl6 s ARG 193 CO 0.03 -1.12 0.13 0.50 -2.50 0.00 0.00 175.30 172.34 1xl6 s ARG 194 N 3.72 2.99 -0.09 5.12 6.06 0.19 -4.93 118.95 132.01 1xl6 s ARG 194 Ca 0.39 -0.73 0.01 0.00 -2.50 0.00 0.00 55.73 52.90 1xl6 s ARG 194 Cb -0.11 -2.75 -0.02 0.00 0.06 0.00 0.00 34.95 32.13 1xl6 s ARG 194 CO 0.24 0.53 -0.11 -0.06 -2.50 0.00 0.00 175.30 173.40 1xl6 s PHE 195 N -1.57 2.82 -0.11 5.12 0.40 -1.26 -1.39 117.98 121.99 1xl6 s PHE 195 Ca 0.31 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 1xl6 s PHE 195 Cb -0.11 -1.74 0.02 0.00 0.51 0.00 0.00 43.02 41.70 1xl6 s PHE 195 CO 0.24 0.10 -0.11 -1.01 0.70 0.00 0.00 175.22 175.14 1xl6 s HIS 196 N -0.36 1.65 -0.55 0.36 3.76 0.28 -4.96 115.29 115.47 1xl6 s HIS 196 Ca 0.04 -0.79 -0.23 0.00 -0.15 0.00 0.00 55.06 53.93 1xl6 s HIS 196 Cb -0.12 -1.27 0.04 0.00 1.11 0.00 0.00 32.58 32.34 1xl6 s HIS 196 CO 0.02 -0.47 0.89 -0.51 -0.85 0.00 0.00 174.74 173.82 1xl6 s ASP 197 N 1.31 6.32 0.06 1.40 1.01 -1.26 0.12 116.67 125.64 1xl6 s ASP 197 Ca -0.02 -0.45 -0.30 0.00 0.71 0.00 0.00 52.55 52.49 1xl6 s ASP 197 Cb -0.14 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1xl6 s ASP 197 CO -0.05 -1.18 1.16 -0.76 0.21 0.00 0.00 175.17 174.56 1xl6 s LEU 198 N 3.74 4.38 -0.02 1.23 1.43 -0.87 -4.99 118.68 123.57 1xl6 s LEU 198 Ca 0.28 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 1xl6 s LEU 198 Cb -0.14 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1xl6 s LEU 198 CO 0.18 -0.42 1.16 0.42 0.23 0.00 0.00 176.35 177.92 1xl6 s THR 199 N 0.93 4.32 0.08 5.49 -4.23 -1.26 -4.61 115.64 116.35 1xl6 s THR 199 Ca 0.57 1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 62.70 1xl6 s THR 199 Cb -0.28 -4.06 -0.05 0.00 1.34 0.00 0.00 72.50 69.45 1xl6 s THR 199 CO 0.30 0.05 0.28 -0.76 -0.54 0.00 0.00 174.62 173.95 1xl6 s LEU 200 N 1.77 4.33 0.00 4.79 1.43 -1.26 -4.21 118.68 125.52 1xl6 s LEU 200 Ca 0.55 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1xl6 s LEU 200 Cb -0.25 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1xl6 s LEU 200 CO 0.24 0.15 0.17 0.35 0.23 0.00 0.00 176.35 177.49 1xl6 n THR 201 N 0.41 0.00 0.00 5.49 -2.24 0.15 -4.41 114.28 113.68 1xl6 n THR 201 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1xl6 n THR 201 Cb 0.52 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1xl6 n THR 201 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1xl6 n ARG 202 N -0.42 0.00 -0.00 -0.78 0.63 -1.26 -5.03 116.66 109.80 1xl6 n ARG 202 Ca 0.00 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.99 1xl6 n ARG 202 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1xl6 n ARG 202 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1xl6 n SER 203 N 0.00 1.25 -4.33 6.15 3.41 -1.26 -4.78 113.62 114.06 1xl6 n SER 203 Ca 0.00 -0.43 -0.33 0.00 -0.26 0.00 0.00 58.87 57.85 1xl6 n SER 203 Cb 0.00 1.27 -0.15 0.00 -0.26 0.00 0.00 64.21 65.07 1xl6 n SER 203 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xl6 s ARG 204 N -2.51 3.33 -0.13 4.33 6.06 -1.26 -1.12 118.95 127.64 1xl6 s ARG 204 Ca 0.00 -0.71 0.03 0.00 -2.50 0.00 0.00 55.73 52.55 1xl6 s ARG 204 Cb 0.09 -2.63 0.01 0.00 0.06 0.00 0.00 34.95 32.48 1xl6 s ARG 204 CO 0.53 0.15 -0.22 0.45 -2.50 0.00 0.00 175.30 173.70 1xl6 s SER 205 N 0.51 3.10 0.09 -2.12 0.15 0.27 -4.98 113.70 110.73 1xl6 s SER 205 Ca -0.09 -0.60 -0.29 0.00 0.70 0.00 0.00 55.95 55.67 1xl6 s SER 205 Cb -0.16 -1.44 -0.15 0.00 -1.71 0.00 0.00 66.02 62.56 1xl6 s SER 205 CO 0.04 0.09 1.65 1.55 1.20 0.00 0.00 173.24 177.78 1xl6 h PRO 206 N 7.23 -0.57 -3.48 5.44 0.13 -1.92 0.54 132.00 139.37 1xl6 h PRO 206 Ca -0.30 0.04 -0.58 0.00 -0.87 0.00 0.00 66.00 64.28 1xl6 h PRO 206 Cb 1.20 0.13 -0.40 0.00 0.13 0.00 0.00 31.00 32.06 1xl6 h PRO 206 CO 0.54 -0.38 -0.76 0.42 -0.23 0.00 0.00 178.00 177.59 1xl6 s ILE 207 N -6.08 0.90 -0.73 -3.56 1.01 -1.26 -0.74 121.20 110.73 1xl6 s ILE 207 Ca -0.16 -1.51 -0.27 0.00 0.00 0.00 0.00 60.65 58.71 1xl6 s ILE 207 Cb 0.05 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.87 1xl6 s ILE 207 CO 0.64 -0.70 1.26 0.12 0.00 0.00 0.00 174.94 176.25 1xl6 s PHE 208 N 1.49 2.31 -0.08 3.97 5.36 0.27 -4.78 117.98 126.53 1xl6 s PHE 208 Ca 0.11 -0.06 0.02 0.00 -0.96 0.00 0.00 56.93 56.04 1xl6 s PHE 208 Cb -0.18 -4.61 -0.06 0.00 -0.34 0.00 0.00 43.02 37.83 1xl6 s PHE 208 CO -0.22 -2.04 -0.05 0.45 -1.46 0.00 0.00 175.22 171.89 1xl6 n SER 209 N 9.26 3.36 0.00 6.13 2.88 -1.26 -2.30 113.62 131.68 1xl6 n SER 209 Ca 0.03 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1xl6 n SER 209 Cb 0.49 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1xl6 n SER 209 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xl6 n LEU 210 N -2.63 0.00 -4.24 2.46 4.77 -1.26 -4.67 117.00 111.44 1xl6 n LEU 210 Ca -0.14 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.67 1xl6 n LEU 210 Cb 0.67 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.65 1xl6 n LEU 210 CO 0.10 0.00 -0.44 -0.55 -1.33 0.00 0.00 177.39 175.17 1xl6 s SER 211 N 1.00 1.92 -0.14 -1.43 0.15 -1.26 -1.94 113.70 111.99 1xl6 s SER 211 Ca 0.00 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 55.73 1xl6 s SER 211 Cb 0.00 -0.05 0.07 0.00 -1.71 0.00 0.00 66.02 64.33 1xl6 s SER 211 CO 0.00 -0.20 0.30 0.86 1.20 0.00 0.00 173.24 175.40 1xl6 s TRP 212 N -2.46 -0.49 -0.41 3.44 -0.00 -0.29 -4.99 118.94 113.75 1xl6 s TRP 212 Ca 0.11 1.07 -0.13 0.00 -0.00 0.00 0.00 56.10 57.14 1xl6 s TRP 212 Cb -0.03 0.05 0.03 0.00 -0.00 0.00 0.00 33.47 33.52 1xl6 s TRP 212 CO 0.02 -0.37 0.28 0.99 -0.00 0.00 0.00 176.95 177.87 1xl6 s THR 213 N 2.30 4.92 0.08 5.86 2.01 -1.26 -1.14 115.64 128.40 1xl6 s THR 213 Ca -0.01 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1xl6 s THR 213 Cb -0.12 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1xl6 s THR 213 CO -0.09 -0.34 1.01 -0.69 -0.69 0.00 0.00 174.62 173.82 1xl6 s VAL 214 N 1.61 4.48 -0.02 3.82 1.01 0.59 -4.92 120.40 126.97 1xl6 s VAL 214 Ca 0.04 1.94 0.04 0.00 0.00 0.00 0.00 61.98 63.99 1xl6 s VAL 214 Cb -0.20 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 1xl6 s VAL 214 CO 0.08 0.24 -0.13 -0.04 0.00 0.00 0.00 175.10 175.24 1xl6 s MET 215 N 0.41 1.23 -0.32 2.72 -1.94 -1.26 -2.16 119.30 117.98 1xl6 s MET 215 Ca 0.50 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 54.06 1xl6 s MET 215 Cb -0.24 -1.14 0.09 0.00 2.01 0.00 0.00 34.83 35.55 1xl6 s MET 215 CO 0.30 0.22 0.03 -1.58 -0.01 0.00 0.00 175.02 173.97 1xl6 s HIS 216 N -0.05 3.51 -0.07 -0.03 2.46 0.15 -0.67 115.29 120.59 1xl6 s HIS 216 Ca -0.00 -2.79 -0.30 0.00 0.47 0.00 0.00 55.06 52.45 1xl6 s HIS 216 Cb -0.08 -2.66 -0.05 0.00 -0.13 0.00 0.00 32.58 29.66 1xl6 s HIS 216 CO 0.01 -0.93 1.66 -2.14 -2.47 0.00 0.00 174.74 170.87 1xl6 s PRO 217 N 0.99 4.12 -1.06 2.88 0.02 -1.26 -0.88 135.00 139.82 1xl6 s PRO 217 Ca 0.07 2.13 -0.21 0.00 0.02 0.00 0.00 61.00 63.01 1xl6 s PRO 217 Cb -0.19 -4.00 0.07 0.00 0.02 0.00 0.00 34.50 30.40 1xl6 s PRO 217 CO -0.09 -0.92 1.46 0.42 -0.33 0.00 0.00 177.00 177.54 1xl6 s ILE 218 N 4.25 4.08 0.45 2.83 1.01 0.50 -4.79 121.20 129.53 1xl6 s ILE 218 Ca 0.74 -1.10 0.07 0.00 0.00 0.00 0.00 60.65 60.36 1xl6 s ILE 218 Cb -0.32 -5.04 -0.01 0.00 0.01 0.00 0.00 42.46 37.09 1xl6 s ILE 218 CO 0.30 -1.89 0.38 1.51 0.00 0.00 0.00 174.94 175.23 1xl6 s ASP 219 N 4.64 4.88 0.08 3.58 3.84 -1.26 -4.49 116.67 127.93 1xl6 s ASP 219 Ca 0.46 -0.90 0.03 0.00 -0.00 0.00 0.00 52.55 52.13 1xl6 s ASP 219 Cb -0.00 -0.30 0.15 0.00 -1.38 0.00 0.00 42.92 41.39 1xl6 s ASP 219 CO -0.07 -0.77 0.87 0.00 -0.00 0.00 0.00 175.17 175.20 1xl6 n HIS 220 N -1.59 0.09 1.08 2.11 1.44 -1.26 0.14 115.22 117.24 1xl6 n HIS 220 Ca 0.02 0.05 0.12 0.00 -2.01 0.00 0.00 57.72 55.90 1xl6 n HIS 220 Cb 0.63 -0.34 0.13 0.00 0.12 0.00 0.00 29.99 30.52 1xl6 n HIS 220 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1xl6 n HIS 221 N -1.44 0.00 -2.90 -1.40 8.25 -1.26 -4.96 115.22 111.51 1xl6 n HIS 221 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1xl6 n HIS 221 Cb 0.27 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 1xl6 n HIS 221 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xl6 s SER 222 N -2.56 7.45 0.00 0.41 0.15 0.38 -4.94 113.70 114.59 1xl6 s SER 222 Ca 0.19 1.72 0.09 0.00 0.70 0.00 0.00 55.95 58.65 1xl6 s SER 222 Cb 0.18 -2.53 0.39 0.00 -1.71 0.00 0.00 66.02 62.35 1xl6 s SER 222 CO 0.59 0.16 1.26 -2.65 1.20 0.00 0.00 173.24 173.80 1xl6 n PRO 223 N 1.76 0.02 -0.21 5.44 -0.02 -1.26 -1.79 135.00 138.95 1xl6 n PRO 223 Ca -0.04 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 1xl6 n PRO 223 Cb 0.48 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.62 1xl6 n PRO 223 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1xl6 n ILE 224 N -1.46 1.91 -2.18 4.25 -5.35 -1.26 -4.98 119.36 110.28 1xl6 n ILE 224 Ca 0.03 -2.43 -0.42 0.00 -0.27 0.00 0.00 62.75 59.65 1xl6 n ILE 224 Cb 0.10 -0.21 -0.03 0.00 -1.74 0.00 0.00 39.64 37.75 1xl6 n ILE 224 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1xl6 s TYR 225 N -2.88 3.11 0.00 4.28 5.04 -0.74 -2.30 117.35 123.87 1xl6 s TYR 225 Ca 0.33 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.86 1xl6 s TYR 225 Cb 0.29 -3.68 0.00 0.00 0.35 0.00 0.00 41.96 38.92 1xl6 s TYR 225 CO 0.00 -2.43 0.00 0.41 -1.34 0.00 0.00 175.55 172.20 1xl6 n GLY 226 N 3.55 0.80 3.87 8.97 0.00 -1.26 -5.02 105.19 116.10 1xl6 n GLY 226 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1xl6 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xl6 s GLU 227 N -0.16 2.13 0.19 1.61 0.41 -0.97 -5.08 118.70 116.83 1xl6 s GLU 227 Ca 0.00 0.30 -0.04 0.00 -0.41 0.00 0.00 54.97 54.82 1xl6 s GLU 227 Cb 0.00 -1.95 -0.03 0.00 -1.78 0.00 0.00 34.13 30.37 1xl6 s GLU 227 CO 0.00 -1.51 0.20 0.95 -0.49 0.00 0.00 175.26 174.40 1xl6 s THR 228 N -3.43 0.03 0.30 3.63 -4.23 -1.26 -5.00 115.64 105.68 1xl6 s THR 228 Ca 0.61 -1.80 0.05 0.00 -1.18 0.00 0.00 61.69 59.37 1xl6 s THR 228 Cb -0.12 -2.26 0.29 0.00 1.34 0.00 0.00 72.50 71.75 1xl6 s THR 228 CO 0.51 -0.14 1.79 -0.78 -0.54 0.00 0.00 174.62 175.46 1xl6 h ASP 229 N 2.60 0.82 -0.02 3.99 1.82 -1.98 0.24 116.42 123.89 1xl6 h ASP 229 Ca -0.33 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1xl6 h ASP 229 Cb 1.24 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.18 1xl6 h ASP 229 CO 0.51 0.33 0.00 -0.08 -1.61 0.00 0.00 179.24 178.38 1xl6 h GLU 230 N 0.82 0.03 -0.46 0.28 4.81 -1.99 -1.11 114.58 116.96 1xl6 h GLU 230 Ca 0.56 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.74 1xl6 h GLU 230 Cb 0.80 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1xl6 h GLU 230 CO -0.36 0.29 0.10 1.79 -0.73 0.00 0.00 179.01 180.11 1xl6 h THR 231 N -0.24 1.20 -0.38 0.32 1.35 -1.71 -1.61 112.91 111.84 1xl6 h THR 231 Ca 0.00 -0.73 -0.04 0.00 -0.55 0.00 0.00 66.41 65.09 1xl6 h THR 231 Cb 0.28 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 1xl6 h THR 231 CO 0.00 0.27 0.07 -0.07 -0.25 0.00 0.00 175.52 175.53 1xl6 h LEU 232 N 0.67 0.60 -1.13 3.87 3.38 -0.40 -2.92 115.31 119.37 1xl6 h LEU 232 Ca 0.15 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1xl6 h LEU 232 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xl6 h LEU 232 CO -0.00 0.71 0.02 0.03 0.09 0.00 0.00 178.44 179.29 1xl6 h ARG 233 N 0.48 0.63 -0.67 1.13 3.08 -0.79 -1.04 114.38 117.20 1xl6 h ARG 233 Ca 0.12 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1xl6 h ARG 233 Cb 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1xl6 h ARG 233 CO 0.01 0.63 0.38 -0.91 -1.07 0.00 0.00 179.97 179.01 1xl6 h ASN 234 N 0.60 0.82 -0.00 7.04 2.35 -1.13 0.05 115.58 125.31 1xl6 h ASN 234 Ca 0.13 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1xl6 h ASN 234 Cb 0.34 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1xl6 h ASN 234 CO 0.01 0.66 0.00 -1.54 -1.65 0.00 0.00 177.43 174.91 1xl6 n SER 235 N -4.54 0.11 -3.68 5.81 3.41 -1.12 -4.87 113.62 108.74 1xl6 n SER 235 Ca 0.05 -1.16 -0.21 0.00 -0.26 0.00 0.00 58.87 57.29 1xl6 n SER 235 Cb 0.07 -0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.06 1xl6 n SER 235 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xl6 n HIS 236 N -0.86 -2.00 -2.04 7.33 -0.00 0.00 -1.79 115.22 115.87 1xl6 n HIS 236 Ca 0.21 0.86 -0.40 0.00 0.46 0.00 0.00 57.72 58.85 1xl6 n HIS 236 Cb 0.11 -4.47 -0.01 0.00 -0.12 0.00 0.00 29.99 25.50 1xl6 n HIS 236 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xl6 s SER 237 N -4.25 6.57 0.07 0.26 0.01 -0.42 -4.69 113.70 111.24 1xl6 s SER 237 Ca 0.07 2.75 0.00 0.00 1.31 0.00 0.00 55.95 60.08 1xl6 s SER 237 Cb -0.03 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1xl6 s SER 237 CO 0.80 -0.68 -0.04 -1.61 0.41 0.00 0.00 173.24 172.12 1xl6 s GLU 238 N -1.97 0.69 -0.08 12.44 2.02 -0.76 -3.43 118.70 127.61 1xl6 s GLU 238 Ca 0.52 -1.26 0.01 0.00 0.02 0.00 0.00 54.97 54.26 1xl6 s GLU 238 Cb -0.41 0.06 0.02 0.00 0.10 0.00 0.00 34.13 33.90 1xl6 s GLU 238 CO 0.54 -0.08 -0.11 -0.06 0.02 0.00 0.00 175.26 175.57 1xl6 s PHE 239 N -3.80 1.54 -0.08 1.61 0.40 -0.21 -0.86 117.98 116.58 1xl6 s PHE 239 Ca 0.09 -0.65 0.01 0.00 -0.60 0.00 0.00 56.93 55.78 1xl6 s PHE 239 Cb 0.07 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 1xl6 s PHE 239 CO -0.08 -0.37 -0.09 -1.17 0.70 0.00 0.00 175.22 174.21 1xl6 s LEU 240 N 0.99 3.02 -0.11 -0.37 2.96 -0.11 -0.18 118.68 124.88 1xl6 s LEU 240 Ca -0.08 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1xl6 s LEU 240 Cb -0.15 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1xl6 s LEU 240 CO -0.00 0.32 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.53 1xl6 s VAL 241 N -0.57 1.33 -0.14 1.68 1.01 -0.31 0.14 120.40 123.53 1xl6 s VAL 241 Ca 0.08 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1xl6 s VAL 241 Cb -0.12 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1xl6 s VAL 241 CO 0.02 0.41 -0.18 -0.22 0.00 0.00 0.00 175.10 175.13 1xl6 s LEU 242 N 1.16 2.37 -0.06 3.92 2.96 -0.50 -1.68 118.68 126.84 1xl6 s LEU 242 Ca -0.04 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1xl6 s LEU 242 Cb -0.14 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1xl6 s LEU 242 CO -0.03 0.11 -0.19 0.12 -1.32 0.00 0.00 176.35 175.04 1xl6 s PHE 243 N 0.64 2.59 0.05 5.38 5.36 0.22 -0.92 117.98 131.30 1xl6 s PHE 243 Ca -0.09 -0.45 -0.04 0.00 -0.96 0.00 0.00 56.93 55.39 1xl6 s PHE 243 Cb -0.16 -1.64 -0.02 0.00 -0.34 0.00 0.00 43.02 40.86 1xl6 s PHE 243 CO 0.02 -0.04 0.05 0.95 -1.46 0.00 0.00 175.22 174.74 1xl6 s THR 244 N -0.35 0.16 0.00 0.12 -4.23 0.08 0.06 115.64 111.48 1xl6 s THR 244 Ca 0.03 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1xl6 s THR 244 Cb -0.12 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1xl6 s THR 244 CO 0.02 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 1xl6 n GLY 245 N 0.55 0.57 3.62 3.99 0.00 0.25 -0.36 105.19 113.81 1xl6 n GLY 245 Ca -0.17 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 1xl6 n GLY 245 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xl6 s HIS 246 N -2.00 3.27 -0.05 1.61 5.65 0.51 0.16 115.29 124.44 1xl6 s HIS 246 Ca 0.00 0.68 -0.19 0.00 0.25 0.00 0.00 55.06 55.80 1xl6 s HIS 246 Cb 0.00 -2.75 -0.05 0.00 -1.18 0.00 0.00 32.58 28.60 1xl6 s HIS 246 CO 0.00 -0.30 0.52 -1.58 -0.65 0.00 0.00 174.74 172.74 1xl6 s HIS 247 N 2.36 3.63 0.09 3.88 2.46 0.13 0.18 115.29 128.00 1xl6 s HIS 247 Ca 0.22 1.05 0.09 0.00 0.47 0.00 0.00 55.06 56.90 1xl6 s HIS 247 Cb -0.16 -2.54 -0.08 0.00 -0.13 0.00 0.00 32.58 29.67 1xl6 s HIS 247 CO 0.09 0.32 1.36 0.93 -2.47 0.00 0.00 174.74 174.97 1xl6 h GLU 248 N 5.91 0.00 0.14 2.88 5.08 -1.10 -1.39 114.58 126.11 1xl6 h GLU 248 Ca -0.45 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1xl6 h GLU 248 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1xl6 h GLU 248 CO 0.71 0.85 -0.38 0.00 -1.00 0.00 0.00 179.01 179.19 1xl6 h ALA 249 N 1.15 -0.68 -0.15 3.43 0.00 -1.92 -2.63 119.26 118.46 1xl6 h ALA 249 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xl6 h ALA 249 Cb 1.61 0.63 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1xl6 h ALA 249 CO 0.11 -0.94 0.00 1.19 0.00 0.00 0.00 179.25 179.61 1xl6 n PHE 250 N -5.45 0.18 -3.98 0.00 3.01 -1.25 -4.93 117.46 105.03 1xl6 n PHE 250 Ca -0.07 -0.09 -0.28 0.00 1.01 0.00 0.00 57.45 58.01 1xl6 n PHE 250 Cb 0.36 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.81 1xl6 n PHE 250 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xl6 n ALA 251 N 0.99 -2.13 -3.21 4.37 0.00 -0.56 -4.92 120.51 115.05 1xl6 n ALA 251 Ca 0.17 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1xl6 n ALA 251 Cb 0.51 -1.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 1xl6 n ALA 251 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xl6 s GLN 252 N -6.67 1.62 0.29 0.00 -0.21 -0.96 -4.99 119.66 108.75 1xl6 s GLN 252 Ca 0.10 -1.30 -0.18 0.00 0.02 0.00 0.00 55.36 54.00 1xl6 s GLN 252 Cb -0.04 0.48 -0.09 0.00 1.00 0.00 0.00 33.01 34.36 1xl6 s GLN 252 CO 0.91 -0.68 0.76 -0.80 -2.12 0.00 0.00 175.29 173.35 1xl6 s ASN 253 N -3.04 6.94 0.05 5.90 0.01 -1.26 0.18 114.94 123.71 1xl6 s ASN 253 Ca 0.22 1.40 -0.01 0.00 -0.71 0.00 0.00 52.86 53.76 1xl6 s ASN 253 Cb -0.01 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1xl6 s ASN 253 CO 0.10 -0.11 -0.01 0.68 -1.51 0.00 0.00 177.10 176.25 1xl6 s VAL 254 N -1.79 0.19 0.15 1.60 -7.23 0.12 -4.63 120.40 108.82 1xl6 s VAL 254 Ca 0.50 -1.58 -0.19 0.00 -1.81 0.00 0.00 61.98 58.90 1xl6 s VAL 254 Cb -0.13 -1.25 0.05 0.00 0.56 0.00 0.00 36.38 35.60 1xl6 s VAL 254 CO 0.19 -0.87 0.51 -1.38 -0.31 0.00 0.00 175.10 173.24 1xl6 s HIS 255 N -3.41 -0.34 -0.01 2.82 -3.43 -1.26 -0.58 115.29 109.07 1xl6 s HIS 255 Ca 0.02 0.07 -0.17 0.00 -0.80 0.00 0.00 55.06 54.17 1xl6 s HIS 255 Cb 0.04 0.42 0.03 0.00 -1.43 0.00 0.00 32.58 31.64 1xl6 s HIS 255 CO -0.08 -0.80 0.37 0.00 -2.00 0.00 0.00 174.74 172.23 1xl6 s ALA 256 N -3.79 -0.94 0.16 -1.38 0.00 0.11 -4.33 121.76 111.59 1xl6 s ALA 256 Ca 0.03 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1xl6 s ALA 256 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1xl6 s ALA 256 CO -0.11 -0.31 -0.00 -0.98 0.00 0.00 0.00 175.76 174.36 1xl6 s ARG 257 N -1.51 1.05 0.03 0.00 1.70 -1.26 0.70 118.95 119.66 1xl6 s ARG 257 Ca -0.12 -1.50 -0.27 0.00 -0.47 0.00 0.00 55.73 53.37 1xl6 s ARG 257 Cb -0.04 -0.22 0.09 0.00 -0.57 0.00 0.00 34.95 34.22 1xl6 s ARG 257 CO 0.04 -0.12 0.78 -1.58 -1.08 0.00 0.00 175.30 173.33 1xl6 s HIS 258 N -3.68 -0.45 0.05 5.89 2.46 -0.68 -4.44 115.29 114.44 1xl6 s HIS 258 Ca 0.22 0.42 0.03 0.00 0.47 0.00 0.00 55.06 56.19 1xl6 s HIS 258 Cb 0.06 0.52 -0.03 0.00 -0.13 0.00 0.00 32.58 33.00 1xl6 s HIS 258 CO 0.02 -0.63 -0.08 0.00 -2.47 0.00 0.00 174.74 171.58 1xl6 s ALA 259 N -2.85 0.70 0.14 1.58 0.00 0.15 -1.17 121.76 120.30 1xl6 s ALA 259 Ca 0.01 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.17 1xl6 s ALA 259 Cb -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1xl6 s ALA 259 CO -0.07 -0.02 -0.15 0.71 0.00 0.00 0.00 175.76 176.23 1xl6 s TYR 260 N -1.64 1.53 0.42 0.00 1.51 0.75 -4.47 117.35 115.46 1xl6 s TYR 260 Ca -0.06 -0.53 0.07 0.00 -1.01 0.00 0.00 57.07 55.53 1xl6 s TYR 260 Cb -0.08 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 1xl6 s TYR 260 CO 0.00 0.20 0.12 -1.54 -1.11 0.00 0.00 175.55 173.23 1xl6 s SER 261 N -2.54 4.24 0.19 2.29 1.04 -1.26 -1.04 113.70 116.63 1xl6 s SER 261 Ca 0.11 -1.22 -0.15 0.00 0.48 0.00 0.00 55.95 55.18 1xl6 s SER 261 Cb -0.05 -0.35 0.19 0.00 0.10 0.00 0.00 66.02 65.91 1xl6 s SER 261 CO 0.04 -0.56 1.65 0.00 0.98 0.00 0.00 173.24 175.35 1xl6 n ASP 263 N -5.36 0.08 -0.35 0.00 5.68 -1.26 -1.48 116.55 113.86 1xl6 n ASP 263 Ca 0.06 -0.93 0.04 0.00 -0.50 0.00 0.00 54.79 53.45 1xl6 n ASP 263 Cb 0.29 -0.04 0.09 0.00 -1.14 0.00 0.00 41.12 40.32 1xl6 n ASP 263 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xl6 n GLU 264 N -0.37 2.84 -3.52 0.11 1.02 -0.31 -4.91 120.64 115.50 1xl6 n GLU 264 Ca 0.00 -1.90 -0.42 0.00 -0.02 0.00 0.00 57.16 54.82 1xl6 n GLU 264 Cb 0.02 -1.21 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 1xl6 n GLU 264 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xl6 s ILE 265 N -1.23 4.75 -0.53 -3.67 1.01 -0.55 -1.09 121.20 119.90 1xl6 s ILE 265 Ca 0.15 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.46 1xl6 s ILE 265 Cb 0.09 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1xl6 s ILE 265 CO 0.08 -0.44 1.07 -0.63 0.00 0.00 0.00 174.94 175.02 1xl6 s ILE 266 N 1.56 4.23 -0.13 2.92 -1.09 -0.46 -4.93 121.20 123.29 1xl6 s ILE 266 Ca 0.03 0.79 -0.29 0.00 -2.23 0.00 0.00 60.65 58.95 1xl6 s ILE 266 Cb -0.22 -4.60 -0.01 0.00 -1.58 0.00 0.00 42.46 36.04 1xl6 s ILE 266 CO 0.06 -1.13 1.15 0.26 -1.23 0.00 0.00 174.94 174.05 1xl6 s TRP 267 N 4.39 3.18 0.00 3.97 0.52 -1.26 -2.56 118.94 127.18 1xl6 s TRP 267 Ca 0.40 1.27 0.00 0.00 0.02 0.00 0.00 56.10 57.79 1xl6 s TRP 267 Cb -0.09 -3.37 0.00 0.00 -1.15 0.00 0.00 33.47 28.86 1xl6 s TRP 267 CO 0.26 -1.07 0.00 0.41 0.02 0.00 0.00 176.95 176.57 1xl6 n GLY 268 N 3.38 2.20 3.63 0.98 0.00 -0.34 -4.94 105.19 110.10 1xl6 n GLY 268 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1xl6 n GLY 268 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xl6 s GLY 269 N -2.57 1.66 -0.08 -0.02 0.00 -1.06 -4.74 107.32 100.50 1xl6 s GLY 269 Ca 0.00 0.44 -0.04 0.00 0.00 0.00 0.00 44.72 45.12 1xl6 s GLY 269 CO 0.00 0.93 0.19 0.30 0.00 0.00 0.00 173.10 174.52 1xl6 s HIS 270 N -2.59 -0.24 0.62 1.90 3.76 -0.50 -4.36 115.29 113.87 1xl6 s HIS 270 Ca 0.67 0.62 -0.16 0.00 -0.15 0.00 0.00 55.06 56.04 1xl6 s HIS 270 Cb -0.23 -0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.40 1xl6 s HIS 270 CO 0.60 -0.20 1.11 -0.06 -0.85 0.00 0.00 174.74 175.33 1xl6 s PHE 271 N 1.28 2.69 0.19 1.40 0.40 -1.26 0.70 117.98 123.37 1xl6 s PHE 271 Ca -0.09 1.54 -0.14 0.00 -0.60 0.00 0.00 56.93 57.65 1xl6 s PHE 271 Cb -0.11 -3.18 -0.07 0.00 0.51 0.00 0.00 43.02 40.17 1xl6 s PHE 271 CO -0.07 -1.57 0.59 0.14 0.70 0.00 0.00 175.22 175.00 1xl6 s VAL 272 N -2.21 4.82 0.24 -0.44 -7.23 -0.09 -4.73 120.40 110.77 1xl6 s VAL 272 Ca 0.68 0.82 -0.31 0.00 -1.81 0.00 0.00 61.98 61.36 1xl6 s VAL 272 Cb -0.21 -3.72 -0.13 0.00 0.56 0.00 0.00 36.38 32.89 1xl6 s VAL 272 CO 0.37 0.14 1.51 -0.67 -0.31 0.00 0.00 175.10 176.14 1xl6 n ASP 273 N 0.52 3.22 -0.09 4.85 2.03 -1.26 -4.91 116.55 120.90 1xl6 n ASP 273 Ca -0.03 1.13 -0.09 0.00 0.52 0.00 0.00 54.79 56.31 1xl6 n ASP 273 Cb 0.52 -1.49 -0.15 0.00 -0.72 0.00 0.00 41.12 39.28 1xl6 n ASP 273 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1xl6 n VAL 274 N 2.37 1.31 -0.88 5.18 0.24 -1.26 -4.53 118.33 120.76 1xl6 n VAL 274 Ca 0.12 -0.82 -0.29 0.00 -2.04 0.00 0.00 64.34 61.31 1xl6 n VAL 274 Cb 0.33 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 1xl6 n VAL 274 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1xl6 n PHE 275 N -2.71 1.56 -2.19 6.34 3.01 -1.26 -1.40 117.46 120.81 1xl6 n PHE 275 Ca -0.31 -1.93 -0.37 0.00 1.01 0.00 0.00 57.45 55.85 1xl6 n PHE 275 Cb 1.12 -1.70 -0.03 0.00 -0.01 0.00 0.00 39.48 38.86 1xl6 n PHE 275 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1xl6 s THR 276 N 3.90 3.49 -0.75 4.37 -4.23 -1.24 -4.85 115.64 116.33 1xl6 s THR 276 Ca 0.45 0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.78 1xl6 s THR 276 Cb 0.12 -4.24 0.05 0.00 1.34 0.00 0.00 72.50 69.76 1xl6 s THR 276 CO 0.01 -1.19 1.20 -0.89 -0.54 0.00 0.00 174.62 173.21 1xl6 s THR 277 N 8.27 3.96 -0.80 3.99 2.01 -1.26 -3.90 115.64 127.92 1xl6 s THR 277 Ca 0.59 -0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.52 1xl6 s THR 277 Cb -0.10 -4.86 0.20 0.00 0.01 0.00 0.00 72.50 67.76 1xl6 s THR 277 CO 0.13 -1.73 0.68 -0.76 -0.69 0.00 0.00 174.62 172.24 1xl6 s LEU 278 N 5.03 5.75 0.38 4.42 1.43 -1.25 -4.95 118.68 129.50 1xl6 s LEU 278 Ca 0.32 -3.17 -0.27 0.00 -1.03 0.00 0.00 54.13 49.98 1xl6 s LEU 278 Cb -0.10 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1xl6 s LEU 278 CO 0.10 -0.34 1.31 -2.84 0.23 0.00 0.00 176.35 174.81 1xl6 s PRO 279 N -0.54 4.10 0.00 1.29 0.02 -1.25 -4.13 135.00 134.49 1xl6 s PRO 279 Ca 0.22 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1xl6 s PRO 279 Cb -0.13 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.52 1xl6 s PRO 279 CO -0.08 -0.39 0.00 -0.40 -0.33 0.00 0.00 177.00 175.80 1xl6 n ASP 280 N 0.36 0.00 0.00 2.53 5.68 -1.26 -4.87 116.55 118.99 1xl6 n ASP 280 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1xl6 n ASP 280 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1xl6 n ASP 280 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xl6 n GLY 281 N 0.00 -0.16 0.00 6.12 0.00 -1.26 -5.17 105.19 104.72 1xl6 n GLY 281 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xl6 n GLY 281 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xl6 n ARG 282 N 0.00 0.00 -3.09 1.61 1.85 -1.26 -5.14 116.66 110.63 1xl6 n ARG 282 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 1xl6 n ARG 282 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 1xl6 n ARG 282 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1xl6 s ARG 283 N -2.00 4.41 0.00 2.89 3.52 -1.26 -3.88 118.95 122.63 1xl6 s ARG 283 Ca 0.00 0.79 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 1xl6 s ARG 283 Cb 0.00 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1xl6 s ARG 283 CO 0.00 0.07 0.00 0.00 -0.81 0.00 0.00 175.30 174.56 1xl6 n ALA 284 N 3.82 0.00 -3.74 6.12 0.00 -1.25 -4.99 120.51 120.47 1xl6 n ALA 284 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1xl6 n ALA 284 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 1xl6 n ALA 284 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xl6 s LEU 285 N 0.00 0.63 -0.23 0.00 2.96 -1.26 -3.62 118.68 117.15 1xl6 s LEU 285 Ca 0.00 0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1xl6 s LEU 285 Cb 0.00 0.46 0.02 0.00 0.50 0.00 0.00 46.19 47.18 1xl6 s LEU 285 CO 0.00 -0.15 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.16 1xl6 s ASP 286 N 1.20 4.08 0.00 3.68 -1.08 -0.49 -4.94 116.67 119.12 1xl6 s ASP 286 Ca -0.09 -0.81 0.16 0.00 -0.52 0.00 0.00 52.55 51.29 1xl6 s ASP 286 Cb -0.11 -1.63 0.50 0.00 -1.46 0.00 0.00 42.92 40.22 1xl6 s ASP 286 CO -0.07 -0.09 1.39 0.18 0.52 0.00 0.00 175.17 177.10 1xl6 n LEU 287 N 4.66 2.01 0.13 -1.34 4.77 -1.26 -3.51 117.00 122.46 1xl6 n LEU 287 Ca -0.17 -0.95 0.02 0.00 -0.03 0.00 0.00 56.01 54.88 1xl6 n LEU 287 Cb 0.48 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1xl6 n LEU 287 CO 0.26 0.47 0.41 1.23 -1.33 0.00 0.00 177.39 178.44 1xl6 h GLY 288 N 5.06 0.00 -2.40 -0.72 0.00 -1.97 -3.01 103.07 100.03 1xl6 h GLY 288 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xl6 h GLY 288 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1xl6 n LYS 289 N -3.20 2.52 -0.31 4.80 5.02 -1.23 -4.57 118.16 121.20 1xl6 n LYS 289 Ca 0.01 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.94 1xl6 n LYS 289 Cb 0.74 -1.52 0.13 0.00 -0.02 0.00 0.00 35.03 34.37 1xl6 n LYS 289 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1xl6 h PHE 290 N 3.98 0.98 -0.48 2.13 3.57 -1.67 -1.75 116.94 123.70 1xl6 h PHE 290 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xl6 h PHE 290 Cb 0.90 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1xl6 h PHE 290 CO 0.40 0.51 0.00 0.72 -2.23 0.00 0.00 178.31 177.72 1xl6 n HIS 291 N -4.61 0.84 -2.49 0.41 8.25 -1.26 -4.89 115.22 111.47 1xl6 n HIS 291 Ca 0.12 -0.37 -0.43 0.00 -0.26 0.00 0.00 57.72 56.78 1xl6 n HIS 291 Cb 0.15 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 1xl6 n HIS 291 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xl6 s GLU 292 N -1.52 4.25 -0.11 -0.41 0.41 -0.66 -4.89 118.70 115.77 1xl6 s GLU 292 Ca 0.34 1.58 0.02 0.00 -0.41 0.00 0.00 54.97 56.50 1xl6 s GLU 292 Cb 0.20 -3.71 0.01 0.00 -1.78 0.00 0.00 34.13 28.85 1xl6 s GLU 292 CO 0.20 -0.66 -0.15 0.42 -0.49 0.00 0.00 175.26 174.58 1xl6 s ILE 293 N 3.31 1.49 0.12 -1.63 1.01 -1.26 -0.91 121.20 123.33 1xl6 s ILE 293 Ca 0.52 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 60.34 1xl6 s ILE 293 Cb -0.20 -1.37 -0.07 0.00 0.01 0.00 0.00 42.46 40.83 1xl6 s ILE 293 CO 0.13 0.44 0.61 0.00 0.00 0.00 0.00 174.94 176.12 1xl6 s ALA 294 N 0.98 3.55 -0.02 9.38 0.00 0.22 -4.84 121.76 131.03 1xl6 s ALA 294 Ca -0.07 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 1xl6 s ALA 294 Cb -0.15 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1xl6 s ALA 294 CO -0.01 0.39 0.14 -0.65 0.00 0.00 0.00 175.76 175.62 1xl6 s GLN 295 N -1.43 0.38 0.01 0.00 -0.21 -1.26 -1.41 119.66 115.73 1xl6 s GLN 295 Ca 0.34 -0.21 -0.23 0.00 0.02 0.00 0.00 55.36 55.27 1xl6 s GLN 295 Cb -0.18 0.16 -0.05 0.00 1.00 0.00 0.00 33.01 33.94 1xl6 s GLN 295 CO 0.20 -0.08 0.71 -1.58 -2.12 0.00 0.00 175.29 172.41 1xl6 s HIS 296 N -0.92 3.68 -0.15 0.91 5.65 -1.26 -5.05 115.29 118.15 1xl6 s HIS 296 Ca -0.10 1.35 -0.04 0.00 0.25 0.00 0.00 55.06 56.52 1xl6 s HIS 296 Cb -0.06 -2.76 -0.03 0.00 -1.18 0.00 0.00 32.58 28.55 1xl6 s HIS 296 CO 0.01 0.25 -0.04 -1.01 -0.65 0.00 0.00 174.74 173.30 1xl6 s HIS 297 N 0.12 3.03 -0.01 3.88 0.09 -1.26 -5.09 115.29 116.04 1xl6 s HIS 297 Ca 0.36 -0.28 -0.25 0.00 -0.00 0.00 0.00 55.06 54.90 1xl6 s HIS 297 Cb -0.19 -1.95 -0.04 0.00 -0.00 0.00 0.00 32.58 30.40 1xl6 s HIS 297 CO 0.20 -0.01 0.75 -1.01 -0.00 0.00 0.00 174.74 174.67 1xl6 s HIS 298 N 0.30 3.66 -0.27 1.40 3.76 -1.26 -4.99 115.29 117.89 1xl6 s HIS 298 Ca -0.03 1.39 -0.40 0.00 -0.15 0.00 0.00 55.06 55.87 1xl6 s HIS 298 Cb -0.14 -2.84 -0.15 0.00 1.11 0.00 0.00 32.58 30.56 1xl6 s HIS 298 CO 0.03 0.16 1.75 0.72 -0.85 0.00 0.00 174.74 176.55 1xl6 n HIS 299 N 3.35 2.06 -1.99 1.40 8.25 -1.26 -4.98 115.22 122.05 1xl6 n HIS 299 Ca -0.01 0.52 -0.29 0.00 -0.26 0.00 0.00 57.72 57.68 1xl6 n HIS 299 Cb 0.51 -2.47 0.06 0.00 1.12 0.00 0.00 29.99 29.21 1xl6 n HIS 299 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xl6 s HIS 300 N 3.54 3.16 0.00 4.41 3.76 -1.26 -5.36 115.29 123.54 1xl6 s HIS 300 Ca 0.98 0.84 0.00 0.00 -0.15 0.00 0.00 55.06 56.73 1xl6 s HIS 300 Cb -1.06 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 29.47 1xl6 s HIS 300 CO 0.65 -1.33 0.36 0.72 -0.85 0.00 0.00 174.74 174.30