#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7k s VAL 2 N 0.00 0.15 0.16 2.03 -7.23 -1.26 -0.60 120.40 113.64 2a7k s VAL 2 Ca 0.00 -1.25 0.10 0.00 -1.81 0.00 0.00 61.98 59.02 2a7k s VAL 2 Cb 0.00 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 2a7k s VAL 2 CO 0.00 -0.69 -0.21 0.72 -0.31 0.00 0.00 175.10 174.61 2a7k s PHE 3 N -2.67 2.41 -0.14 2.82 -0.71 0.12 -4.89 117.98 114.92 2a7k s PHE 3 Ca -0.05 -0.32 0.02 0.00 -1.04 0.00 0.00 56.93 55.54 2a7k s PHE 3 Cb -0.01 -1.24 0.00 0.00 -1.21 0.00 0.00 43.02 40.57 2a7k s PHE 3 CO -0.05 0.44 -0.20 -1.21 -1.34 0.00 0.00 175.22 172.86 2a7k s GLU 4 N -2.42 3.10 0.13 1.99 2.02 -1.26 -0.95 118.70 121.31 2a7k s GLU 4 Ca 0.19 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.38 2a7k s GLU 4 Cb -0.09 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 2a7k s GLU 4 CO 0.10 0.04 -0.05 -1.21 0.02 0.00 0.00 175.26 174.16 2a7k s GLU 5 N 0.71 0.97 -0.07 1.61 2.02 0.39 -4.98 118.70 119.35 2a7k s GLU 5 Ca -0.09 -1.42 0.03 0.00 0.02 0.00 0.00 54.97 53.51 2a7k s GLU 5 Cb -0.16 -0.29 0.01 0.00 0.10 0.00 0.00 34.13 33.79 2a7k s GLU 5 CO 0.01 -0.05 -0.14 -0.80 0.02 0.00 0.00 175.26 174.30 2a7k s ASN 6 N -3.11 1.97 -0.79 -0.19 0.01 -1.26 0.56 114.94 112.13 2a7k s ASN 6 Ca 0.17 -0.33 -0.04 0.00 -0.71 0.00 0.00 52.86 51.95 2a7k s ASN 6 Cb 0.05 -0.86 0.20 0.00 0.41 0.00 0.00 41.25 41.05 2a7k s ASN 6 CO -0.01 0.06 0.65 -0.55 -1.51 0.00 0.00 177.10 175.75 2a7k s SER 7 N 0.53 5.81 1.05 -1.22 0.15 0.31 -4.99 113.70 115.35 2a7k s SER 7 Ca -0.14 -3.27 0.00 0.00 0.70 0.00 0.00 55.95 53.25 2a7k s SER 7 Cb -0.15 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2a7k s SER 7 CO 0.04 -0.30 0.00 0.47 1.20 0.00 0.00 173.24 174.65 2a7k n ASP 8 N 2.97 0.00 -0.07 5.45 8.00 -1.26 -1.26 116.55 130.38 2a7k n ASP 8 Ca 0.15 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.81 2a7k n ASP 8 Cb 0.38 0.00 0.80 0.00 -0.02 0.00 0.00 41.12 42.29 2a7k n ASP 8 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2a7k n GLU 9 N 5.39 0.90 -3.42 -1.24 0.00 -1.26 -4.72 120.64 116.29 2a7k n GLU 9 Ca 0.00 -0.15 -0.40 0.00 0.00 0.00 0.00 57.16 56.61 2a7k n GLU 9 Cb 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 29.85 2a7k n GLU 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2a7k s VAL 10 N -2.20 5.19 -0.14 3.84 1.01 -0.39 0.13 120.40 127.83 2a7k s VAL 10 Ca 0.40 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.36 2a7k s VAL 10 Cb 0.21 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2a7k s VAL 10 CO 0.40 0.02 0.74 -0.60 0.00 0.00 0.00 175.10 175.67 2a7k s ARG 11 N 2.00 4.32 -0.26 2.72 6.06 -0.20 -0.53 118.95 133.06 2a7k s ARG 11 Ca 0.12 0.87 -0.06 0.00 -2.50 0.00 0.00 55.73 54.16 2a7k s ARG 11 Cb -0.16 -3.54 -0.01 0.00 0.06 0.00 0.00 34.95 31.30 2a7k s ARG 11 CO 0.11 -0.18 0.05 0.08 -2.50 0.00 0.00 175.30 172.85 2a7k s VAL 12 N 1.67 3.95 -0.30 7.11 1.01 0.19 -0.45 120.40 133.58 2a7k s VAL 12 Ca 0.36 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 2a7k s VAL 12 Cb -0.17 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2a7k s VAL 12 CO 0.14 0.26 0.10 -0.63 0.00 0.00 0.00 175.10 174.97 2a7k s ILE 13 N 1.54 4.10 -0.23 2.22 1.01 0.78 -0.47 121.20 130.16 2a7k s ILE 13 Ca 0.05 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 2a7k s ILE 13 Cb -0.16 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2a7k s ILE 13 CO 0.01 0.05 0.08 -0.89 0.00 0.00 0.00 174.94 174.20 2a7k s THR 14 N 1.52 4.61 0.18 2.92 2.01 -0.13 -1.23 115.64 125.53 2a7k s THR 14 Ca 0.03 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 2a7k s THR 14 Cb -0.17 -3.13 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 2a7k s THR 14 CO 0.03 0.38 1.24 -0.76 -0.69 0.00 0.00 174.62 174.82 2a7k s LEU 15 N 1.13 4.43 -0.32 4.42 1.43 -0.07 -0.70 118.68 129.00 2a7k s LEU 15 Ca 0.05 2.29 0.18 0.00 -1.03 0.00 0.00 54.13 55.62 2a7k s LEU 15 Cb -0.14 -3.61 0.46 0.00 0.03 0.00 0.00 46.19 42.93 2a7k s LEU 15 CO 0.04 -0.44 0.99 -0.67 0.23 0.00 0.00 176.35 176.49 2a7k n ASP 16 N 2.62 1.27 -4.75 2.29 2.03 0.23 -4.44 116.55 115.80 2a7k n ASP 16 Ca 0.05 -2.64 -0.38 0.00 0.52 0.00 0.00 54.79 52.34 2a7k n ASP 16 Cb 0.44 -0.44 0.05 0.00 -0.72 0.00 0.00 41.12 40.44 2a7k n ASP 16 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2a7k s HIS 17 N -3.00 2.23 0.40 -0.67 5.65 -1.23 -4.56 115.29 114.11 2a7k s HIS 17 Ca 0.27 1.37 0.16 0.00 0.25 0.00 0.00 55.06 57.11 2a7k s HIS 17 Cb 0.45 -3.82 1.03 0.00 -1.18 0.00 0.00 32.58 29.06 2a7k s HIS 17 CO 0.03 -2.99 1.83 -1.35 -0.65 0.00 0.00 174.74 171.60 2a7k h PRO 18 N 1.36 0.45 -6.55 2.88 0.11 -1.98 -3.40 132.00 124.86 2a7k h PRO 18 Ca -0.51 -0.03 -0.52 0.00 0.11 0.00 0.00 66.00 65.05 2a7k h PRO 18 Cb 1.31 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2a7k h PRO 18 CO 0.57 0.30 0.37 1.21 -0.21 0.00 0.00 178.00 180.23 2a7k s ASN 19 N -5.52 7.47 0.00 -2.05 3.84 -1.26 -4.96 114.94 112.46 2a7k s ASN 19 Ca -0.09 1.79 0.19 0.00 0.21 0.00 0.00 52.86 54.97 2a7k s ASN 19 Cb 0.24 -2.59 1.01 0.00 -0.55 0.00 0.00 41.25 39.36 2a7k s ASN 19 CO 0.79 -0.10 1.60 2.29 -2.79 0.00 0.00 177.10 178.89 2a7k n LYS 20 N 2.90 0.33 -0.01 0.43 2.85 -1.26 -1.88 118.16 121.53 2a7k n LYS 20 Ca 0.03 0.09 0.13 0.00 -1.05 0.00 0.00 58.31 57.50 2a7k n LYS 20 Cb 0.49 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.66 2a7k n LYS 20 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2a7k n HIS 21 N -1.24 0.02 -3.67 5.58 8.25 -1.26 -1.09 115.22 121.82 2a7k n HIS 21 Ca 0.10 -0.01 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 2a7k n HIS 21 Cb 0.14 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.29 2a7k n HIS 21 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2a7k n ASN 22 N 0.84 -2.02 -4.77 0.41 3.02 -0.79 -0.52 115.26 111.44 2a7k n ASN 22 Ca 0.16 -0.84 -0.41 0.00 -0.03 0.00 0.00 54.58 53.47 2a7k n ASN 22 Cb 0.49 -4.06 -0.01 0.00 -0.61 0.00 0.00 39.78 35.59 2a7k n ASN 22 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2a7k s PRO 23 N -5.86 4.15 -1.16 3.52 0.04 -1.26 -4.02 135.00 130.41 2a7k s PRO 23 Ca 0.09 2.52 -0.21 0.00 0.04 0.00 0.00 61.00 63.44 2a7k s PRO 23 Cb -0.02 -3.00 0.04 0.00 0.04 0.00 0.00 34.50 31.56 2a7k s PRO 23 CO 0.81 -0.51 1.67 -0.06 0.04 0.00 0.00 177.00 178.95 2a7k s PHE 24 N -0.86 2.54 0.77 0.56 0.08 -0.06 -4.81 117.98 116.20 2a7k s PHE 24 Ca 0.55 -0.98 -0.12 0.00 0.12 0.00 0.00 56.93 56.50 2a7k s PHE 24 Cb -0.46 -4.62 0.06 0.00 -0.57 0.00 0.00 43.02 37.43 2a7k s PHE 24 CO 0.58 -1.80 1.12 -1.54 -0.10 0.00 0.00 175.22 173.49 2a7k s SER 25 N 4.99 4.81 0.20 1.36 1.04 -1.26 -4.53 113.70 120.30 2a7k s SER 25 Ca 0.54 1.05 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 2a7k s SER 25 Cb 0.01 -1.72 0.21 0.00 0.10 0.00 0.00 66.02 64.63 2a7k s SER 25 CO 0.01 -1.74 1.77 -0.09 0.98 0.00 0.00 173.24 174.17 2a7k h ARG 26 N -0.93 0.46 -0.31 4.02 2.43 -1.99 -1.01 114.38 117.04 2a7k h ARG 26 Ca -0.46 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2a7k h ARG 26 Cb 1.29 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2a7k h ARG 26 CO 0.63 0.31 0.17 1.15 -1.51 0.00 0.00 179.97 180.72 2a7k h THR 27 N 0.48 1.13 -0.62 0.20 2.02 -1.97 -1.34 112.91 112.81 2a7k h THR 27 Ca 0.27 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2a7k h THR 27 Cb 0.25 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2a7k h THR 27 CO -0.23 0.14 0.17 0.25 0.37 0.00 0.00 175.52 176.22 2a7k h LEU 28 N 0.38 0.92 -0.27 2.58 5.85 -1.76 -1.55 115.31 121.45 2a7k h LEU 28 Ca 0.11 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2a7k h LEU 28 Cb 0.07 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 2a7k h LEU 28 CO -0.02 0.90 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.59 2a7k h GLU 29 N 0.89 0.02 -0.46 1.25 5.08 -0.99 -1.43 114.58 118.94 2a7k h GLU 29 Ca 0.20 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2a7k h GLU 29 Cb 0.32 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2a7k h GLU 29 CO -0.00 0.01 0.21 1.15 -1.00 0.00 0.00 179.01 179.38 2a7k h THR 30 N 0.02 1.19 -0.87 1.13 2.02 -0.93 0.94 112.91 116.41 2a7k h THR 30 Ca 0.13 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.76 2a7k h THR 30 Cb 0.19 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 2a7k h THR 30 CO -0.27 0.21 0.57 0.28 0.37 0.00 0.00 175.52 176.69 2a7k h SER 31 N 0.60 0.99 -0.15 4.18 0.02 -1.13 -0.48 113.55 117.58 2a7k h SER 31 Ca 0.16 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2a7k h SER 31 Cb 0.14 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2a7k h SER 31 CO -0.02 0.72 -0.02 0.58 -1.14 0.00 0.00 176.83 176.96 2a7k h VAL 32 N 1.17 1.27 -0.55 2.27 2.07 -0.73 -0.98 116.25 120.78 2a7k h VAL 32 Ca 0.32 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2a7k h VAL 32 Cb -0.14 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2a7k h VAL 32 CO -0.07 0.27 0.36 0.11 0.02 0.00 0.00 177.57 178.25 2a7k h LYS 33 N -0.00 0.73 -0.60 1.57 1.57 -0.61 -0.86 116.57 118.37 2a7k h LYS 33 Ca 0.04 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2a7k h LYS 33 Cb 0.42 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2a7k h LYS 33 CO 0.01 0.49 0.10 -0.44 -0.57 0.00 0.00 179.45 179.05 2a7k h ASP 34 N 0.74 0.91 -0.37 0.86 5.19 -1.06 -1.92 116.42 120.77 2a7k h ASP 34 Ca 0.20 -0.20 -0.14 0.00 -0.62 0.00 0.00 57.03 56.28 2a7k h ASP 34 Cb -0.07 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.19 2a7k h ASP 34 CO -0.04 0.91 -0.29 0.00 -3.12 0.00 0.00 179.24 176.70 2a7k h ALA 35 N 1.20 0.70 -0.66 3.45 0.00 -0.64 -1.94 119.26 121.37 2a7k h ALA 35 Ca 0.19 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2a7k h ALA 35 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2a7k h ALA 35 CO 0.01 0.67 0.19 -0.07 0.00 0.00 0.00 179.25 180.05 2a7k h LEU 36 N 0.76 0.97 -0.62 0.00 4.07 -1.01 -0.22 115.31 119.25 2a7k h LEU 36 Ca 0.09 -0.22 -0.14 0.00 0.08 0.00 0.00 57.88 57.69 2a7k h LEU 36 Cb 0.85 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2a7k h LEU 36 CO 0.08 0.93 -0.42 0.00 -1.08 0.00 0.00 178.44 177.95 2a7k h ALA 37 N 1.08 0.80 -0.40 1.53 0.00 -1.25 -0.80 119.26 120.21 2a7k h ALA 37 Ca 0.21 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2a7k h ALA 37 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2a7k h ALA 37 CO -0.00 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.92 2a7k h ARG 38 N 0.50 0.70 -0.95 0.00 3.08 -1.17 -2.31 114.38 114.22 2a7k h ARG 38 Ca 0.04 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.90 2a7k h ARG 38 Cb 0.93 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.86 2a7k h ARG 38 CO 0.08 0.77 0.63 0.00 -1.07 0.00 0.00 179.97 180.38 2a7k h ALA 39 N 0.90 1.22 -0.16 0.04 0.00 -0.81 -1.01 119.26 119.44 2a7k h ALA 39 Ca 0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2a7k h ALA 39 Cb 0.45 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2a7k h ALA 39 CO 0.02 0.57 -0.42 -0.97 0.00 0.00 0.00 179.25 178.45 2a7k h ASN 40 N 1.26 0.40 0.48 0.00 -1.24 -1.07 -3.16 115.58 112.25 2a7k h ASN 40 Ca 0.36 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 57.19 2a7k h ASN 40 Cb -0.10 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 38.84 2a7k h ASN 40 CO -0.09 0.78 -0.80 0.00 -1.29 0.00 0.00 177.43 176.03 2a7k n ALA 41 N -2.49 3.50 -2.61 1.57 0.00 -0.88 -4.81 120.51 114.80 2a7k n ALA 41 Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2a7k n ALA 41 Cb 0.50 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 2a7k n ALA 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2a7k s ASP 42 N -3.60 6.73 0.47 0.00 -1.08 -0.41 -4.92 116.67 113.87 2a7k s ASP 42 Ca 0.07 0.66 0.25 0.00 -0.52 0.00 0.00 52.55 53.01 2a7k s ASP 42 Cb 0.15 -2.51 1.16 0.00 -1.46 0.00 0.00 42.92 40.26 2a7k s ASP 42 CO 0.76 -0.98 1.94 0.44 0.52 0.00 0.00 175.17 177.85 2a7k h ASP 43 N 8.60 0.00 0.65 -0.34 3.32 -1.87 -2.19 116.42 124.59 2a7k h ASP 43 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2a7k h ASP 43 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2a7k h ASP 43 CO 1.04 0.19 0.00 -1.54 -1.72 0.00 0.00 179.24 177.21 2a7k n SER 44 N -3.55 0.02 -4.68 6.45 3.41 -1.26 -4.65 113.62 109.36 2a7k n SER 44 Ca -0.01 0.50 -0.35 0.00 -0.26 0.00 0.00 58.87 58.75 2a7k n SER 44 Cb 0.34 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.69 2a7k n SER 44 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2a7k s VAL 45 N -3.01 5.24 -0.09 -3.33 1.01 -0.83 -4.46 120.40 114.93 2a7k s VAL 45 Ca 0.09 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.22 2a7k s VAL 45 Cb 0.12 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 2a7k s VAL 45 CO 0.34 0.42 0.15 0.54 0.00 0.00 0.00 175.10 176.55 2a7k n ARG 46 N 3.77 5.23 -3.47 2.72 5.12 0.12 -4.91 116.66 125.22 2a7k n ARG 46 Ca -0.16 -0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 55.54 2a7k n ARG 46 Cb 0.52 -0.65 -0.03 0.00 -1.16 0.00 0.00 32.46 31.14 2a7k n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2a7k s ALA 47 N -0.96 -1.72 -0.03 7.54 0.00 -1.15 -4.09 121.76 121.34 2a7k s ALA 47 Ca 0.01 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.84 2a7k s ALA 47 Cb 0.01 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.64 2a7k s ALA 47 CO 0.05 -0.65 -0.05 0.08 0.00 0.00 0.00 175.76 175.19 2a7k s VAL 48 N -2.99 0.53 -0.12 0.00 1.01 0.10 -1.04 120.40 117.90 2a7k s VAL 48 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2a7k s VAL 48 Cb -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 2a7k s VAL 48 CO -0.07 0.21 -0.12 -0.69 0.00 0.00 0.00 175.10 174.43 2a7k s VAL 49 N 0.67 3.18 -0.12 2.92 1.01 0.40 -0.52 120.40 127.94 2a7k s VAL 49 Ca -0.09 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2a7k s VAL 49 Cb -0.12 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2a7k s VAL 49 CO 0.00 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.84 2a7k s VAL 50 N 0.18 3.29 -0.05 2.92 1.01 -0.14 -0.15 120.40 127.45 2a7k s VAL 50 Ca -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2a7k s VAL 50 Cb -0.15 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2a7k s VAL 50 CO 0.05 0.54 0.12 -0.47 0.00 0.00 0.00 175.10 175.33 2a7k s TYR 51 N 0.08 -0.12 -0.39 5.22 5.04 -0.36 -0.72 117.35 126.09 2a7k s TYR 51 Ca -0.04 0.34 0.25 0.00 -2.44 0.00 0.00 57.07 55.19 2a7k s TYR 51 Cb -0.14 -0.02 1.05 0.00 0.35 0.00 0.00 41.96 43.20 2a7k s TYR 51 CO 0.04 -0.09 1.76 0.78 -1.34 0.00 0.00 175.55 176.69 2a7k h GLY 52 N 6.47 0.00 0.00 8.97 0.00 -1.79 -0.17 103.07 116.55 2a7k h GLY 52 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2a7k h GLY 52 CO 0.44 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.59 2a7k n GLY 53 N -0.00 2.33 3.73 4.60 0.00 -1.26 -4.35 105.19 110.23 2a7k n GLY 53 Ca 0.02 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2a7k n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7k s ALA 54 N -2.92 3.59 -1.51 4.61 0.00 -1.26 -2.86 121.76 121.41 2a7k s ALA 54 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2a7k s ALA 54 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2a7k s ALA 54 CO 0.00 -0.62 0.00 0.39 0.00 0.00 0.00 175.76 175.53 2a7k n GLU 55 N 3.20 -1.29 -4.42 0.00 -0.58 -1.26 -4.99 120.64 111.30 2a7k n GLU 55 Ca 0.09 0.88 -0.21 0.00 -0.42 0.00 0.00 57.16 57.50 2a7k n GLU 55 Cb 0.42 -5.25 -0.10 0.00 -0.57 0.00 0.00 31.44 25.93 2a7k n GLU 55 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2a7k s ARG 56 N -4.47 1.56 0.23 3.49 0.52 -1.14 -5.00 118.95 114.15 2a7k s ARG 56 Ca 0.00 -1.82 -0.07 0.00 -0.52 0.00 0.00 55.73 53.31 2a7k s ARG 56 Cb 0.00 -0.96 -0.06 0.00 0.52 0.00 0.00 34.95 34.45 2a7k s ARG 56 CO 0.00 -0.08 0.51 -1.12 0.02 0.00 0.00 175.30 174.64 2a7k s SER 57 N -3.44 6.54 0.09 0.23 0.01 -0.25 -3.81 113.70 113.07 2a7k s SER 57 Ca 0.32 0.78 -0.34 0.00 1.31 0.00 0.00 55.95 58.03 2a7k s SER 57 Cb 0.06 -2.17 -0.15 0.00 0.21 0.00 0.00 66.02 63.97 2a7k s SER 57 CO 0.13 -0.08 1.59 0.15 0.41 0.00 0.00 173.24 175.43 2a7k h PHE 58 N 2.33 -1.20 -1.24 2.43 3.57 -0.83 -3.39 116.94 118.60 2a7k h PHE 58 Ca -0.47 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.19 2a7k h PHE 58 Cb 1.17 0.47 -0.26 0.00 2.79 0.00 0.00 35.95 40.12 2a7k h PHE 58 CO 0.60 -0.60 0.34 0.45 -2.23 0.00 0.00 178.31 176.87 2a7k s SER 59 N -4.46 -0.50 0.00 0.41 0.15 -0.77 -4.59 113.70 103.95 2a7k s SER 59 Ca -0.18 0.74 0.13 0.00 0.70 0.00 0.00 55.95 57.35 2a7k s SER 59 Cb 0.05 1.39 0.65 0.00 -1.71 0.00 0.00 66.02 66.40 2a7k s SER 59 CO 0.62 -0.11 1.33 0.00 1.20 0.00 0.00 173.24 176.27 2a7k n ALA 60 N 4.24 1.75 0.00 5.45 0.00 0.32 -0.96 120.51 131.32 2a7k n ALA 60 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2a7k n ALA 60 Cb 0.55 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2a7k n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a7k n GLY 61 N -0.19 -1.66 3.84 0.00 0.00 -1.21 -4.46 105.19 101.51 2a7k n GLY 61 Ca 0.06 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2a7k n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a7k s GLY 62 N -0.00 1.84 -0.36 -0.02 0.00 -1.26 -0.88 107.32 106.64 2a7k s GLY 62 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 44.72 44.52 2a7k s GLY 62 CO 0.00 0.38 1.43 -0.35 0.00 0.00 0.00 173.10 174.56 2a7k s ASP 63 N -3.59 6.41 0.25 1.64 2.15 -1.26 -4.89 116.67 117.38 2a7k s ASP 63 Ca 0.58 1.05 -0.04 0.00 0.43 0.00 0.00 52.55 54.56 2a7k s ASP 63 Cb -0.12 -2.54 0.29 0.00 -0.30 0.00 0.00 42.92 40.25 2a7k s ASP 63 CO 0.46 -1.33 1.83 -0.26 -0.17 0.00 0.00 175.17 175.69 2a7k h PHE 64 N 10.44 1.07 -0.31 -5.34 0.04 -1.96 -2.03 116.94 118.84 2a7k h PHE 64 Ca -0.28 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.43 2a7k h PHE 64 Cb 1.11 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 2a7k h PHE 64 CO 0.94 0.80 0.19 -0.91 -0.60 0.00 0.00 178.31 178.73 2a7k h ASN 65 N 1.04 0.32 -0.56 2.17 2.35 -1.97 -1.53 115.58 117.40 2a7k h ASN 65 Ca 0.24 -0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.05 2a7k h ASN 65 Cb 0.17 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 2a7k h ASN 65 CO -0.02 0.23 0.27 -0.33 -1.65 0.00 0.00 177.43 175.93 2a7k h GLU 66 N 0.39 0.50 -0.51 0.81 5.08 -1.87 -2.13 114.58 116.86 2a7k h GLU 66 Ca 0.12 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2a7k h GLU 66 Cb -0.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2a7k h GLU 66 CO -0.05 0.33 0.01 -0.39 -1.00 0.00 0.00 179.01 177.92 2a7k h VAL 67 N 0.52 1.26 0.00 3.13 -1.51 -1.03 -2.41 116.25 116.22 2a7k h VAL 67 Ca 0.26 -1.06 -0.02 0.00 -1.23 0.00 0.00 66.70 64.65 2a7k h VAL 67 Cb 0.20 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2a7k h VAL 67 CO -0.20 0.37 -0.10 0.11 -1.23 0.00 0.00 177.57 176.53 2a7k h LYS 68 N 0.75 0.00 -0.00 5.19 1.57 -1.14 -2.78 116.57 120.16 2a7k h LYS 68 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2a7k h LYS 68 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2a7k h LYS 68 CO 0.02 0.10 -0.43 1.04 -0.57 0.00 0.00 179.45 179.60 2a7k n GLN 69 N -3.81 0.40 -1.66 3.15 6.02 -0.82 -4.92 117.38 115.74 2a7k n GLN 69 Ca -0.02 -0.25 -0.47 0.00 -0.01 0.00 0.00 57.00 56.25 2a7k n GLN 69 Cb 0.19 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 2a7k n GLN 69 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2a7k n LEU 70 N -1.08 3.43 0.05 1.08 4.77 -1.02 -4.90 117.00 119.33 2a7k n LEU 70 Ca 0.08 0.86 0.12 0.00 -0.03 0.00 0.00 56.01 57.04 2a7k n LEU 70 Cb 0.35 -1.40 0.28 0.00 -2.33 0.00 0.00 43.42 40.32 2a7k n LEU 70 CO 0.32 -0.12 0.53 -1.54 -1.33 0.00 0.00 177.39 175.25 2a7k n SER 71 N 7.45 0.58 -4.18 -1.43 3.41 -1.26 -4.89 113.62 113.31 2a7k n SER 71 Ca 0.24 0.15 -0.20 0.00 -0.26 0.00 0.00 58.87 58.80 2a7k n SER 71 Cb 0.32 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.10 2a7k n SER 71 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2a7k s ARG 72 N -3.10 0.91 0.17 4.33 0.52 -1.26 -5.04 118.95 115.49 2a7k s ARG 72 Ca 0.09 -0.90 -0.17 0.00 -0.52 0.00 0.00 55.73 54.23 2a7k s ARG 72 Cb 0.15 -0.95 0.10 0.00 0.52 0.00 0.00 34.95 34.76 2a7k s ARG 72 CO 0.67 0.22 1.66 1.03 0.02 0.00 0.00 175.30 178.91 2a7k h SER 73 N 4.53 -0.41 -0.76 0.23 0.87 -1.90 -1.94 113.55 114.17 2a7k h SER 73 Ca -0.40 0.12 0.13 0.00 -1.23 0.00 0.00 61.79 60.41 2a7k h SER 73 Cb 1.18 0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 63.35 2a7k h SER 73 CO 0.42 -0.14 0.50 -0.33 -0.53 0.00 0.00 176.83 176.74 2a7k h GLU 74 N -0.02 0.52 -0.45 2.24 3.07 -1.96 -0.48 114.58 117.51 2a7k h GLU 74 Ca 0.19 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2a7k h GLU 74 Cb 0.31 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2a7k h GLU 74 CO -0.42 0.34 0.30 -0.44 -1.40 0.00 0.00 179.01 177.39 2a7k h ASP 75 N 0.54 0.51 -0.17 1.42 5.19 -1.77 -1.01 116.42 121.13 2a7k h ASP 75 Ca 0.37 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.58 2a7k h ASP 75 Cb 0.68 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.06 2a7k h ASP 75 CO -0.13 0.37 -0.61 0.40 -3.12 0.00 0.00 179.24 176.15 2a7k h ILE 76 N 0.61 1.31 -0.00 0.35 2.04 -1.14 -2.14 117.51 118.53 2a7k h ILE 76 Ca 0.16 -1.83 0.03 0.00 1.00 0.00 0.00 64.86 64.22 2a7k h ILE 76 Cb -0.07 1.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2a7k h ILE 76 CO -0.04 0.58 -0.34 -0.33 0.00 0.00 0.00 178.15 178.02 2a7k h GLU 77 N 0.42 -0.48 -0.89 2.37 5.08 -1.08 0.32 114.58 120.33 2a7k h GLU 77 Ca -0.03 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 2a7k h GLU 77 Cb 1.23 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.53 2a7k h GLU 77 CO 0.13 -0.32 0.57 0.93 -1.00 0.00 0.00 179.01 179.32 2a7k h GLU 78 N -0.49 0.80 -0.37 2.33 5.08 -1.23 0.21 114.58 120.91 2a7k h GLU 78 Ca 0.06 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2a7k h GLU 78 Cb 0.58 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2a7k h GLU 78 CO -0.28 0.53 -0.31 2.35 -1.00 0.00 0.00 179.01 180.30 2a7k h TRP 79 N 0.82 1.02 -0.60 4.33 7.01 -0.91 -1.62 115.95 126.02 2a7k h TRP 79 Ca 0.42 -0.29 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 2a7k h TRP 79 Cb 0.50 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 2a7k h TRP 79 CO -0.00 1.09 0.31 0.82 -2.79 0.00 0.00 178.44 177.87 2a7k h ILE 80 N 0.66 1.20 -0.83 2.65 2.04 0.67 -1.19 117.51 122.72 2a7k h ILE 80 Ca 0.06 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.44 2a7k h ILE 80 Cb 0.90 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2a7k h ILE 80 CO 0.08 0.22 0.53 0.44 0.00 0.00 0.00 178.15 179.42 2a7k h ASP 81 N 0.81 0.86 -0.49 1.72 3.32 -0.56 -0.72 116.42 121.36 2a7k h ASP 81 Ca 0.21 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.30 2a7k h ASP 81 Cb 0.07 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2a7k h ASP 81 CO -0.03 0.59 0.26 0.03 -1.72 0.00 0.00 179.24 178.37 2a7k h ARG 82 N 1.01 0.49 -0.10 3.56 3.08 -0.98 0.63 114.38 122.07 2a7k h ARG 82 Ca 0.34 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2a7k h ARG 82 Cb 0.04 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2a7k h ARG 82 CO -0.13 0.33 0.02 0.28 -1.07 0.00 0.00 179.97 179.41 2a7k h VAL 83 N 0.51 1.20 -0.29 2.04 2.07 -0.65 -0.86 116.25 120.27 2a7k h VAL 83 Ca 0.21 -0.62 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 2a7k h VAL 83 Cb 0.10 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2a7k h VAL 83 CO -0.14 0.18 -0.40 0.40 0.02 0.00 0.00 177.57 177.63 2a7k h ILE 84 N -0.04 1.29 -0.71 4.57 1.08 -1.06 -2.69 117.51 119.94 2a7k h ILE 84 Ca 0.03 -1.57 -0.03 0.00 -0.39 0.00 0.00 64.86 62.90 2a7k h ILE 84 Cb 0.26 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 2a7k h ILE 84 CO 0.00 0.51 0.32 0.44 -0.69 0.00 0.00 178.15 178.73 2a7k h ASP 85 N 0.56 0.94 -0.43 1.72 5.19 -0.76 -0.56 116.42 123.09 2a7k h ASP 85 Ca 0.05 -0.14 0.08 0.00 -0.62 0.00 0.00 57.03 56.39 2a7k h ASP 85 Cb 0.93 -0.24 -0.07 0.00 0.18 0.00 0.00 39.33 40.13 2a7k h ASP 85 CO 0.08 0.82 0.03 0.25 -3.12 0.00 0.00 179.24 177.31 2a7k h LEU 86 N 0.99 -0.11 -0.26 1.55 6.46 -0.94 -0.96 115.31 122.04 2a7k h LEU 86 Ca 0.24 0.09 -0.21 0.00 -0.12 0.00 0.00 57.88 57.88 2a7k h LEU 86 Cb 0.15 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2a7k h LEU 86 CO -0.03 -0.02 -0.73 1.88 -0.62 0.00 0.00 178.44 178.92 2a7k h TYR 87 N 0.15 0.92 -0.68 1.25 0.05 -1.16 -3.01 116.97 114.49 2a7k h TYR 87 Ca 0.21 -0.39 -0.06 0.00 0.05 0.00 0.00 58.73 58.54 2a7k h TYR 87 Cb 0.29 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2a7k h TYR 87 CO -0.25 1.20 0.20 1.96 -1.05 0.00 0.00 178.16 180.22 2a7k h GLN 88 N 0.48 1.05 -0.76 4.88 1.08 -0.98 -2.04 115.11 118.82 2a7k h GLN 88 Ca -0.04 -0.22 0.16 0.00 -1.45 0.00 0.00 58.65 57.11 2a7k h GLN 88 Cb 1.34 -0.15 -0.11 0.00 -0.05 0.00 0.00 27.48 28.51 2a7k h GLN 88 CO 0.14 0.90 0.23 0.00 -0.95 0.00 0.00 178.83 179.15 2a7k h ALA 89 N 1.21 1.03 -0.18 3.87 0.00 -1.04 0.11 119.26 124.26 2a7k h ALA 89 Ca 0.22 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 2a7k h ALA 89 Cb 0.30 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2a7k h ALA 89 CO -0.01 -0.31 -0.37 0.28 0.00 0.00 0.00 179.25 178.84 2a7k h VAL 90 N 0.32 1.34 0.00 0.00 2.07 -1.33 -3.18 116.25 115.46 2a7k h VAL 90 Ca 0.43 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 2a7k h VAL 90 Cb 0.73 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2a7k h VAL 90 CO -0.49 0.49 -0.20 -0.07 0.02 0.00 0.00 177.57 177.32 2a7k h LEU 91 N 0.24 0.00 -0.51 2.57 3.38 -0.68 -2.63 115.31 117.67 2a7k h LEU 91 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2a7k h LEU 91 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2a7k h LEU 91 CO 0.08 0.20 -0.00 0.59 0.09 0.00 0.00 178.44 179.40 2a7k n ASN 92 N -4.00 0.80 -4.64 -0.43 3.02 0.33 -4.74 115.26 105.59 2a7k n ASN 92 Ca -0.02 -1.25 -0.43 0.00 -0.03 0.00 0.00 54.58 52.85 2a7k n ASN 92 Cb 0.28 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.43 2a7k n ASN 92 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2a7k s VAL 93 N -2.02 4.34 -2.02 2.41 1.01 -0.99 -4.90 120.40 118.23 2a7k s VAL 93 Ca 0.42 1.57 0.13 0.00 0.00 0.00 0.00 61.98 64.10 2a7k s VAL 93 Cb 0.21 -4.22 0.36 0.00 0.00 0.00 0.00 36.38 32.74 2a7k s VAL 93 CO 0.36 -0.37 1.31 0.59 0.00 0.00 0.00 175.10 176.99 2a7k n ASN 94 N 7.02 2.12 -4.86 3.32 4.13 -1.26 -4.79 115.26 120.95 2a7k n ASN 94 Ca 0.13 -1.98 -0.23 0.00 1.68 0.00 0.00 54.58 54.18 2a7k n ASN 94 Cb 0.46 -0.26 -0.04 0.00 -1.54 0.00 0.00 39.78 38.41 2a7k n ASN 94 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2a7k s LYS 95 N -1.49 3.07 0.14 3.52 1.02 -1.26 -4.28 119.74 120.46 2a7k s LYS 95 Ca 0.27 -0.90 -0.34 0.00 0.02 0.00 0.00 55.97 55.02 2a7k s LYS 95 Cb 0.14 -2.69 -0.16 0.00 -0.52 0.00 0.00 37.83 34.60 2a7k s LYS 95 CO 0.19 0.44 1.24 -2.30 -0.92 0.00 0.00 175.35 174.00 2a7k n PRO 96 N -0.92 1.19 -5.01 -1.68 -0.02 -1.26 -4.82 135.00 122.48 2a7k n PRO 96 Ca -0.08 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.54 2a7k n PRO 96 Cb 0.56 -1.99 -0.17 0.00 -0.02 0.00 0.00 33.50 31.89 2a7k n PRO 96 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2a7k s THR 97 N 0.08 1.72 -0.08 3.45 -4.23 -1.26 -0.73 115.64 114.59 2a7k s THR 97 Ca 0.77 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2a7k s THR 97 Cb -0.88 -1.49 0.02 0.00 1.34 0.00 0.00 72.50 71.49 2a7k s THR 97 CO 0.50 0.49 -0.11 -0.63 -0.54 0.00 0.00 174.62 174.32 2a7k s ILE 98 N 0.21 1.15 -0.24 2.99 -1.09 0.32 -1.64 121.20 122.90 2a7k s ILE 98 Ca -0.11 -0.45 -0.11 0.00 -2.23 0.00 0.00 60.65 57.75 2a7k s ILE 98 Cb -0.15 -1.08 -0.05 0.00 -1.58 0.00 0.00 42.46 39.61 2a7k s ILE 98 CO 0.05 0.37 0.18 0.00 -1.23 0.00 0.00 174.94 174.30 2a7k s ALA 99 N 0.96 3.60 -0.48 9.38 0.00 -0.60 -0.97 121.76 133.66 2a7k s ALA 99 Ca -0.09 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 2a7k s ALA 99 Cb -0.15 -2.36 0.12 0.00 0.00 0.00 0.00 23.12 20.74 2a7k s ALA 99 CO 0.00 -0.24 0.34 0.00 0.00 0.00 0.00 175.76 175.87 2a7k s ALA 100 N 1.15 3.39 -0.36 0.00 0.00 0.10 -1.08 121.76 124.95 2a7k s ALA 100 Ca 0.08 -2.58 -0.16 0.00 0.00 0.00 0.00 51.96 49.30 2a7k s ALA 100 Cb -0.14 -2.79 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 2a7k s ALA 100 CO 0.05 -1.91 0.39 0.08 0.00 0.00 0.00 175.76 174.37 2a7k s VAL 101 N 1.27 5.14 0.32 0.00 1.01 0.65 -4.03 120.40 124.76 2a7k s VAL 101 Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.11 2a7k s VAL 101 Cb -0.25 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 2a7k s VAL 101 CO -0.01 -0.16 -0.06 -0.62 0.00 0.00 0.00 175.10 174.24 2a7k s ASP 102 N 1.75 3.30 0.98 3.32 -1.08 -1.26 -1.09 116.67 122.58 2a7k s ASP 102 Ca 0.12 -1.22 0.00 0.00 -0.52 0.00 0.00 52.55 50.93 2a7k s ASP 102 Cb -0.17 -0.27 0.00 0.00 -1.46 0.00 0.00 42.92 41.02 2a7k s ASP 102 CO 0.12 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.12 2a7k n GLY 103 N -0.72 2.82 3.85 2.66 0.00 -1.25 -1.04 105.19 111.50 2a7k n GLY 103 Ca -0.05 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 2a7k n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a7k s TYR 104 N 0.00 3.55 -0.40 1.61 2.02 -1.26 -1.12 117.35 121.75 2a7k s TYR 104 Ca 0.00 0.48 0.01 0.00 -0.37 0.00 0.00 57.07 57.20 2a7k s TYR 104 Cb 0.00 -1.99 0.11 0.00 -0.40 0.00 0.00 41.96 39.68 2a7k s TYR 104 CO 0.00 0.64 0.14 0.00 -1.57 0.00 0.00 175.55 174.76 2a7k s ALA 105 N -0.72 3.07 -0.11 3.71 0.00 -0.24 -1.84 121.76 125.63 2a7k s ALA 105 Ca 0.13 -2.66 0.02 0.00 0.00 0.00 0.00 51.96 49.46 2a7k s ALA 105 Cb -0.12 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2a7k s ALA 105 CO 0.03 -1.78 -0.17 0.42 0.00 0.00 0.00 175.76 174.25 2a7k s ILE 106 N 0.80 2.72 0.00 0.00 1.01 -0.13 -0.61 121.20 124.99 2a7k s ILE 106 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2a7k s ILE 106 Cb -0.21 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.15 2a7k s ILE 106 CO -0.06 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2a7k n GLY 107 N 3.40 3.31 0.41 6.18 0.00 -0.01 -0.50 105.19 117.98 2a7k n GLY 107 Ca -0.18 0.23 0.21 0.00 0.00 0.00 0.00 46.02 46.27 2a7k n GLY 107 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2a7k h MET 108 N 0.00 0.27 -0.54 1.61 2.86 -1.91 0.15 114.93 117.37 2a7k h MET 108 Ca 0.00 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 2a7k h MET 108 Cb 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2a7k h MET 108 CO 0.00 0.18 -0.05 0.78 1.06 0.00 0.00 176.91 178.88 2a7k h GLY 109 N 0.28 1.05 0.68 8.32 0.00 -0.95 0.22 103.07 112.66 2a7k h GLY 109 Ca 0.43 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2a7k h GLY 109 CO -0.12 0.72 -0.03 -2.75 0.00 0.00 0.00 176.54 174.36 2a7k h PHE 110 N 0.88 0.18 -0.74 5.60 3.04 -1.33 -2.45 116.94 122.13 2a7k h PHE 110 Ca 0.15 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 2a7k h PHE 110 Cb 0.59 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.02 2a7k h PHE 110 CO 0.04 0.51 0.45 1.96 -2.02 0.00 0.00 178.31 179.25 2a7k h GLN 111 N -0.20 1.01 -0.23 1.11 4.20 -0.94 -2.61 115.11 117.44 2a7k h GLN 111 Ca 0.02 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.68 2a7k h GLN 111 Cb 0.46 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2a7k h GLN 111 CO 0.01 0.71 -0.02 0.35 -0.67 0.00 0.00 178.83 179.22 2a7k h PHE 112 N 1.02 -0.04 -0.48 2.96 3.57 -0.60 -2.49 116.94 120.88 2a7k h PHE 112 Ca 0.27 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.83 2a7k h PHE 112 Cb -0.04 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2a7k h PHE 112 CO -0.01 -0.05 0.32 0.00 -2.23 0.00 0.00 178.31 176.34 2a7k h ALA 113 N 1.21 1.83 0.00 2.41 0.00 -1.09 -1.74 119.26 121.88 2a7k h ALA 113 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2a7k h ALA 113 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2a7k h ALA 113 CO -0.20 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.43 2a7k n LEU 114 N -4.48 0.05 0.10 0.00 4.77 -0.94 -2.38 117.00 114.13 2a7k n LEU 114 Ca 0.06 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 2a7k n LEU 114 Cb 0.18 -0.51 0.25 0.00 -2.33 0.00 0.00 43.42 41.01 2a7k n LEU 114 CO 0.35 -0.36 0.60 0.24 -1.33 0.00 0.00 177.39 176.88 2a7k h MET 115 N 0.00 0.00 -7.02 3.23 2.86 -1.34 -3.47 114.93 109.20 2a7k h MET 115 Ca 0.00 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.18 2a7k h MET 115 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2a7k h MET 115 CO 0.00 0.00 0.30 -0.06 1.06 0.00 0.00 176.91 178.21 2a7k s PHE 116 N -3.16 3.35 0.27 -0.22 0.40 -1.00 -4.48 117.98 113.13 2a7k s PHE 116 Ca 0.08 1.50 -0.03 0.00 -0.60 0.00 0.00 56.93 57.88 2a7k s PHE 116 Cb 0.12 -2.77 0.35 0.00 0.51 0.00 0.00 43.02 41.22 2a7k s PHE 116 CO 0.67 -0.11 1.83 -0.44 0.70 0.00 0.00 175.22 177.87 2a7k h ASP 117 N 1.79 0.87 -4.90 1.36 3.32 -1.64 -3.44 116.42 113.78 2a7k h ASP 117 Ca -0.48 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.27 2a7k h ASP 117 Cb 1.18 -0.23 -0.21 0.00 0.22 0.00 0.00 39.33 40.29 2a7k h ASP 117 CO 0.62 0.80 -0.58 -1.10 -1.72 0.00 0.00 179.24 177.26 2a7k s GLN 118 N -5.37 0.39 -0.06 3.56 -1.52 -0.99 -5.03 119.66 110.64 2a7k s GLN 118 Ca -0.11 -0.45 0.03 0.00 -1.95 0.00 0.00 55.36 52.89 2a7k s GLN 118 Cb 0.16 0.16 0.00 0.00 -0.22 0.00 0.00 33.01 33.11 2a7k s GLN 118 CO 0.81 -0.08 -0.16 1.03 -0.25 0.00 0.00 175.29 176.64 2a7k s ARG 119 N -1.33 1.95 0.06 2.91 0.52 -1.26 -1.55 118.95 120.26 2a7k s ARG 119 Ca -0.14 -0.56 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 2a7k s ARG 119 Cb -0.08 -1.60 -0.03 0.00 0.52 0.00 0.00 34.95 33.75 2a7k s ARG 119 CO 0.00 0.13 -0.21 -0.51 0.02 0.00 0.00 175.30 174.74 2a7k s LEU 120 N 0.38 2.51 0.17 2.53 1.43 -0.25 -0.38 118.68 125.07 2a7k s LEU 120 Ca -0.11 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.53 2a7k s LEU 120 Cb -0.15 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2a7k s LEU 120 CO 0.04 0.24 -0.12 0.00 0.23 0.00 0.00 176.35 176.73 2a7k s MET 121 N -1.58 1.18 0.53 1.70 0.23 -0.51 -0.25 119.30 120.59 2a7k s MET 121 Ca 0.15 -1.50 -0.18 0.00 -1.03 0.00 0.00 55.69 53.12 2a7k s MET 121 Cb -0.10 -0.85 -0.07 0.00 -1.53 0.00 0.00 34.83 32.28 2a7k s MET 121 CO 0.06 0.13 1.04 0.00 -2.03 0.00 0.00 175.02 174.22 2a7k s ALA 122 N -3.11 2.83 -0.60 3.16 0.00 -0.25 -1.59 121.76 122.19 2a7k s ALA 122 Ca 0.19 0.50 0.18 0.00 0.00 0.00 0.00 51.96 52.83 2a7k s ALA 122 Cb 0.01 -3.24 0.82 0.00 0.00 0.00 0.00 23.12 20.71 2a7k s ALA 122 CO 0.03 -0.50 1.56 -1.13 0.00 0.00 0.00 175.76 175.72 2a7k n SER 123 N -1.41 0.42 -0.77 0.00 3.41 0.11 -1.58 113.62 113.79 2a7k n SER 123 Ca 0.09 0.63 0.07 0.00 -0.26 0.00 0.00 58.87 59.40 2a7k n SER 123 Cb 0.53 -0.71 0.17 0.00 -0.26 0.00 0.00 64.21 63.94 2a7k n SER 123 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2a7k n THR 124 N -1.99 0.78 -2.37 6.66 -2.24 -1.26 -4.40 114.28 109.46 2a7k n THR 124 Ca 0.01 -0.89 -0.27 0.00 -2.27 0.00 0.00 64.05 60.64 2a7k n THR 124 Cb 0.15 0.68 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2a7k n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a7k s ALA 125 N -1.04 3.29 -0.01 6.98 0.00 -0.61 -4.66 121.76 125.69 2a7k s ALA 125 Ca 0.27 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2a7k s ALA 125 Cb 0.15 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.67 2a7k s ALA 125 CO 0.20 -0.83 -0.00 -0.80 0.00 0.00 0.00 175.76 174.33 2a7k s ASN 126 N -4.31 0.26 -0.13 0.00 -0.87 -0.28 -3.68 114.94 105.93 2a7k s ASN 126 Ca 0.54 -0.02 -0.07 0.00 -1.57 0.00 0.00 52.86 51.74 2a7k s ASN 126 Cb -0.11 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.25 40.98 2a7k s ASN 126 CO 0.45 -0.05 0.13 -0.36 -2.57 0.00 0.00 177.10 174.71 2a7k s PHE 127 N 0.52 3.54 -0.03 2.20 0.40 -0.07 -1.08 117.98 123.46 2a7k s PHE 127 Ca -0.05 0.48 -0.02 0.00 -0.60 0.00 0.00 56.93 56.74 2a7k s PHE 127 Cb -0.07 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.51 2a7k s PHE 127 CO -0.01 0.66 0.08 0.08 0.70 0.00 0.00 175.22 176.73 2a7k s VAL 128 N -0.83 -0.02 -0.59 -0.44 1.01 0.22 -0.23 120.40 119.53 2a7k s VAL 128 Ca 0.14 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.24 2a7k s VAL 128 Cb -0.12 -0.13 0.25 0.00 0.00 0.00 0.00 36.38 36.38 2a7k s VAL 128 CO 0.03 0.02 0.69 0.80 0.00 0.00 0.00 175.10 176.64 2a7k n MET 129 N 3.38 2.09 -0.45 2.72 1.56 -1.26 -0.83 117.12 124.34 2a7k n MET 129 Ca -0.17 -4.34 0.08 0.00 -0.27 0.00 0.00 57.70 53.00 2a7k n MET 129 Cb 0.57 -2.03 0.29 0.00 2.15 0.00 0.00 33.22 34.20 2a7k n MET 129 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2a7k n PRO 130 N 1.03 2.99 -0.21 2.12 -0.04 -1.26 -4.54 135.00 135.08 2a7k n PRO 130 Ca 0.28 -2.28 -0.03 0.00 -0.04 0.00 0.00 63.50 61.43 2a7k n PRO 130 Cb 0.43 -1.69 0.04 0.00 -0.04 0.00 0.00 33.50 32.24 2a7k n PRO 130 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a7k h GLU 131 N 3.39 -0.08 -0.59 0.54 3.07 -1.90 -1.94 114.58 117.07 2a7k h GLU 131 Ca 0.00 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2a7k h GLU 131 Cb 1.11 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.01 2a7k h GLU 131 CO 0.14 -0.06 0.08 -0.07 -1.40 0.00 0.00 179.01 177.70 2a7k h LEU 132 N -0.09 0.92 -1.44 1.33 3.38 -1.80 0.75 115.31 118.36 2a7k h LEU 132 Ca 0.28 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.15 2a7k h LEU 132 Cb 0.53 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2a7k h LEU 132 CO -0.69 0.94 0.50 0.50 0.09 0.00 0.00 178.44 179.78 2a7k h LYS 133 N 0.91 0.58 -0.65 1.13 3.64 -1.68 -2.00 116.57 118.50 2a7k h LYS 133 Ca 0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2a7k h LYS 133 Cb 0.42 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2a7k h LYS 133 CO 0.01 0.39 0.00 0.72 -2.27 0.00 0.00 179.45 178.30 2a7k n HIS 134 N -4.50 0.86 -1.60 1.91 8.25 -0.66 -4.93 115.22 114.55 2a7k n HIS 134 Ca 0.13 -0.43 -0.06 0.00 -0.26 0.00 0.00 57.72 57.10 2a7k n HIS 134 Cb 0.39 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 2a7k n HIS 134 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a7k n GLY 135 N 1.54 0.51 3.68 -1.41 0.00 -0.75 -5.02 105.19 103.74 2a7k n GLY 135 Ca 0.22 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 2a7k n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a7k s ILE 136 N -2.25 4.52 0.34 -0.61 -1.09 0.17 -4.99 121.20 117.29 2a7k s ILE 136 Ca 0.00 -0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 57.98 2a7k s ILE 136 Cb 0.00 -2.95 -0.11 0.00 -1.58 0.00 0.00 42.46 37.83 2a7k s ILE 136 CO 0.00 0.57 1.43 -0.83 -1.23 0.00 0.00 174.94 174.88 2a7k s GLY 137 N -0.55 2.84 -0.22 6.18 0.00 -1.26 -3.17 107.32 111.14 2a7k s GLY 137 Ca 0.10 1.45 0.12 0.00 0.00 0.00 0.00 44.72 46.38 2a7k s GLY 137 CO 0.02 2.17 1.28 0.00 0.00 0.00 0.00 173.10 176.57 2a7k h SER 139 N 0.87 0.15 -0.05 0.00 4.64 -1.98 0.19 113.55 117.37 2a7k h SER 139 Ca 0.06 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2a7k h SER 139 Cb 1.19 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2a7k h SER 139 CO 0.11 0.54 -0.12 0.58 -0.87 0.00 0.00 176.83 177.07 2a7k h VAL 140 N 0.12 1.44 -0.88 0.95 2.07 -1.95 -1.72 116.25 116.28 2a7k h VAL 140 Ca 0.01 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.07 2a7k h VAL 140 Cb 0.76 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 2a7k h VAL 140 CO 0.06 0.41 0.58 1.23 0.02 0.00 0.00 177.57 179.87 2a7k h GLY 141 N -0.36 1.25 0.94 2.17 0.00 -1.88 -2.34 103.07 102.85 2a7k h GLY 141 Ca -0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 2a7k h GLY 141 CO 0.03 0.42 -0.05 0.00 0.00 0.00 0.00 176.54 176.94 2a7k h ALA 142 N 1.47 0.51 -0.64 3.60 0.00 -0.93 -0.71 119.26 122.55 2a7k h ALA 142 Ca 0.34 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2a7k h ALA 142 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2a7k h ALA 142 CO -0.09 0.33 0.12 0.00 0.00 0.00 0.00 179.25 179.61 2a7k h ALA 143 N 0.85 0.99 0.01 0.00 0.00 -1.07 -1.12 119.26 118.91 2a7k h ALA 143 Ca 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2a7k h ALA 143 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2a7k h ALA 143 CO 0.03 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.74 2a7k h ILE 144 N 0.98 1.34 -0.30 0.00 2.04 -1.30 -1.94 117.51 118.33 2a7k h ILE 144 Ca 0.20 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.91 2a7k h ILE 144 Cb 0.41 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2a7k h ILE 144 CO 0.01 0.27 -0.22 0.25 0.00 0.00 0.00 178.15 178.46 2a7k h LEU 145 N -0.46 0.57 -1.03 1.44 5.85 -1.12 0.15 115.31 120.71 2a7k h LEU 145 Ca -0.00 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 2a7k h LEU 145 Cb 0.45 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2a7k h LEU 145 CO 0.00 0.78 -0.15 1.23 -0.34 0.00 0.00 178.44 179.97 2a7k h GLY 146 N 1.00 0.57 0.75 3.75 0.00 -1.21 0.38 103.07 108.30 2a7k h GLY 146 Ca 0.08 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 2a7k h GLY 146 CO 0.05 0.38 -0.05 -2.75 0.00 0.00 0.00 176.54 174.16 2a7k h PHE 147 N 0.48 0.34 0.19 5.60 3.04 -0.86 -2.16 116.94 123.56 2a7k h PHE 147 Ca 0.08 -0.08 -0.31 0.00 3.98 0.00 0.00 57.97 61.64 2a7k h PHE 147 Cb 0.54 -0.08 0.03 0.00 2.56 0.00 0.00 35.95 39.00 2a7k h PHE 147 CO 0.02 0.60 -1.36 1.79 -2.02 0.00 0.00 178.31 177.35 2a7k h THR 148 N -0.03 1.31 0.00 4.41 1.35 -0.81 -3.39 112.91 115.75 2a7k h THR 148 Ca 0.03 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 2a7k h THR 148 Cb 0.51 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 2a7k h THR 148 CO 0.02 0.79 0.00 1.41 -0.25 0.00 0.00 175.52 177.49 2a7k n HIS 149 N -3.73 0.00 0.00 4.73 8.25 0.13 -5.08 115.22 119.52 2a7k n HIS 149 Ca -0.15 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 2a7k n HIS 149 Cb 1.05 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.13 2a7k n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a7k n GLY 150 N -0.23 -0.73 0.07 -1.41 0.00 -0.81 -4.47 105.19 97.61 2a7k n GLY 150 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 2a7k n GLY 150 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2a7k h PHE 151 N 0.00 0.09 -0.28 1.61 3.57 -1.87 -2.13 116.94 117.93 2a7k h PHE 151 Ca 0.00 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 2a7k h PHE 151 Cb 0.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2a7k h PHE 151 CO 0.00 0.38 -0.44 0.66 -2.23 0.00 0.00 178.31 176.69 2a7k h SER 152 N -0.23 0.76 -0.38 0.41 4.64 -1.96 -0.57 113.55 116.22 2a7k h SER 152 Ca 0.01 -0.36 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 2a7k h SER 152 Cb 0.35 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2a7k h SER 152 CO 0.00 1.09 0.11 0.74 -0.87 0.00 0.00 176.83 177.91 2a7k h THR 153 N 0.57 1.22 -0.32 2.95 2.02 -1.78 -1.70 112.91 115.87 2a7k h THR 153 Ca 0.04 -0.72 0.05 0.00 0.77 0.00 0.00 66.41 66.55 2a7k h THR 153 Cb 0.98 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 2a7k h THR 153 CO 0.09 0.25 0.06 -0.03 0.37 0.00 0.00 175.52 176.27 2a7k h MET 154 N 0.47 0.17 -0.45 6.66 -1.53 -1.18 -1.67 114.93 117.41 2a7k h MET 154 Ca 0.12 -0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.41 2a7k h MET 154 Cb 0.27 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.24 2a7k h MET 154 CO -0.00 0.12 0.23 1.96 0.14 0.00 0.00 176.91 179.35 2a7k h GLN 155 N 0.18 0.44 -0.20 0.39 4.20 -0.98 -1.24 115.11 117.91 2a7k h GLN 155 Ca 0.15 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.85 2a7k h GLN 155 Cb 0.17 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2a7k h GLN 155 CO -0.20 0.29 0.10 1.49 -0.67 0.00 0.00 178.83 179.84 2a7k h GLU 156 N 0.45 0.21 -0.18 1.46 4.81 -1.05 -1.79 114.58 118.49 2a7k h GLU 156 Ca 0.19 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2a7k h GLU 156 Cb 0.09 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2a7k h GLU 156 CO -0.13 0.14 -0.01 0.82 -0.73 0.00 0.00 179.01 179.10 2a7k h ILE 157 N 0.21 1.26 0.00 2.32 2.04 -0.79 -1.23 117.51 121.32 2a7k h ILE 157 Ca 0.08 -0.89 -0.14 0.00 1.00 0.00 0.00 64.86 64.91 2a7k h ILE 157 Cb 0.02 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2a7k h ILE 157 CO -0.05 0.27 -0.66 0.40 0.00 0.00 0.00 178.15 178.10 2a7k h ILE 158 N 0.07 1.40 0.00 -0.67 5.03 -1.26 -2.39 117.51 119.69 2a7k h ILE 158 Ca 0.05 -2.34 -0.05 0.00 -0.12 0.00 0.00 64.86 62.41 2a7k h ILE 158 Cb 0.41 2.29 -0.01 0.00 -3.03 0.00 0.00 36.82 36.47 2a7k h ILE 158 CO 0.01 0.65 -1.27 -1.22 -0.68 0.00 0.00 178.15 175.65 2a7k n TYR 159 N -3.63 0.83 0.01 1.37 4.01 -0.68 -4.17 117.16 114.90 2a7k n TYR 159 Ca -0.01 0.25 -0.02 0.00 -0.16 0.00 0.00 57.90 57.96 2a7k n TYR 159 Cb 0.68 -0.94 -0.11 0.00 -0.31 0.00 0.00 39.34 38.67 2a7k n TYR 159 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2a7k n GLN 160 N -2.68 0.63 -3.97 -0.72 6.02 -0.47 -4.99 117.38 111.21 2a7k n GLN 160 Ca -0.04 0.20 -0.31 0.00 -0.01 0.00 0.00 57.00 56.85 2a7k n GLN 160 Cb 0.64 -1.77 0.01 0.00 1.02 0.00 0.00 30.24 30.14 2a7k n GLN 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a7k s GLN 162 N -6.64 3.54 -0.06 0.00 -0.21 -1.26 -4.80 119.66 110.22 2a7k s GLN 162 Ca 0.62 -0.25 -0.30 0.00 0.02 0.00 0.00 55.36 55.45 2a7k s GLN 162 Cb -0.32 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 30.95 2a7k s GLN 162 CO 0.85 0.26 1.18 -1.12 -2.12 0.00 0.00 175.29 174.33 2a7k s SER 163 N -3.50 7.08 -0.44 5.90 0.01 -1.26 -4.44 113.70 117.04 2a7k s SER 163 Ca 0.40 1.78 -0.15 0.00 1.31 0.00 0.00 55.95 59.30 2a7k s SER 163 Cb -0.10 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.62 2a7k s SER 163 CO 0.32 -0.57 0.34 -0.76 0.41 0.00 0.00 173.24 172.98 2a7k s LEU 164 N 2.19 5.35 0.98 2.44 1.43 0.68 -4.96 118.68 126.79 2a7k s LEU 164 Ca 0.55 -1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.31 2a7k s LEU 164 Cb -0.24 -2.15 0.21 0.00 0.03 0.00 0.00 46.19 44.04 2a7k s LEU 164 CO 0.21 -0.55 1.31 1.51 0.23 0.00 0.00 176.35 179.06 2a7k s ASP 165 N 2.18 2.96 0.13 2.29 1.47 -1.26 -0.89 116.67 123.55 2a7k s ASP 165 Ca 0.04 0.29 -0.20 0.00 1.18 0.00 0.00 52.55 53.86 2a7k s ASP 165 Cb -0.22 -0.34 -0.01 0.00 -0.34 0.00 0.00 42.92 42.01 2a7k s ASP 165 CO 0.07 -2.83 1.69 0.00 0.68 0.00 0.00 175.17 174.78 2a7k h ALA 166 N -1.71 0.10 -0.80 2.11 0.00 -1.77 -0.05 119.26 117.15 2a7k h ALA 166 Ca -0.44 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2a7k h ALA 166 Cb 1.24 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 2a7k h ALA 166 CO 0.38 -0.51 0.53 -1.35 0.00 0.00 0.00 179.25 178.30 2a7k h PRO 167 N -0.05 1.02 -0.51 0.00 0.11 -1.94 0.03 132.00 130.66 2a7k h PRO 167 Ca 0.11 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 2a7k h PRO 167 Cb 0.22 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 2a7k h PRO 167 CO -0.25 0.68 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.07 2a7k h ARG 168 N 1.06 0.92 -0.39 1.05 9.65 -1.73 -1.34 114.38 123.59 2a7k h ARG 168 Ca 0.30 -0.30 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 2a7k h ARG 168 Cb -0.08 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 2a7k h ARG 168 CO -0.07 0.95 -0.15 0.00 2.80 0.00 0.00 179.97 183.50 2a7k h VAL 170 N 0.65 1.10 -1.01 0.00 2.07 -0.85 0.31 116.25 118.52 2a7k h VAL 170 Ca 0.10 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.45 2a7k h VAL 170 Cb 0.63 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 2a7k h VAL 170 CO 0.04 0.08 0.64 -0.78 0.02 0.00 0.00 177.57 177.57 2a7k h ASP 171 N -0.04 0.96 0.66 0.57 3.58 -1.13 -0.35 116.42 120.66 2a7k h ASP 171 Ca 0.02 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2a7k h ASP 171 Cb 0.11 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2a7k h ASP 171 CO -0.00 0.53 -0.01 -1.22 -2.88 0.00 0.00 179.24 175.67 2a7k n TYR 172 N -4.59 0.00 -3.72 0.28 4.01 -0.57 -4.93 117.16 107.65 2a7k n TYR 172 Ca 0.18 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.68 2a7k n TYR 172 Cb 0.31 -0.33 0.04 0.00 -0.31 0.00 0.00 39.34 39.06 2a7k n TYR 172 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2a7k n ARG 173 N -1.32 -5.68 0.14 -0.72 0.63 -0.14 -4.90 116.66 104.66 2a7k n ARG 173 Ca 0.13 0.67 0.12 0.00 -0.92 0.00 0.00 57.85 57.84 2a7k n ARG 173 Cb 0.26 -5.44 0.10 0.00 0.45 0.00 0.00 32.46 27.84 2a7k n ARG 173 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2a7k h LEU 174 N -2.04 0.00 -8.63 6.15 3.38 -0.66 -3.47 115.31 110.04 2a7k h LEU 174 Ca -0.59 -0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.06 2a7k h LEU 174 Cb 1.36 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.97 2a7k h LEU 174 CO 0.59 0.01 -0.68 0.68 0.09 0.00 0.00 178.44 179.13 2a7k s VAL 175 N -3.27 0.81 -0.10 1.22 -7.23 -1.24 -4.82 120.40 105.77 2a7k s VAL 175 Ca 0.04 -1.99 0.19 0.00 -1.81 0.00 0.00 61.98 58.41 2a7k s VAL 175 Cb 0.09 -2.00 -0.28 0.00 0.56 0.00 0.00 36.38 34.74 2a7k s VAL 175 CO 0.73 -0.59 0.29 0.59 -0.31 0.00 0.00 175.10 175.80 2a7k n ASN 176 N -0.21 0.31 -3.70 4.85 4.13 0.49 -4.81 115.26 116.31 2a7k n ASN 176 Ca -0.08 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.03 2a7k n ASN 176 Cb 0.62 1.53 -0.08 0.00 -1.54 0.00 0.00 39.78 40.31 2a7k n ASN 176 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2a7k s GLN 177 N -3.01 0.74 -0.11 3.52 -0.21 -1.21 -5.03 119.66 114.35 2a7k s GLN 177 Ca -0.08 -0.03 0.04 0.00 0.02 0.00 0.00 55.36 55.31 2a7k s GLN 177 Cb 0.10 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.45 2a7k s GLN 177 CO 0.82 -0.21 -0.23 0.08 -2.12 0.00 0.00 175.29 173.64 2a7k s VAL 178 N -1.17 2.00 0.29 1.09 1.01 -1.26 -1.43 120.40 120.94 2a7k s VAL 178 Ca -0.12 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 60.91 2a7k s VAL 178 Cb -0.04 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2a7k s VAL 178 CO 0.05 0.55 0.17 0.68 0.00 0.00 0.00 175.10 176.55 2a7k s VAL 179 N 0.48 0.21 0.51 2.92 -7.23 -0.62 -4.90 120.40 111.77 2a7k s VAL 179 Ca -0.16 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.81 2a7k s VAL 179 Cb -0.17 -2.51 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 2a7k s VAL 179 CO 0.06 0.00 1.13 -1.61 -0.31 0.00 0.00 175.10 174.37 2a7k s GLU 180 N -3.81 3.52 0.27 4.82 0.41 -1.26 0.04 118.70 122.68 2a7k s GLU 180 Ca 0.37 1.63 -0.02 0.00 -0.41 0.00 0.00 54.97 56.54 2a7k s GLU 180 Cb 0.05 -2.13 0.60 0.00 -1.78 0.00 0.00 34.13 30.86 2a7k s GLU 180 CO 0.18 -0.72 1.62 0.77 -0.49 0.00 0.00 175.26 176.62 2a7k h SER 181 N 1.48 -0.32 0.88 -0.19 0.02 -1.93 -0.05 113.55 113.45 2a7k h SER 181 Ca -0.50 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2a7k h SER 181 Cb 1.25 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2a7k h SER 181 CO 0.58 -0.23 0.00 0.77 -1.14 0.00 0.00 176.83 176.81 2a7k h SER 182 N 0.10 0.00 -0.01 3.07 4.64 -2.03 -2.45 113.55 116.87 2a7k h SER 182 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2a7k h SER 182 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2a7k h SER 182 CO -0.75 0.00 -0.59 0.00 -0.87 0.00 0.00 176.83 174.62 2a7k n ALA 183 N -1.93 3.76 0.07 5.18 0.00 -0.10 -4.75 120.51 122.75 2a7k n ALA 183 Ca 0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 2a7k n ALA 183 Cb 0.27 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 2a7k n ALA 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2a7k h LEU 184 N 1.08 -0.16 -0.79 0.00 5.85 -0.87 -1.66 115.31 118.76 2a7k h LEU 184 Ca 0.00 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2a7k h LEU 184 Cb 0.52 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2a7k h LEU 184 CO 0.00 0.18 0.44 0.25 -0.34 0.00 0.00 178.44 178.97 2a7k h LEU 185 N -0.51 0.97 -0.77 2.25 5.85 -1.86 -0.12 115.31 121.12 2a7k h LEU 185 Ca -0.02 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 2a7k h LEU 185 Cb 0.40 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2a7k h LEU 185 CO 0.03 0.78 0.24 0.44 -0.34 0.00 0.00 178.44 179.60 2a7k h ASP 186 N 1.09 1.09 -0.62 1.25 3.32 -1.87 -0.36 116.42 120.31 2a7k h ASP 186 Ca 0.28 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2a7k h ASP 186 Cb 0.02 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2a7k h ASP 186 CO -0.05 1.00 0.18 0.00 -1.72 0.00 0.00 179.24 178.66 2a7k h ALA 187 N 1.14 1.10 -0.21 3.45 0.00 -0.52 -0.32 119.26 123.90 2a7k h ALA 187 Ca 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2a7k h ALA 187 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2a7k h ALA 187 CO -0.01 0.61 -0.11 0.00 0.00 0.00 0.00 179.25 179.74 2a7k h ALA 188 N 1.23 0.29 -0.68 0.00 0.00 -0.73 -2.14 119.26 117.23 2a7k h ALA 188 Ca 0.21 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2a7k h ALA 188 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2a7k h ALA 188 CO -0.00 0.14 0.43 0.82 0.00 0.00 0.00 179.25 180.63 2a7k h ILE 189 N 0.14 1.09 -0.25 0.00 2.04 -0.92 -0.06 117.51 119.54 2a7k h ILE 189 Ca 0.04 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2a7k h ILE 189 Cb 0.61 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2a7k h ILE 189 CO 0.03 0.15 0.05 0.74 0.00 0.00 0.00 178.15 179.13 2a7k h THR 190 N 0.83 0.89 -0.32 -0.27 2.02 -0.95 0.82 112.91 115.94 2a7k h THR 190 Ca 0.27 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.35 2a7k h THR 190 Cb 0.02 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2a7k h THR 190 CO -0.11 0.03 -0.04 1.56 0.37 0.00 0.00 175.52 177.33 2a7k h GLN 191 N 0.15 0.50 -0.63 6.66 1.08 -1.06 -1.93 115.11 119.89 2a7k h GLN 191 Ca 0.11 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2a7k h GLN 191 Cb 0.11 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 2a7k h GLN 191 CO -0.15 0.56 0.19 0.00 -0.95 0.00 0.00 178.83 178.49 2a7k h ALA 192 N 1.49 1.16 -0.55 3.87 0.00 -0.20 -1.57 119.26 123.46 2a7k h ALA 192 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2a7k h ALA 192 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2a7k h ALA 192 CO 0.02 0.58 0.18 0.45 0.00 0.00 0.00 179.25 180.48 2a7k h HIS 193 N 0.92 0.87 -0.33 0.00 3.86 -0.31 -0.11 115.15 120.05 2a7k h HIS 193 Ca 0.21 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2a7k h HIS 193 Cb 0.27 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2a7k h HIS 193 CO 0.02 0.73 0.19 0.28 0.86 0.00 0.00 177.93 180.01 2a7k h VAL 194 N 0.76 1.12 0.00 2.45 2.07 -0.97 -1.93 116.25 119.75 2a7k h VAL 194 Ca 0.18 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 2a7k h VAL 194 Cb 0.26 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2a7k h VAL 194 CO -0.01 0.12 -0.71 0.24 0.02 0.00 0.00 177.57 177.23 2a7k h MET 195 N 0.42 0.00 0.00 1.57 2.86 -1.26 -2.84 114.93 115.68 2a7k h MET 195 Ca 0.12 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2a7k h MET 195 Cb 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2a7k h MET 195 CO -0.02 0.71 -0.12 0.00 1.06 0.00 0.00 176.91 178.54 2a7k h ALA 196 N 1.29 1.33 0.00 6.32 0.00 -0.75 -2.58 119.26 124.86 2a7k h ALA 196 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2a7k h ALA 196 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2a7k h ALA 196 CO 0.09 0.16 0.00 0.66 0.00 0.00 0.00 179.25 180.16 2a7k h SER 197 N 0.00 0.00 -2.93 0.00 4.64 -1.10 -3.44 113.55 110.72 2a7k h SER 197 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2a7k h SER 197 Cb 0.33 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.46 2a7k h SER 197 CO 0.02 0.00 0.83 -0.31 -0.87 0.00 0.00 176.83 176.49 2a7k s TYR 198 N -3.29 3.11 0.08 4.77 2.02 -0.98 -4.90 117.35 118.15 2a7k s TYR 198 Ca 0.06 0.75 -0.37 0.00 -0.37 0.00 0.00 57.07 57.15 2a7k s TYR 198 Cb 0.09 -3.85 -0.17 0.00 -0.40 0.00 0.00 41.96 37.63 2a7k s TYR 198 CO 0.56 -3.07 1.28 -2.30 -1.57 0.00 0.00 175.55 170.45 2a7k n PRO 199 N 3.78 0.96 -0.18 -1.71 -0.02 -1.26 -4.84 135.00 131.73 2a7k n PRO 199 Ca 0.12 0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2a7k n PRO 199 Cb 0.40 -1.95 0.01 0.00 -0.02 0.00 0.00 33.50 31.93 2a7k n PRO 199 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a7k h ALA 200 N 4.22 0.71 0.09 3.55 0.00 -1.90 -2.47 119.26 123.47 2a7k h ALA 200 Ca -0.48 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 2a7k h ALA 200 Cb 1.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2a7k h ALA 200 CO 0.75 0.58 -0.04 1.03 0.00 0.00 0.00 179.25 181.56 2a7k h SER 201 N 0.83 -0.10 -0.52 0.00 0.87 -1.99 0.30 113.55 112.94 2a7k h SER 201 Ca 0.14 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 2a7k h SER 201 Cb 0.60 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 2a7k h SER 201 CO 0.04 -0.07 0.09 0.00 -0.53 0.00 0.00 176.83 176.35 2a7k h ALA 202 N 0.78 1.08 0.01 6.23 0.00 -1.94 -1.94 119.26 123.48 2a7k h ALA 202 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2a7k h ALA 202 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2a7k h ALA 202 CO 0.02 0.60 -0.00 0.35 0.00 0.00 0.00 179.25 180.21 2a7k h PHE 203 N 0.87 -0.01 -0.20 0.00 3.04 -1.01 -2.14 116.94 117.49 2a7k h PHE 203 Ca 0.18 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.17 2a7k h PHE 203 Cb 0.39 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.87 2a7k h PHE 203 CO 0.02 0.26 -0.04 0.82 -2.02 0.00 0.00 178.31 177.36 2a7k h ILE 204 N -0.28 0.82 -0.84 1.41 2.04 -0.30 0.73 117.51 121.09 2a7k h ILE 204 Ca -0.00 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2a7k h ILE 204 Cb 0.28 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2a7k h ILE 204 CO 0.00 0.00 0.50 0.78 0.00 0.00 0.00 178.15 179.44 2a7k h ASN 205 N 0.01 1.01 -0.01 1.72 2.35 -1.40 -1.24 115.58 118.02 2a7k h ASN 205 Ca 0.09 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2a7k h ASN 205 Cb 0.14 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 2a7k h ASN 205 CO -0.19 0.78 -0.00 0.74 -1.65 0.00 0.00 177.43 177.10 2a7k h THR 206 N 1.15 1.31 -0.98 2.81 2.02 -1.04 -2.63 112.91 115.54 2a7k h THR 206 Ca 0.30 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.58 2a7k h THR 206 Cb -0.04 1.91 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 2a7k h THR 206 CO -0.06 0.24 0.65 0.50 0.37 0.00 0.00 175.52 177.22 2a7k h LYS 207 N -0.36 1.24 -0.33 6.66 3.64 -0.72 0.13 116.57 126.83 2a7k h LYS 207 Ca 0.00 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2a7k h LYS 207 Cb 0.40 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2a7k h LYS 207 CO 0.00 0.82 0.08 -0.09 -2.27 0.00 0.00 179.45 177.99 2a7k h ARG 208 N 1.28 0.19 -0.66 1.90 2.43 -1.24 0.23 114.38 118.51 2a7k h ARG 208 Ca 0.38 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.47 2a7k h ARG 208 Cb -0.06 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2a7k h ARG 208 CO -0.11 0.13 0.14 0.00 -1.51 0.00 0.00 179.97 178.62 2a7k h ALA 209 N 1.24 1.00 -0.09 2.80 0.00 -0.97 -1.66 119.26 121.58 2a7k h ALA 209 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2a7k h ALA 209 Cb 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2a7k h ALA 209 CO -0.20 0.64 0.03 0.28 0.00 0.00 0.00 179.25 180.01 2a7k h VAL 210 N 1.00 1.15 0.00 0.00 2.07 -0.31 -3.30 116.25 116.87 2a7k h VAL 210 Ca 0.21 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2a7k h VAL 210 Cb 0.39 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2a7k h VAL 210 CO 0.01 0.13 -0.11 0.78 0.02 0.00 0.00 177.57 178.39 2a7k h ASN 211 N -0.02 0.00 -0.33 0.57 4.21 -0.51 -3.36 115.58 116.13 2a7k h ASN 211 Ca 0.03 0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.61 2a7k h ASN 211 Cb 0.18 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.29 2a7k h ASN 211 CO -0.00 0.10 -0.32 0.50 -1.29 0.00 0.00 177.43 176.42 2a7k h LYS 212 N 0.00 -0.27 0.00 0.81 3.64 -1.37 0.12 116.57 119.49 2a7k h LYS 212 Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2a7k h LYS 212 Cb 1.08 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2a7k h LYS 212 CO 0.01 -0.18 -0.08 -1.00 -2.27 0.00 0.00 179.45 175.93 2a7k h PRO 213 N -0.28 0.00 -0.07 1.90 0.13 -1.78 -0.05 132.00 131.85 2a7k h PRO 213 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.23 2a7k h PRO 213 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2a7k h PRO 213 CO -0.49 0.08 -0.16 0.35 -0.23 0.00 0.00 178.00 177.56 2a7k h PHE 214 N 0.00 0.29 -0.73 1.56 3.04 -1.22 -0.82 116.94 119.07 2a7k h PHE 214 Ca -0.00 -0.11 0.08 0.00 3.98 0.00 0.00 57.97 61.92 2a7k h PHE 214 Cb 0.22 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.62 2a7k h PHE 214 CO 0.00 0.76 0.40 0.82 -2.02 0.00 0.00 178.31 178.27 2a7k h ILE 215 N -0.26 0.93 -0.47 1.41 2.04 -0.46 0.76 117.51 121.46 2a7k h ILE 215 Ca -0.00 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 2a7k h ILE 215 Cb 0.75 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2a7k h ILE 215 CO 0.03 0.13 0.05 0.45 0.00 0.00 0.00 178.15 178.82 2a7k h HIS 216 N 0.71 0.85 -0.45 1.37 3.86 -0.95 -1.37 115.15 119.16 2a7k h HIS 216 Ca 0.34 -0.13 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 2a7k h HIS 216 Cb 0.27 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 2a7k h HIS 216 CO -0.08 0.80 0.21 1.25 0.86 0.00 0.00 177.93 180.97 2a7k h LEU 217 N 0.65 0.29 -1.00 2.43 5.85 -0.62 -1.30 115.31 121.61 2a7k h LEU 217 Ca 0.14 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2a7k h LEU 217 Cb 0.42 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2a7k h LEU 217 CO 0.01 0.21 0.04 -0.07 -0.34 0.00 0.00 178.44 178.29 2a7k h LEU 218 N 0.42 0.72 -0.50 2.25 3.38 -0.52 -0.58 115.31 120.48 2a7k h LEU 218 Ca 0.20 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2a7k h LEU 218 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2a7k h LEU 218 CO -0.16 0.77 0.06 -0.08 0.09 0.00 0.00 178.44 179.12 2a7k h GLU 219 N 0.72 0.85 -0.97 1.13 4.57 -0.90 0.11 114.58 120.09 2a7k h GLU 219 Ca 0.15 -0.24 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2a7k h GLU 219 Cb 0.39 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.83 2a7k h GLU 219 CO 0.01 0.85 0.64 1.96 -1.18 0.00 0.00 179.01 181.29 2a7k h GLN 220 N 0.72 1.24 -0.41 1.92 4.20 -1.03 -2.26 115.11 119.49 2a7k h GLN 220 Ca 0.15 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 2a7k h GLN 220 Cb 0.43 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2a7k h GLN 220 CO 0.01 0.82 -0.28 1.15 -0.67 0.00 0.00 178.83 179.87 2a7k h THR 221 N 1.28 1.27 -0.23 -0.54 2.02 -0.61 -0.40 112.91 115.70 2a7k h THR 221 Ca 0.37 -1.43 0.06 0.00 0.77 0.00 0.00 66.41 66.18 2a7k h THR 221 Cb -0.08 1.25 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 2a7k h THR 221 CO -0.10 0.48 -0.22 -0.09 0.37 0.00 0.00 175.52 175.96 2a7k h ARG 222 N 0.74 -0.22 -0.16 6.66 2.43 -0.50 -0.14 114.38 123.18 2a7k h ARG 222 Ca 0.09 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2a7k h ARG 222 Cb 0.83 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2a7k h ARG 222 CO 0.07 -0.15 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.91 2a7k h ASP 223 N -0.23 0.30 -0.42 -3.80 5.19 -1.20 -3.12 116.42 113.15 2a7k h ASP 223 Ca 0.13 -0.36 -0.06 0.00 -0.62 0.00 0.00 57.03 56.12 2a7k h ASP 223 Cb 0.43 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 2a7k h ASP 223 CO -0.36 0.59 0.01 0.00 -3.12 0.00 0.00 179.24 176.36 2a7k h ALA 224 N 0.72 0.56 -0.79 3.45 0.00 -0.86 -3.08 119.26 119.26 2a7k h ALA 224 Ca 0.04 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2a7k h ALA 224 Cb 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2a7k h ALA 224 CO 0.01 0.33 0.52 0.77 0.00 0.00 0.00 179.25 180.89 2a7k h SER 225 N 0.56 0.88 0.26 0.00 0.02 -1.07 -2.49 113.55 111.72 2a7k h SER 225 Ca 0.12 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2a7k h SER 225 Cb 0.46 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 2a7k h SER 225 CO 0.02 0.63 -0.08 0.11 -1.14 0.00 0.00 176.83 176.37 2a7k h LYS 226 N 1.04 0.00 -0.35 3.45 1.57 -1.47 -3.35 116.57 117.47 2a7k h LYS 226 Ca 0.30 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.95 2a7k h LYS 226 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2a7k h LYS 226 CO -0.07 0.08 -0.28 0.00 -0.57 0.00 0.00 179.45 178.61 2a7k h ALA 227 N 1.92 0.50 -0.46 3.86 0.00 -1.56 -2.40 119.26 121.14 2a7k h ALA 227 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2a7k h ALA 227 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2a7k h ALA 227 CO 0.01 0.52 0.02 -0.24 0.00 0.00 0.00 179.25 179.56 2a7k h VAL 228 N 0.58 1.23 -0.55 0.00 3.04 -1.76 -2.73 116.25 116.07 2a7k h VAL 228 Ca 0.06 -0.92 -0.11 0.00 -1.01 0.00 0.00 66.70 64.72 2a7k h VAL 228 Cb 0.85 0.86 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 2a7k h VAL 228 CO 0.07 0.33 -0.07 0.45 -1.01 0.00 0.00 177.57 177.34 2a7k h HIS 229 N 0.69 1.13 -0.48 3.17 -0.00 -1.70 0.02 115.15 117.99 2a7k h HIS 229 Ca 0.14 -0.22 0.10 0.00 -0.00 0.00 0.00 60.37 60.38 2a7k h HIS 229 Cb 0.40 -0.28 -0.08 0.00 -0.00 0.00 0.00 27.41 27.44 2a7k h HIS 229 CO 0.02 1.04 -0.04 0.87 -0.00 0.00 0.00 177.93 179.82 2a7k h LYS 230 N 0.90 0.07 -0.31 2.45 1.57 -1.20 -2.24 116.57 117.83 2a7k h LYS 230 Ca 0.15 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2a7k h LYS 230 Cb 0.64 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2a7k h LYS 230 CO 0.04 0.05 -0.28 0.00 -0.57 0.00 0.00 179.45 178.69 2a7k h ALA 231 N 1.45 0.93 -0.16 3.86 0.00 -1.14 -1.32 119.26 122.88 2a7k h ALA 231 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2a7k h ALA 231 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2a7k h ALA 231 CO -0.43 0.61 0.11 0.00 0.00 0.00 0.00 179.25 179.54 2a7k h ALA 232 N 1.15 0.21 0.00 0.00 0.00 -0.69 -2.48 119.26 117.45 2a7k h ALA 232 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2a7k h ALA 232 Cb 0.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2a7k h ALA 232 CO 0.06 -0.31 -0.72 0.74 0.00 0.00 0.00 179.25 179.02 2a7k h PHE 233 N 0.22 0.00 -0.72 0.00 -1.00 -1.40 -2.00 116.94 112.03 2a7k h PHE 233 Ca 0.06 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.89 2a7k h PHE 233 Cb -0.02 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.49 2a7k h PHE 233 CO -0.07 0.72 0.44 1.96 -1.61 0.00 0.00 178.31 179.75 2a7k h GLN 234 N 0.00 0.80 0.42 1.51 4.20 -1.11 0.54 115.11 121.48 2a7k h GLN 234 Ca -0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2a7k h GLN 234 Cb 1.48 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2a7k h GLN 234 CO 0.09 0.53 -0.20 0.00 -0.67 0.00 0.00 178.83 178.58 2a7k h ALA 235 N 1.34 -0.56 -0.60 3.87 0.00 -1.26 -2.98 119.26 119.07 2a7k h ALA 235 Ca 0.31 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.14 2a7k h ALA 235 Cb 0.10 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2a7k h ALA 235 CO -0.14 -0.66 0.14 0.07 0.00 0.00 0.00 179.25 178.66 2a7k h ARG 236 N -0.88 0.27 0.00 0.00 -0.00 -1.29 -2.41 114.38 110.06 2a7k h ARG 236 Ca -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.91 2a7k h ARG 236 Cb 0.56 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 30.47 2a7k h ARG 236 CO 0.09 0.18 0.00 -0.25 -0.00 0.00 0.00 179.97 180.00 2a7k n ASP 237 N -5.10 0.24 0.00 0.08 8.00 0.17 -5.10 116.55 114.85 2a7k n ASP 237 Ca 0.09 0.54 0.05 0.00 0.71 0.00 0.00 54.79 56.18 2a7k n ASP 237 Cb 0.31 -0.60 0.32 0.00 -0.02 0.00 0.00 41.12 41.13 2a7k n ASP 237 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81