#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 0.43 0.07 2.03 -7.23 -1.26 0.14 120.40 114.58 2a7k s VAL 2 Ca 0.00 -1.45 0.09 0.00 -1.81 0.00 0.00 61.98 58.81 2a7k s VAL 2 Cb 0.00 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2a7k s VAL 2 CO 0.00 -0.68 -0.22 0.72 -0.31 0.00 0.00 175.10 174.61 2a7k s PHE 3 N -2.58 2.43 -0.17 2.82 -0.71 0.01 -4.89 117.98 114.90 2a7k s PHE 3 Ca -0.01 -0.33 -0.00 0.00 -1.04 0.00 0.00 56.93 55.54 2a7k s PHE 3 Cb -0.02 -1.38 -0.00 0.00 -1.21 0.00 0.00 43.02 40.41 2a7k s PHE 3 CO -0.04 0.25 -0.14 -1.21 -1.34 0.00 0.00 175.22 172.74 2a7k s GLU 4 N -1.59 3.22 0.18 1.99 2.02 -1.26 -0.66 118.70 122.60 2a7k s GLU 4 Ca 0.14 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.43 2a7k s GLU 4 Cb -0.10 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.40 2a7k s GLU 4 CO 0.05 -0.03 -0.04 -1.21 0.02 0.00 0.00 175.26 174.05 2a7k s GLU 5 N 0.95 1.14 -0.06 1.61 2.02 0.28 -4.98 118.70 119.67 2a7k s GLU 5 Ca -0.02 -1.54 0.03 0.00 0.02 0.00 0.00 54.97 53.46 2a7k s GLU 5 Cb -0.15 -0.49 0.01 0.00 0.10 0.00 0.00 34.13 33.60 2a7k s GLU 5 CO -0.02 -0.04 -0.15 -0.80 0.02 0.00 0.00 175.26 174.27 2a7k s ASN 6 N -3.20 1.97 -0.72 -0.19 -0.87 -1.26 0.22 114.94 110.88 2a7k s ASN 6 Ca 0.22 -0.33 -0.04 0.00 -1.57 0.00 0.00 52.86 51.14 2a7k s ASN 6 Cb 0.05 -0.76 0.18 0.00 -0.02 0.00 0.00 41.25 40.70 2a7k s ASN 6 CO 0.04 0.09 0.56 -0.55 -2.57 0.00 0.00 177.10 174.67 2a7k s SER 7 N 0.39 5.61 0.93 -1.22 0.15 0.20 -4.99 113.70 114.77 2a7k s SER 7 Ca -0.10 -3.03 0.00 0.00 0.70 0.00 0.00 55.95 53.51 2a7k s SER 7 Cb -0.14 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2a7k s SER 7 CO 0.03 -0.35 0.00 0.47 1.20 0.00 0.00 173.24 174.59 2a7k n ASP 8 N 3.29 0.00 -0.21 5.45 8.00 -1.26 -1.13 116.55 130.69 2a7k n ASP 8 Ca 0.12 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.76 2a7k n ASP 8 Cb 0.39 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.21 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 4.67 1.29 -3.55 -1.24 0.00 -1.26 -4.71 120.64 115.84 2a7k n GLU 9 Ca 0.00 -0.42 -0.39 0.00 0.00 0.00 0.00 57.16 56.35 2a7k n GLU 9 Cb 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 31.44 29.87 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 -1.98 5.29 -0.16 3.84 1.01 -0.28 0.54 120.40 128.65 2a7k s VAL 10 Ca 0.41 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 62.17 2a7k s VAL 10 Cb 0.20 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2a7k s VAL 10 CO 0.33 0.12 0.79 -0.60 0.00 0.00 0.00 175.10 175.74 2a7k s ARG 11 N 1.77 4.30 -0.24 2.72 6.06 -0.59 -0.63 118.95 132.35 2a7k s ARG 11 Ca 0.07 0.94 -0.06 0.00 -2.50 0.00 0.00 55.73 54.18 2a7k s ARG 11 Cb -0.17 -3.56 -0.02 0.00 0.06 0.00 0.00 34.95 31.26 2a7k s ARG 11 CO 0.11 -0.27 0.03 0.08 -2.50 0.00 0.00 175.30 172.75 2a7k s VAL 12 N 1.96 3.97 -0.29 7.11 1.01 0.13 -0.24 120.40 134.05 2a7k s VAL 12 Ca 0.37 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 2a7k s VAL 12 Cb -0.17 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2a7k s VAL 12 CO 0.13 0.35 0.06 -0.63 0.00 0.00 0.00 175.10 175.01 2a7k s ILE 13 N 1.56 3.78 -0.22 2.22 1.01 0.67 -0.56 121.20 129.67 2a7k s ILE 13 Ca 0.06 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 2a7k s ILE 13 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2a7k s ILE 13 CO 0.01 0.08 0.07 -0.89 0.00 0.00 0.00 174.94 174.21 2a7k s THR 14 N 1.46 4.61 0.16 2.92 2.01 0.16 -1.53 115.64 125.44 2a7k s THR 14 Ca 0.02 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 2a7k s THR 14 Cb -0.17 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.14 2a7k s THR 14 CO 0.01 0.39 1.22 -0.76 -0.69 0.00 0.00 174.62 174.80 2a7k s LEU 15 N 1.02 4.43 -0.31 4.42 1.43 0.02 -0.81 118.68 128.87 2a7k s LEU 15 Ca 0.04 2.22 0.18 0.00 -1.03 0.00 0.00 54.13 55.54 2a7k s LEU 15 Cb -0.14 -3.60 0.47 0.00 0.03 0.00 0.00 46.19 42.95 2a7k s LEU 15 CO 0.03 -0.43 1.02 -0.67 0.23 0.00 0.00 176.35 176.54 2a7k n ASP 16 N 2.89 1.84 -4.72 2.29 2.03 0.12 -4.45 116.55 116.55 2a7k n ASP 16 Ca 0.06 -2.59 -0.38 0.00 0.52 0.00 0.00 54.79 52.39 2a7k n ASP 16 Cb 0.45 -0.50 0.04 0.00 -0.72 0.00 0.00 41.12 40.39 2a7k n ASP 16 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2a7k n HIS 17 N -0.29 2.03 -0.34 -0.67 -0.00 -1.22 -4.62 115.22 110.11 2a7k n HIS 17 Ca 0.12 0.44 0.18 0.00 -0.00 0.00 0.00 57.72 58.45 2a7k n HIS 17 Cb 0.81 -2.32 0.41 0.00 -0.00 0.00 0.00 29.99 28.88 2a7k n HIS 17 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2a7k h PRO 18 N 1.24 0.55 -6.35 1.57 0.11 -1.98 -3.39 132.00 123.76 2a7k h PRO 18 Ca -0.50 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.03 2a7k h PRO 18 Cb 1.32 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2a7k h PRO 18 CO 0.56 0.37 0.45 1.21 -0.21 0.00 0.00 178.00 180.38 2a7k s ASN 19 N -5.27 7.31 0.13 -2.05 3.84 -1.26 -4.95 114.94 112.69 2a7k s ASN 19 Ca -0.10 1.62 0.09 0.00 0.21 0.00 0.00 52.86 54.68 2a7k s ASN 19 Cb 0.26 -2.56 0.49 0.00 -0.55 0.00 0.00 41.25 38.88 2a7k s ASN 19 CO 0.80 -0.34 1.27 2.29 -2.79 0.00 0.00 177.10 178.33 2a7k n LYS 20 N 4.34 0.06 -0.02 0.43 2.85 -1.26 -1.35 118.16 123.21 2a7k n LYS 20 Ca 0.07 0.56 0.13 0.00 -1.05 0.00 0.00 58.31 58.02 2a7k n LYS 20 Cb 0.50 -1.70 0.41 0.00 -0.65 0.00 0.00 35.03 33.60 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 -1.81 0.06 -3.76 5.58 8.25 -1.26 -1.30 115.22 120.98 2a7k n HIS 21 Ca -0.01 -0.03 -0.26 0.00 -0.26 0.00 0.00 57.72 57.16 2a7k n HIS 21 Cb 0.02 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.15 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 0.45 -2.76 -4.77 0.41 3.02 -0.45 -0.54 115.26 110.62 2a7k n ASN 22 Ca 0.18 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 2a7k n ASN 22 Cb 0.40 -3.50 -0.01 0.00 -0.61 0.00 0.00 39.78 36.06 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 -6.10 4.21 -1.20 3.52 0.04 -1.26 -4.06 135.00 130.15 2a7k s PRO 23 Ca 0.21 2.42 -0.20 0.00 0.04 0.00 0.00 61.00 63.47 2a7k s PRO 23 Cb -0.07 -3.02 0.04 0.00 0.04 0.00 0.00 34.50 31.49 2a7k s PRO 23 CO 0.85 -0.40 1.71 -0.06 0.04 0.00 0.00 177.00 179.14 2a7k s PHE 24 N -0.98 2.55 0.78 0.56 0.08 0.56 -4.83 117.98 116.71 2a7k s PHE 24 Ca 0.52 -1.03 -0.11 0.00 0.12 0.00 0.00 56.93 56.43 2a7k s PHE 24 Cb -0.44 -4.60 0.06 0.00 -0.57 0.00 0.00 43.02 37.47 2a7k s PHE 24 CO 0.57 -1.75 1.10 -1.54 -0.10 0.00 0.00 175.22 173.50 2a7k s SER 25 N 4.93 4.63 0.35 1.36 1.04 -1.26 -4.46 113.70 120.28 2a7k s SER 25 Ca 0.55 1.28 0.04 0.00 0.48 0.00 0.00 55.95 58.30 2a7k s SER 25 Cb 0.02 -2.02 0.69 0.00 0.10 0.00 0.00 66.02 64.81 2a7k s SER 25 CO 0.04 -1.88 1.98 -0.09 0.98 0.00 0.00 173.24 174.26 2a7k h ARG 26 N -1.03 0.79 -0.15 4.02 2.43 -1.99 -1.26 114.38 117.20 2a7k h ARG 26 Ca -0.47 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2a7k h ARG 26 Cb 1.27 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2a7k h ARG 26 CO 0.60 0.52 0.05 1.15 -1.51 0.00 0.00 179.97 180.79 2a7k h THR 27 N 0.82 1.17 -0.59 0.20 2.02 -1.97 -2.13 112.91 112.43 2a7k h THR 27 Ca 0.29 -0.51 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 2a7k h THR 27 Cb 0.12 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2a7k h THR 27 CO -0.08 0.16 0.01 0.25 0.37 0.00 0.00 175.52 176.22 2a7k h LEU 28 N 0.07 0.99 -0.22 2.58 5.85 -1.81 -1.54 115.31 121.24 2a7k h LEU 28 Ca 0.05 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.54 2a7k h LEU 28 Cb 0.20 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2a7k h LEU 28 CO -0.00 1.04 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.74 2a7k h GLU 29 N 0.93 -0.01 -0.50 1.25 5.08 -1.20 -1.22 114.58 118.92 2a7k h GLU 29 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2a7k h GLU 29 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2a7k h GLU 29 CO 0.03 -0.01 0.29 1.15 -1.00 0.00 0.00 179.01 179.47 2a7k h THR 30 N -0.01 1.16 -0.56 1.13 2.02 -1.15 -0.03 112.91 115.47 2a7k h THR 30 Ca 0.11 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2a7k h THR 30 Cb 0.17 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2a7k h THR 30 CO -0.23 0.16 0.32 0.28 0.37 0.00 0.00 175.52 176.42 2a7k h SER 31 N 0.66 0.68 0.16 4.18 0.02 -1.12 0.16 113.55 118.30 2a7k h SER 31 Ca 0.18 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2a7k h SER 31 Cb 0.01 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.38 2a7k h SER 31 CO -0.03 0.56 -0.08 0.58 -1.14 0.00 0.00 176.83 176.72 2a7k h VAL 32 N 0.75 0.93 -0.60 2.27 2.07 -1.04 -1.21 116.25 119.43 2a7k h VAL 32 Ca 0.20 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.33 2a7k h VAL 32 Cb 0.02 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2a7k h VAL 32 CO -0.03 0.10 0.30 0.11 0.02 0.00 0.00 177.57 178.07 2a7k h LYS 33 N -0.43 0.55 -0.78 1.57 1.57 -0.87 -0.39 116.57 117.78 2a7k h LYS 33 Ca -0.02 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2a7k h LYS 33 Cb 0.34 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2a7k h LYS 33 CO 0.04 0.36 0.35 -0.44 -0.57 0.00 0.00 179.45 179.19 2a7k h ASP 34 N 0.56 1.05 -0.49 0.86 3.32 -0.92 -1.91 116.42 118.89 2a7k h ASP 34 Ca 0.27 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 2a7k h ASP 34 Cb 0.21 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2a7k h ASP 34 CO -0.20 0.91 -0.21 0.00 -1.72 0.00 0.00 179.24 178.02 2a7k h ALA 35 N 1.18 0.69 -0.60 3.45 0.00 -0.51 -1.95 119.26 121.52 2a7k h ALA 35 Ca 0.27 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2a7k h ALA 35 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2a7k h ALA 35 CO -0.03 0.68 0.04 -0.07 0.00 0.00 0.00 179.25 179.87 2a7k h LEU 36 N 0.87 0.98 -0.65 0.00 4.07 -0.99 -0.48 115.31 119.11 2a7k h LEU 36 Ca 0.11 -0.25 -0.11 0.00 0.08 0.00 0.00 57.88 57.71 2a7k h LEU 36 Cb 0.79 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2a7k h LEU 36 CO 0.07 1.01 -0.17 0.00 -1.08 0.00 0.00 178.44 178.27 2a7k h ALA 37 N 1.09 0.84 -0.10 1.53 0.00 -1.26 -1.17 119.26 120.19 2a7k h ALA 37 Ca 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2a7k h ALA 37 Cb 0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2a7k h ALA 37 CO 0.02 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.94 2a7k h ARG 38 N 0.78 0.16 -0.88 0.00 3.08 -1.19 -2.63 114.38 113.71 2a7k h ARG 38 Ca 0.11 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.22 2a7k h ARG 38 Cb 0.70 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 2a7k h ARG 38 CO 0.05 0.34 0.53 0.00 -1.07 0.00 0.00 179.97 179.82 2a7k h ALA 39 N 0.82 1.26 -0.18 0.04 0.00 -1.00 -1.13 119.26 119.07 2a7k h ALA 39 Ca 0.03 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2a7k h ALA 39 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2a7k h ALA 39 CO 0.00 0.18 -0.23 -0.97 0.00 0.00 0.00 179.25 178.22 2a7k h ASN 40 N 0.89 0.31 0.71 0.00 -1.24 -1.14 -3.15 115.58 111.96 2a7k h ASN 40 Ca 0.42 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.33 2a7k h ASN 40 Cb 0.34 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2a7k h ASN 40 CO -0.23 0.56 -1.07 0.00 -1.29 0.00 0.00 177.43 175.39 2a7k n ALA 41 N -2.48 2.85 -2.62 1.57 0.00 -1.00 -4.84 120.51 113.98 2a7k n ALA 41 Ca -0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 2a7k n ALA 41 Cb 0.36 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 -4.70 6.78 0.44 0.00 -1.08 -0.46 -4.93 116.67 112.73 2a7k s ASP 42 Ca 0.01 0.83 0.24 0.00 -0.52 0.00 0.00 52.55 53.10 2a7k s ASP 42 Cb 0.12 -2.46 0.97 0.00 -1.46 0.00 0.00 42.92 40.09 2a7k s ASP 42 CO 0.80 -0.72 1.85 -0.78 0.52 0.00 0.00 175.17 176.84 2a7k h ASP 43 N 8.09 0.00 1.07 -0.34 3.58 -1.88 -2.53 116.42 124.41 2a7k h ASP 43 Ca -0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2a7k h ASP 43 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2a7k h ASP 43 CO 0.94 0.23 0.00 0.77 -2.88 0.00 0.00 179.24 178.31 2a7k h SER 44 N 0.00 0.00 -3.73 2.28 4.64 -1.93 -3.42 113.55 111.39 2a7k h SER 44 Ca -0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2a7k h SER 44 Cb 0.70 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.64 2a7k h SER 44 CO 0.03 0.00 -0.30 -0.69 -0.87 0.00 0.00 176.83 175.00 2a7k s VAL 45 N -3.29 5.21 -0.46 0.95 1.01 -0.95 -4.48 120.40 118.39 2a7k s VAL 45 Ca 0.06 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.59 2a7k s VAL 45 Cb 0.10 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2a7k s VAL 45 CO 0.49 0.19 0.40 0.54 0.00 0.00 0.00 175.10 176.72 2a7k n ARG 46 N 5.15 3.42 -3.64 2.72 1.74 0.19 -4.92 116.66 121.32 2a7k n ARG 46 Ca -0.10 -0.29 -0.10 0.00 -0.77 0.00 0.00 57.85 56.60 2a7k n ARG 46 Cb 0.51 -0.89 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 2a7k n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a7k s ALA 47 N -1.25 -1.28 -0.04 7.54 0.00 -1.05 -4.05 121.76 121.62 2a7k s ALA 47 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.06 2a7k s ALA 47 Cb 0.05 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.05 2a7k s ALA 47 CO 0.20 -0.84 -0.04 0.08 0.00 0.00 0.00 175.76 175.15 2a7k s VAL 48 N -3.83 0.53 -0.12 0.00 1.01 0.45 -1.53 120.40 116.89 2a7k s VAL 48 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2a7k s VAL 48 Cb -0.02 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2a7k s VAL 48 CO -0.05 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 174.48 2a7k s VAL 49 N 0.86 3.33 -0.14 2.92 1.01 0.67 0.01 120.40 129.06 2a7k s VAL 49 Ca -0.12 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2a7k s VAL 49 Cb -0.14 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2a7k s VAL 49 CO 0.00 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 174.81 2a7k s VAL 50 N 0.14 3.00 -0.01 2.92 1.01 0.29 -0.24 120.40 127.51 2a7k s VAL 50 Ca -0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2a7k s VAL 50 Cb -0.15 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2a7k s VAL 50 CO 0.04 0.52 0.03 -0.47 0.00 0.00 0.00 175.10 175.23 2a7k s TYR 51 N 0.45 -0.03 -0.50 5.22 5.04 -0.58 -0.94 117.35 126.01 2a7k s TYR 51 Ca -0.10 0.10 0.25 0.00 -2.44 0.00 0.00 57.07 54.89 2a7k s TYR 51 Cb -0.16 -0.03 0.93 0.00 0.35 0.00 0.00 41.96 43.05 2a7k s TYR 51 CO 0.05 -0.03 1.76 0.78 -1.34 0.00 0.00 175.55 176.76 2a7k h GLY 52 N 6.31 0.00 0.00 8.97 0.00 -1.80 0.09 103.07 116.64 2a7k h GLY 52 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2a7k h GLY 52 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.64 2a7k n GLY 53 N 0.50 2.29 3.72 4.60 0.00 -1.26 -4.33 105.19 110.71 2a7k n GLY 53 Ca 0.03 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.91 3.58 -1.63 4.61 0.00 -1.26 -2.66 121.76 121.49 2a7k s ALA 54 Ca 0.00 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 2a7k s ALA 54 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2a7k s ALA 54 CO 0.00 -0.60 0.17 0.39 0.00 0.00 0.00 175.76 175.71 2a7k n GLU 55 N 3.55 -2.46 -4.45 0.00 1.02 -1.26 -5.00 120.64 112.04 2a7k n GLU 55 Ca 0.10 0.93 -0.22 0.00 -0.02 0.00 0.00 57.16 57.95 2a7k n GLU 55 Cb 0.42 -5.57 -0.10 0.00 -0.02 0.00 0.00 31.44 26.17 2a7k n GLU 55 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2a7k s ARG 56 N -5.17 1.69 0.13 3.49 0.52 -1.09 -5.01 118.95 113.52 2a7k s ARG 56 Ca 0.08 -1.96 -0.04 0.00 -0.52 0.00 0.00 55.73 53.29 2a7k s ARG 56 Cb -0.04 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.66 2a7k s ARG 56 CO 0.10 -0.28 0.35 -1.12 0.02 0.00 0.00 175.30 174.38 2a7k s SER 57 N -3.50 6.47 0.09 0.23 0.01 -0.42 -3.78 113.70 112.80 2a7k s SER 57 Ca 0.33 0.54 -0.31 0.00 1.31 0.00 0.00 55.95 57.82 2a7k s SER 57 Cb 0.07 -2.07 -0.14 0.00 0.21 0.00 0.00 66.02 64.09 2a7k s SER 57 CO 0.15 0.06 1.61 0.15 0.41 0.00 0.00 173.24 175.62 2a7k h PHE 58 N 2.82 -0.98 -1.04 2.43 3.57 -0.65 -3.39 116.94 119.70 2a7k h PHE 58 Ca -0.46 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.22 2a7k h PHE 58 Cb 1.16 0.38 -0.28 0.00 2.79 0.00 0.00 35.95 40.01 2a7k h PHE 58 CO 0.61 -0.51 0.44 0.45 -2.23 0.00 0.00 178.31 177.07 2a7k s SER 59 N -4.57 -0.36 0.00 0.41 0.15 -0.71 -4.60 113.70 104.03 2a7k s SER 59 Ca -0.17 0.53 0.16 0.00 0.70 0.00 0.00 55.95 57.18 2a7k s SER 59 Cb 0.06 1.28 0.91 0.00 -1.71 0.00 0.00 66.02 66.56 2a7k s SER 59 CO 0.63 -0.08 1.44 0.00 1.20 0.00 0.00 173.24 176.43 2a7k n ALA 60 N 4.09 2.01 0.00 5.45 0.00 0.30 -1.19 120.51 131.17 2a7k n ALA 60 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2a7k n ALA 60 Cb 0.55 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.07 -1.23 3.75 0.00 0.00 -1.18 -4.48 105.19 102.11 2a7k n GLY 61 Ca 0.10 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 2.88 -0.38 -0.02 0.00 -1.26 -0.33 107.32 108.21 2a7k s GLY 62 Ca 0.00 0.88 -0.34 0.00 0.00 0.00 0.00 44.72 45.26 2a7k s GLY 62 CO 0.00 1.66 1.38 1.22 0.00 0.00 0.00 173.10 177.36 2a7k n ASP 63 N 1.99 0.76 -0.01 1.64 9.92 -1.26 -4.91 116.55 124.68 2a7k n ASP 63 Ca 0.02 0.73 0.08 0.00 -0.53 0.00 0.00 54.79 55.09 2a7k n ASP 63 Cb 0.45 -0.67 -0.12 0.00 -0.64 0.00 0.00 41.12 40.14 2a7k n ASP 63 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2a7k n PHE 64 N 4.17 0.00 0.15 1.24 -0.00 -1.26 -3.03 117.46 118.72 2a7k n PHE 64 Ca 0.31 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.88 2a7k n PHE 64 Cb -0.04 -0.34 0.06 0.00 -0.00 0.00 0.00 39.48 39.17 2a7k n PHE 64 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 176.76 173.81 2a7k h ASN 65 N 0.00 0.00 -0.40 5.98 -1.07 -1.99 -3.15 115.58 114.95 2a7k h ASN 65 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 56.30 56.40 2a7k h ASN 65 Cb 0.70 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.92 2a7k h ASN 65 CO 0.00 0.02 0.21 -0.33 0.07 0.00 0.00 177.43 177.40 2a7k h GLU 66 N 0.00 0.41 0.00 4.14 3.07 -1.97 0.74 114.58 120.97 2a7k h GLU 66 Ca -0.00 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 2a7k h GLU 66 Cb 1.02 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 2a7k h GLU 66 CO 0.00 0.27 -0.56 -0.24 -1.40 0.00 0.00 179.01 177.08 2a7k h VAL 67 N 0.42 1.12 -0.16 3.13 3.04 -1.62 0.66 116.25 122.85 2a7k h VAL 67 Ca 0.17 -2.13 -0.05 0.00 -1.01 0.00 0.00 66.70 63.67 2a7k h VAL 67 Cb 0.06 2.25 -0.00 0.00 -2.01 0.00 0.00 31.29 31.59 2a7k h VAL 67 CO -0.11 0.55 -0.11 0.11 -1.01 0.00 0.00 177.57 177.00 2a7k h LYS 68 N 0.00 0.35 -0.00 4.17 1.57 -1.48 -3.28 116.57 117.90 2a7k h LYS 68 Ca -0.01 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.45 2a7k h LYS 68 Cb 1.20 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2a7k h LYS 68 CO 0.07 0.69 -0.75 -0.56 -0.57 0.00 0.00 179.45 178.33 2a7k h GLN 69 N -0.00 0.04 -6.05 3.15 3.07 -0.81 -3.40 115.11 111.10 2a7k h GLN 69 Ca 0.03 -0.04 -0.79 0.00 0.09 0.00 0.00 58.65 57.94 2a7k h GLN 69 Cb 0.60 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.17 2a7k h GLN 69 CO 0.03 0.77 0.93 1.28 0.09 0.00 0.00 178.83 181.93 2a7k n LEU 70 N -3.67 1.65 0.00 0.06 4.77 0.23 -4.74 117.00 115.30 2a7k n LEU 70 Ca -0.01 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 2a7k n LEU 70 Cb 0.73 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2a7k n LEU 70 CO 0.44 -0.67 0.00 -0.24 -1.33 0.00 0.00 177.39 175.59 2a7k n SER 71 N 5.55 0.00 -4.85 -1.43 2.88 -1.26 -4.88 113.62 109.64 2a7k n SER 71 Ca 0.34 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.53 2a7k n SER 71 Cb 0.04 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 2a7k n SER 71 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2a7k s ARG 72 N 0.00 3.95 0.16 -1.46 0.52 -1.26 -4.98 118.95 115.87 2a7k s ARG 72 Ca 0.00 0.45 -0.26 0.00 -0.52 0.00 0.00 55.73 55.40 2a7k s ARG 72 Cb 0.00 -2.92 0.01 0.00 0.52 0.00 0.00 34.95 32.56 2a7k s ARG 72 CO 0.00 0.48 1.58 0.66 0.02 0.00 0.00 175.30 178.03 2a7k h SER 73 N 3.52 -1.39 -0.80 0.23 4.64 -1.99 -1.57 113.55 116.18 2a7k h SER 73 Ca -0.49 0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.12 2a7k h SER 73 Cb 1.19 0.62 -0.05 0.00 -0.31 0.00 0.00 62.40 63.85 2a7k h SER 73 CO 0.66 -0.36 0.52 1.05 -0.87 0.00 0.00 176.83 177.84 2a7k h GLU 74 N -0.30 0.84 -0.13 4.77 9.09 -1.94 -2.92 114.58 123.98 2a7k h GLU 74 Ca 0.15 -0.05 -0.23 0.00 0.05 0.00 0.00 59.36 59.28 2a7k h GLU 74 Cb 0.58 -0.19 0.01 0.00 -1.65 0.00 0.00 28.75 27.50 2a7k h GLU 74 CO -0.59 0.56 -0.81 -0.44 0.05 0.00 0.00 179.01 177.78 2a7k h ASP 75 N 0.86 0.92 -0.03 3.06 3.32 -1.71 -1.32 116.42 121.53 2a7k h ASP 75 Ca 0.35 -0.62 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 2a7k h ASP 75 Cb 0.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2a7k h ASP 75 CO -0.12 1.42 -0.49 0.40 -1.72 0.00 0.00 179.24 178.72 2a7k h ILE 76 N 0.52 1.31 -0.08 0.35 1.08 -1.29 -2.28 117.51 117.12 2a7k h ILE 76 Ca -0.06 -1.71 -0.06 0.00 -0.39 0.00 0.00 64.86 62.64 2a7k h ILE 76 Cb 1.44 1.68 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 2a7k h ILE 76 CO 0.16 0.54 -0.17 -0.33 -0.69 0.00 0.00 178.15 177.66 2a7k h GLU 77 N 0.46 0.26 -0.85 2.37 5.08 -1.53 -0.19 114.58 120.18 2a7k h GLU 77 Ca 0.02 -0.17 0.22 0.00 -1.00 0.00 0.00 59.36 58.43 2a7k h GLU 77 Cb 1.03 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.16 2a7k h GLU 77 CO 0.10 0.77 0.15 1.49 -1.00 0.00 0.00 179.01 180.52 2a7k h GLU 78 N -0.22 0.16 -0.28 2.33 4.57 -1.28 0.85 114.58 120.70 2a7k h GLU 78 Ca 0.00 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 2a7k h GLU 78 Cb 0.77 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2a7k h GLU 78 CO 0.04 0.10 -0.35 2.35 -1.18 0.00 0.00 179.01 179.97 2a7k h TRP 79 N 0.16 0.90 -0.64 0.92 7.01 -1.23 -1.55 115.95 121.53 2a7k h TRP 79 Ca 0.51 -0.29 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 2a7k h TRP 79 Cb 1.00 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.85 2a7k h TRP 79 CO -0.33 1.06 0.38 0.82 -2.79 0.00 0.00 178.44 177.57 2a7k h ILE 80 N 0.49 1.19 -0.71 2.65 1.08 -0.31 -1.61 117.51 120.29 2a7k h ILE 80 Ca 0.04 -0.43 0.08 0.00 -0.39 0.00 0.00 64.86 64.15 2a7k h ILE 80 Cb 0.93 0.33 -0.06 0.00 -3.07 0.00 0.00 36.82 34.94 2a7k h ILE 80 CO 0.08 0.20 0.38 0.44 -0.69 0.00 0.00 178.15 178.56 2a7k h ASP 81 N 0.86 0.54 -0.36 1.72 3.32 -0.77 -1.64 116.42 120.08 2a7k h ASP 81 Ca 0.23 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2a7k h ASP 81 Cb -0.01 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2a7k h ASP 81 CO -0.04 0.33 0.23 0.03 -1.72 0.00 0.00 179.24 178.07 2a7k h ARG 82 N 0.67 0.48 0.18 3.56 3.08 -0.74 0.13 114.38 121.75 2a7k h ARG 82 Ca 0.34 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2a7k h ARG 82 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2a7k h ARG 82 CO -0.23 0.34 -0.09 0.28 -1.07 0.00 0.00 179.97 179.21 2a7k h VAL 83 N 0.49 0.85 -0.47 2.04 2.07 -1.01 -0.69 116.25 119.52 2a7k h VAL 83 Ca 0.13 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 2a7k h VAL 83 Cb -0.03 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2a7k h VAL 83 CO -0.03 0.03 -0.02 0.40 0.02 0.00 0.00 177.57 177.97 2a7k h ILE 84 N -0.29 1.26 -0.80 4.57 1.08 -1.20 -2.51 117.51 119.62 2a7k h ILE 84 Ca -0.02 -1.09 0.09 0.00 -0.39 0.00 0.00 64.86 63.44 2a7k h ILE 84 Cb 0.23 1.03 -0.07 0.00 -3.07 0.00 0.00 36.82 34.93 2a7k h ILE 84 CO 0.04 0.38 0.45 0.44 -0.69 0.00 0.00 178.15 178.77 2a7k h ASP 85 N 0.70 0.64 -0.61 1.72 3.32 -0.62 0.74 116.42 122.30 2a7k h ASP 85 Ca 0.13 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.28 2a7k h ASP 85 Cb 0.53 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 2a7k h ASP 85 CO 0.03 0.37 0.33 0.25 -1.72 0.00 0.00 179.24 178.50 2a7k h LEU 86 N 0.77 0.49 -0.07 1.55 6.46 -0.71 -1.24 115.31 122.56 2a7k h LEU 86 Ca 0.38 0.03 -0.21 0.00 -0.12 0.00 0.00 57.88 57.96 2a7k h LEU 86 Cb 0.35 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.22 2a7k h LEU 86 CO -0.24 0.33 -0.78 1.88 -0.62 0.00 0.00 178.44 179.00 2a7k h TYR 87 N 0.63 0.92 -0.86 1.25 0.05 -1.02 -3.15 116.97 114.80 2a7k h TYR 87 Ca 0.27 -0.45 0.04 0.00 0.05 0.00 0.00 58.73 58.64 2a7k h TYR 87 Cb 0.16 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 2a7k h TYR 87 CO -0.09 1.28 0.56 1.96 -1.05 0.00 0.00 178.16 180.82 2a7k h GLN 88 N 0.31 1.00 -0.94 4.88 1.08 -0.76 -1.58 115.11 119.10 2a7k h GLN 88 Ca -0.08 -0.06 0.11 0.00 -1.45 0.00 0.00 58.65 57.17 2a7k h GLN 88 Cb 1.44 -0.23 -0.07 0.00 -0.05 0.00 0.00 27.48 28.57 2a7k h GLN 88 CO 0.16 0.66 0.60 0.00 -0.95 0.00 0.00 178.83 179.30 2a7k h ALA 89 N 1.51 1.61 -0.01 3.87 0.00 -1.18 -0.33 119.26 124.73 2a7k h ALA 89 Ca 0.35 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 2a7k h ALA 89 Cb 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.68 2a7k h ALA 89 CO -0.11 0.18 -0.60 0.28 0.00 0.00 0.00 179.25 179.00 2a7k h VAL 90 N 0.92 1.42 0.00 0.00 2.07 -1.38 -3.30 116.25 115.98 2a7k h VAL 90 Ca 0.45 -2.06 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 2a7k h VAL 90 Cb 0.46 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 2a7k h VAL 90 CO -0.21 0.60 -0.17 -0.07 0.02 0.00 0.00 177.57 177.74 2a7k h LEU 91 N -0.06 0.00 -0.97 2.57 3.38 -0.83 -2.50 115.31 116.90 2a7k h LEU 91 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2a7k h LEU 91 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2a7k h LEU 91 CO 0.12 0.17 0.00 0.59 0.09 0.00 0.00 178.44 179.41 2a7k n ASN 92 N -4.03 1.46 -4.66 -0.43 3.02 -0.18 -4.80 115.26 105.64 2a7k n ASN 92 Ca -0.02 -1.62 -0.43 0.00 -0.03 0.00 0.00 54.58 52.48 2a7k n ASN 92 Cb 0.25 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 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 -1.86 4.18 -2.25 2.41 1.01 -0.94 -4.91 120.40 118.04 2a7k s VAL 93 Ca 0.34 1.42 0.20 0.00 0.00 0.00 0.00 61.98 63.93 2a7k s VAL 93 Cb 0.18 -3.94 0.43 0.00 0.00 0.00 0.00 36.38 33.05 2a7k s VAL 93 CO 0.28 -0.15 1.49 0.59 0.00 0.00 0.00 175.10 177.30 2a7k n ASN 94 N 6.77 1.91 -4.72 3.32 4.13 -1.26 -4.80 115.26 120.61 2a7k n ASN 94 Ca 0.14 -1.79 -0.23 0.00 1.68 0.00 0.00 54.58 54.39 2a7k n ASN 94 Cb 0.45 -0.15 -0.06 0.00 -1.54 0.00 0.00 39.78 38.48 2a7k n ASN 94 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2a7k s LYS 95 N -1.71 2.35 0.26 3.52 -2.85 -1.26 -4.34 119.74 115.72 2a7k s LYS 95 Ca 0.32 -1.55 -0.30 0.00 -1.00 0.00 0.00 55.97 53.43 2a7k s LYS 95 Cb 0.17 -2.16 -0.13 0.00 -2.06 0.00 0.00 37.83 33.65 2a7k s LYS 95 CO 0.25 0.12 1.30 -2.30 0.10 0.00 0.00 175.35 174.82 2a7k n PRO 96 N -1.13 1.86 -5.16 1.78 -0.02 -1.26 -4.82 135.00 126.26 2a7k n PRO 96 Ca -0.03 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 2a7k n PRO 96 Cb 0.61 -2.24 -0.16 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.44 1.87 -0.06 3.45 -4.23 -1.26 -0.41 115.64 114.56 2a7k s THR 97 Ca 0.65 -0.98 0.03 0.00 -1.18 0.00 0.00 61.69 60.20 2a7k s THR 97 Cb -0.66 -1.58 0.01 0.00 1.34 0.00 0.00 72.50 71.61 2a7k s THR 97 CO 0.54 0.53 -0.14 -0.63 -0.54 0.00 0.00 174.62 174.38 2a7k s ILE 98 N -0.27 1.23 -0.20 2.99 -1.09 0.10 -1.96 121.20 122.00 2a7k s ILE 98 Ca 0.01 -0.55 -0.13 0.00 -2.23 0.00 0.00 60.65 57.75 2a7k s ILE 98 Cb -0.12 -1.10 -0.05 0.00 -1.58 0.00 0.00 42.46 39.61 2a7k s ILE 98 CO 0.02 0.37 0.28 0.00 -1.23 0.00 0.00 174.94 174.38 2a7k s ALA 99 N 0.52 3.59 -0.45 9.38 0.00 -0.51 -0.54 121.76 133.76 2a7k s ALA 99 Ca -0.13 -0.63 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 2a7k s ALA 99 Cb -0.15 -2.44 0.11 0.00 0.00 0.00 0.00 23.12 20.64 2a7k s ALA 99 CO 0.04 -0.13 0.30 0.00 0.00 0.00 0.00 175.76 175.97 2a7k s ALA 100 N 0.94 3.33 -0.33 0.00 0.00 -0.12 -1.22 121.76 124.37 2a7k s ALA 100 Ca 0.14 -2.43 -0.13 0.00 0.00 0.00 0.00 51.96 49.54 2a7k s ALA 100 Cb -0.14 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2a7k s ALA 100 CO 0.05 -1.82 0.25 0.08 0.00 0.00 0.00 175.76 174.32 2a7k s VAL 101 N 1.35 5.28 0.28 0.00 1.01 0.70 -4.05 120.40 124.96 2a7k s VAL 101 Ca 0.05 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.96 2a7k s VAL 101 Cb -0.25 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2a7k s VAL 101 CO -0.00 0.01 -0.07 -0.62 0.00 0.00 0.00 175.10 174.42 2a7k s ASP 102 N 1.73 2.82 1.27 3.32 -1.08 -1.26 -1.27 116.67 122.20 2a7k s ASP 102 Ca 0.07 -1.18 0.00 0.00 -0.52 0.00 0.00 52.55 50.92 2a7k s ASP 102 Cb -0.17 -0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.11 2a7k s ASP 102 CO 0.11 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 176.09 2a7k n GLY 103 N -0.58 3.18 3.88 2.66 0.00 -1.25 -0.90 105.19 112.18 2a7k n GLY 103 Ca -0.06 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 3.61 -0.34 1.61 2.02 -1.26 -1.44 117.35 121.55 2a7k s TYR 104 Ca 0.00 0.56 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 2a7k s TYR 104 Cb 0.00 -1.97 0.10 0.00 -0.40 0.00 0.00 41.96 39.69 2a7k s TYR 104 CO 0.00 0.70 0.06 0.00 -1.57 0.00 0.00 175.55 174.74 2a7k s ALA 105 N -1.10 2.73 -0.09 3.71 0.00 0.11 -1.73 121.76 125.38 2a7k s ALA 105 Ca 0.19 -2.44 0.04 0.00 0.00 0.00 0.00 51.96 49.75 2a7k s ALA 105 Cb -0.13 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.06 2a7k s ALA 105 CO 0.08 -1.69 -0.23 0.42 0.00 0.00 0.00 175.76 174.34 2a7k s ILE 106 N 0.98 2.14 0.00 0.00 1.01 -0.33 -0.75 121.20 124.25 2a7k s ILE 106 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2a7k s ILE 106 Cb -0.19 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2a7k s ILE 106 CO -0.10 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2a7k n GLY 107 N 3.35 2.88 0.37 6.18 0.00 -0.27 -1.12 105.19 116.59 2a7k n GLY 107 Ca -0.18 0.23 0.16 0.00 0.00 0.00 0.00 46.02 46.23 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 0.20 -0.56 1.61 2.86 -1.91 -0.14 114.93 116.99 2a7k h MET 108 Ca 0.00 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2a7k h MET 108 Cb 0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2a7k h MET 108 CO 0.00 0.13 0.04 0.78 1.06 0.00 0.00 176.91 178.92 2a7k h GLY 109 N 0.20 1.00 0.58 8.32 0.00 -1.28 0.26 103.07 112.15 2a7k h GLY 109 Ca 0.28 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2a7k h GLY 109 CO -0.05 0.62 -0.06 -2.75 0.00 0.00 0.00 176.54 174.30 2a7k h PHE 110 N 0.86 -0.16 -0.62 5.60 3.04 -1.37 -2.43 116.94 121.86 2a7k h PHE 110 Ca 0.17 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.13 2a7k h PHE 110 Cb 0.46 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 2a7k h PHE 110 CO 0.03 0.23 0.40 1.96 -2.02 0.00 0.00 178.31 178.91 2a7k h GLN 111 N -0.60 0.79 -0.52 1.11 4.20 -1.00 -2.49 115.11 116.61 2a7k h GLN 111 Ca -0.02 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.72 2a7k h GLN 111 Cb 0.46 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 2a7k h GLN 111 CO 0.03 0.53 0.17 0.35 -0.67 0.00 0.00 178.83 179.24 2a7k h PHE 112 N 0.82 0.30 -0.03 2.96 3.57 -0.51 -2.57 116.94 121.48 2a7k h PHE 112 Ca 0.23 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2a7k h PHE 112 Cb -0.06 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2a7k h PHE 112 CO -0.04 0.08 -0.13 0.00 -2.23 0.00 0.00 178.31 175.99 2a7k h ALA 113 N 1.36 1.73 0.00 2.41 0.00 -1.01 -2.22 119.26 121.53 2a7k h ALA 113 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2a7k h ALA 113 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2a7k h ALA 113 CO -0.27 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.47 2a7k n LEU 114 N -4.36 0.27 0.13 0.00 4.77 -0.97 -2.67 117.00 114.17 2a7k n LEU 114 Ca -0.02 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 2a7k n LEU 114 Cb 0.22 -0.54 0.30 0.00 -2.33 0.00 0.00 43.42 41.06 2a7k n LEU 114 CO 0.36 -0.42 0.77 0.24 -1.33 0.00 0.00 177.39 177.01 2a7k h MET 115 N 0.00 0.00 -7.11 3.23 2.86 -1.43 -3.47 114.93 109.01 2a7k h MET 115 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 2a7k h MET 115 Cb 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2a7k h MET 115 CO 0.00 0.00 0.35 -0.06 1.06 0.00 0.00 176.91 178.26 2a7k s PHE 116 N -3.15 3.37 0.28 -0.22 0.40 -1.09 -4.46 117.98 113.12 2a7k s PHE 116 Ca 0.09 1.54 -0.00 0.00 -0.60 0.00 0.00 56.93 57.95 2a7k s PHE 116 Cb 0.11 -2.82 0.40 0.00 0.51 0.00 0.00 43.02 41.22 2a7k s PHE 116 CO 0.64 -0.22 1.79 -0.44 0.70 0.00 0.00 175.22 177.69 2a7k h ASP 117 N 1.48 0.69 -5.03 1.36 3.32 -1.73 -3.44 116.42 113.07 2a7k h ASP 117 Ca -0.48 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 56.27 2a7k h ASP 117 Cb 1.18 -0.18 -0.19 0.00 0.22 0.00 0.00 39.33 40.36 2a7k h ASP 117 CO 0.61 0.76 -0.56 -1.10 -1.72 0.00 0.00 179.24 177.23 2a7k s GLN 118 N -4.97 0.49 -0.07 3.56 -1.52 -1.05 -5.03 119.66 111.07 2a7k s GLN 118 Ca -0.09 -0.61 0.03 0.00 -1.95 0.00 0.00 55.36 52.74 2a7k s GLN 118 Cb 0.15 0.19 0.01 0.00 -0.22 0.00 0.00 33.01 33.14 2a7k s GLN 118 CO 0.80 -0.11 -0.14 1.03 -0.25 0.00 0.00 175.29 176.61 2a7k s ARG 119 N -1.94 1.95 0.08 2.91 0.52 -1.26 -1.42 118.95 119.79 2a7k s ARG 119 Ca -0.11 -0.50 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 2a7k s ARG 119 Cb -0.05 -1.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 2a7k s ARG 119 CO -0.02 0.05 -0.14 -0.51 0.02 0.00 0.00 175.30 174.70 2a7k s LEU 120 N 0.62 2.83 0.14 2.53 1.43 -0.36 -0.44 118.68 125.43 2a7k s LEU 120 Ca -0.15 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2a7k s LEU 120 Cb -0.16 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2a7k s LEU 120 CO 0.05 0.21 -0.11 0.00 0.23 0.00 0.00 176.35 176.73 2a7k s MET 121 N -1.89 1.03 0.57 1.70 0.23 -0.52 -0.21 119.30 120.21 2a7k s MET 121 Ca 0.18 -1.38 -0.16 0.00 -1.03 0.00 0.00 55.69 53.31 2a7k s MET 121 Cb -0.11 -0.67 -0.05 0.00 -1.53 0.00 0.00 34.83 32.47 2a7k s MET 121 CO 0.10 0.10 1.04 0.00 -2.03 0.00 0.00 175.02 174.22 2a7k s ALA 122 N -2.99 2.84 -0.30 3.16 0.00 -0.40 -1.48 121.76 122.60 2a7k s ALA 122 Ca 0.14 0.31 0.26 0.00 0.00 0.00 0.00 51.96 52.67 2a7k s ALA 122 Cb 0.00 -3.19 1.13 0.00 0.00 0.00 0.00 23.12 21.06 2a7k s ALA 122 CO 0.01 -0.64 1.77 0.66 0.00 0.00 0.00 175.76 177.56 2a7k h SER 123 N 0.54 0.00 -0.38 0.00 4.64 -0.94 -2.22 113.55 115.18 2a7k h SER 123 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2a7k h SER 123 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2a7k h SER 123 CO 0.59 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.90 2a7k n THR 124 N -2.41 0.76 -2.49 2.95 -2.24 -1.26 -4.40 114.28 105.18 2a7k n THR 124 Ca 0.01 -0.88 -0.28 0.00 -2.27 0.00 0.00 64.05 60.64 2a7k n THR 124 Cb 0.21 0.70 0.01 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.08 3.34 -0.02 6.98 0.00 -0.84 -4.68 121.76 125.48 2a7k s ALA 125 Ca 0.29 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2a7k s ALA 125 Cb 0.16 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.64 2a7k s ALA 125 CO 0.22 -0.50 -0.03 -0.80 0.00 0.00 0.00 175.76 174.65 2a7k s ASN 126 N -4.16 0.55 -0.14 0.00 -0.87 -0.52 -3.60 114.94 106.20 2a7k s ASN 126 Ca 0.50 -0.07 -0.07 0.00 -1.57 0.00 0.00 52.86 51.64 2a7k s ASN 126 Cb -0.10 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.25 40.91 2a7k s ASN 126 CO 0.46 -0.01 0.13 -0.36 -2.57 0.00 0.00 177.10 174.75 2a7k s PHE 127 N 0.39 3.52 -0.04 2.20 0.40 -0.42 -0.72 117.98 123.32 2a7k s PHE 127 Ca -0.04 0.45 -0.03 0.00 -0.60 0.00 0.00 56.93 56.70 2a7k s PHE 127 Cb -0.07 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.48 2a7k s PHE 127 CO -0.01 0.60 0.10 0.08 0.70 0.00 0.00 175.22 176.69 2a7k s VAL 128 N -0.64 -0.01 -0.57 -0.44 1.01 0.07 -0.17 120.40 119.66 2a7k s VAL 128 Ca 0.13 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2a7k s VAL 128 Cb -0.12 -0.16 0.25 0.00 0.00 0.00 0.00 36.38 36.36 2a7k s VAL 128 CO 0.02 0.01 0.69 0.80 0.00 0.00 0.00 175.10 176.63 2a7k n MET 129 N 3.25 2.04 -0.18 2.72 1.56 -1.26 -1.11 117.12 124.14 2a7k n MET 129 Ca -0.15 -4.27 0.07 0.00 -0.27 0.00 0.00 57.70 53.08 2a7k n MET 129 Cb 0.58 -1.97 0.21 0.00 2.15 0.00 0.00 33.22 34.19 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 0.95 1.91 -0.32 2.12 -0.04 -1.26 -4.52 135.00 133.84 2a7k n PRO 130 Ca 0.28 -1.40 -0.01 0.00 -0.04 0.00 0.00 63.50 62.33 2a7k n PRO 130 Cb 0.45 -1.33 0.05 0.00 -0.04 0.00 0.00 33.50 32.63 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 2.37 -0.04 -0.60 0.54 3.07 -1.90 -1.32 114.58 116.70 2a7k h GLU 131 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2a7k h GLU 131 Cb 0.54 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 2a7k h GLU 131 CO 0.00 -0.03 0.09 -0.07 -1.40 0.00 0.00 179.01 177.60 2a7k h LEU 132 N -0.04 0.93 -1.77 1.33 3.38 -1.81 0.19 115.31 117.51 2a7k h LEU 132 Ca 0.34 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2a7k h LEU 132 Cb 0.60 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2a7k h LEU 132 CO -0.89 0.93 0.29 0.50 0.09 0.00 0.00 178.44 179.36 2a7k h LYS 133 N 0.91 0.26 -0.54 1.13 3.64 -1.57 -2.35 116.57 118.05 2a7k h LYS 133 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2a7k h LYS 133 Cb 0.41 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2a7k h LYS 133 CO 0.01 0.17 0.00 0.72 -2.27 0.00 0.00 179.45 178.09 2a7k n HIS 134 N -4.47 0.71 -1.47 1.91 8.25 -0.58 -4.94 115.22 114.64 2a7k n HIS 134 Ca 0.06 -0.36 -0.04 0.00 -0.26 0.00 0.00 57.72 57.12 2a7k n HIS 134 Cb 0.31 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 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 1.59 0.53 3.67 -1.41 0.00 -0.89 -5.03 105.19 103.65 2a7k n GLY 135 Ca 0.22 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.18 4.67 0.40 -0.61 -1.09 -0.05 -5.00 121.20 117.35 2a7k s ILE 136 Ca 0.00 -0.09 -0.27 0.00 -2.23 0.00 0.00 60.65 58.06 2a7k s ILE 136 Cb 0.00 -3.05 -0.10 0.00 -1.58 0.00 0.00 42.46 37.73 2a7k s ILE 136 CO 0.00 0.53 1.46 0.61 -1.23 0.00 0.00 174.94 176.30 2a7k n GLY 137 N 2.91 1.09 0.54 6.18 0.00 -1.26 -3.31 105.19 111.33 2a7k n GLY 137 Ca -0.18 0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.17 2a7k n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7k h SER 139 N 0.87 0.29 -0.10 0.00 4.64 -1.99 0.12 113.55 117.38 2a7k h SER 139 Ca -0.00 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2a7k h SER 139 Cb 1.01 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2a7k h SER 139 CO 0.00 0.66 -0.21 0.58 -0.87 0.00 0.00 176.83 176.99 2a7k h VAL 140 N 0.24 1.39 -0.73 0.95 2.07 -1.94 -1.33 116.25 116.90 2a7k h VAL 140 Ca 0.02 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 2a7k h VAL 140 Cb 0.79 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 2a7k h VAL 140 CO 0.06 0.43 0.41 1.23 0.02 0.00 0.00 177.57 179.73 2a7k h GLY 141 N -0.13 1.07 0.91 2.17 0.00 -1.86 -2.35 103.07 102.88 2a7k h GLY 141 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2a7k h GLY 141 CO 0.05 0.44 0.09 0.00 0.00 0.00 0.00 176.54 177.12 2a7k h ALA 142 N 1.45 0.43 -0.49 3.60 0.00 -0.75 -1.48 119.26 122.03 2a7k h ALA 142 Ca 0.26 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2a7k h ALA 142 Cb -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2a7k h ALA 142 CO -0.05 0.08 0.31 0.00 0.00 0.00 0.00 179.25 179.59 2a7k h ALA 143 N 0.93 0.62 -0.08 0.00 0.00 -0.97 0.72 119.26 120.49 2a7k h ALA 143 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2a7k h ALA 143 Cb 0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2a7k h ALA 143 CO -0.00 0.03 -0.01 0.82 0.00 0.00 0.00 179.25 180.09 2a7k h ILE 144 N 0.63 1.27 -0.08 0.00 2.04 -1.36 -1.75 117.51 118.26 2a7k h ILE 144 Ca 0.19 -0.85 -0.15 0.00 1.00 0.00 0.00 64.86 65.04 2a7k h ILE 144 Cb -0.03 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2a7k h ILE 144 CO -0.06 0.24 -0.62 0.25 0.00 0.00 0.00 178.15 177.95 2a7k h LEU 145 N -0.17 0.33 -1.15 1.44 5.85 -1.17 0.30 115.31 120.75 2a7k h LEU 145 Ca 0.02 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2a7k h LEU 145 Cb 0.38 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2a7k h LEU 145 CO 0.01 0.87 0.49 1.23 -0.34 0.00 0.00 178.44 180.70 2a7k h GLY 146 N 1.42 1.14 0.74 3.75 0.00 -0.79 0.19 103.07 109.51 2a7k h GLY 146 Ca -0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 2a7k h GLY 146 CO 0.10 0.44 -0.24 -2.75 0.00 0.00 0.00 176.54 174.10 2a7k h PHE 147 N 1.09 0.47 0.17 5.60 3.57 -0.72 -2.17 116.94 124.95 2a7k h PHE 147 Ca 0.29 -0.17 -0.31 0.00 3.53 0.00 0.00 57.97 61.31 2a7k h PHE 147 Cb -0.07 -0.09 0.03 0.00 2.79 0.00 0.00 35.95 38.61 2a7k h PHE 147 CO 0.00 0.85 -1.32 1.79 -2.23 0.00 0.00 178.31 177.41 2a7k h THR 148 N -0.04 1.33 0.00 4.41 1.35 -0.83 -3.38 112.91 115.75 2a7k h THR 148 Ca 0.01 -2.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 2a7k h THR 148 Cb 0.82 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 2a7k h THR 148 CO 0.05 0.80 0.00 1.41 -0.25 0.00 0.00 175.52 177.53 2a7k n HIS 149 N -3.71 0.00 0.00 4.73 8.25 0.64 -5.08 115.22 120.05 2a7k n HIS 149 Ca -0.13 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2a7k n HIS 149 Cb 1.03 -0.01 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 -0.06 -0.61 0.05 -1.41 0.00 -0.81 -4.48 105.19 97.87 2a7k n GLY 150 Ca 0.00 -1.67 -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 0.01 -0.26 1.61 3.57 -1.86 -1.66 116.94 118.35 2a7k h PHE 151 Ca 0.00 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2a7k h PHE 151 Cb 0.00 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2a7k h PHE 151 CO 0.00 0.26 -0.34 0.66 -2.23 0.00 0.00 178.31 176.66 2a7k h SER 152 N -0.25 0.58 -0.35 0.41 4.64 -1.96 -0.38 113.55 116.24 2a7k h SER 152 Ca 0.00 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 2a7k h SER 152 Cb 0.26 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2a7k h SER 152 CO 0.00 0.88 -0.13 0.74 -0.87 0.00 0.00 176.83 177.45 2a7k h THR 153 N 0.47 1.28 -0.43 2.95 2.02 -1.78 -2.36 112.91 115.08 2a7k h THR 153 Ca 0.05 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.04 2a7k h THR 153 Cb 0.82 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 2a7k h THR 153 CO 0.07 0.40 0.21 -0.03 0.37 0.00 0.00 175.52 176.54 2a7k h MET 154 N 0.49 0.41 -0.34 6.66 -1.53 -0.98 -1.76 114.93 117.89 2a7k h MET 154 Ca 0.08 -0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.36 2a7k h MET 154 Cb 0.66 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.57 2a7k h MET 154 CO 0.04 0.27 0.08 1.96 0.14 0.00 0.00 176.91 179.40 2a7k h GLN 155 N 0.42 0.20 -0.16 0.39 4.20 -0.99 -1.19 115.11 117.98 2a7k h GLN 155 Ca 0.18 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.92 2a7k h GLN 155 Cb 0.10 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2a7k h GLN 155 CO -0.13 0.13 -0.05 1.49 -0.67 0.00 0.00 178.83 179.60 2a7k h GLU 156 N 0.20 -0.01 -0.07 1.46 4.81 -1.21 -1.36 114.58 118.40 2a7k h GLU 156 Ca 0.16 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2a7k h GLU 156 Cb 0.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2a7k h GLU 156 CO -0.20 -0.01 -0.01 0.82 -0.73 0.00 0.00 179.01 178.89 2a7k h ILE 157 N -0.01 1.28 0.00 2.32 2.04 -1.00 -1.70 117.51 120.43 2a7k h ILE 157 Ca 0.08 -0.86 -0.09 0.00 1.00 0.00 0.00 64.86 64.98 2a7k h ILE 157 Cb 0.13 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2a7k h ILE 157 CO -0.18 0.24 -0.45 0.16 0.00 0.00 0.00 178.15 177.93 2a7k h ILE 158 N -0.19 1.05 0.00 -0.67 3.07 -1.20 -2.58 117.51 116.99 2a7k h ILE 158 Ca 0.02 -1.70 -0.10 0.00 1.55 0.00 0.00 64.86 64.64 2a7k h ILE 158 Cb 0.38 1.99 -0.02 0.00 -0.27 0.00 0.00 36.82 38.91 2a7k h ILE 158 CO 0.01 0.44 -1.41 -1.22 -1.05 0.00 0.00 178.15 174.92 2a7k n TYR 159 N -3.61 0.79 0.02 0.16 4.01 -0.52 -4.18 117.16 113.82 2a7k n TYR 159 Ca -0.00 0.25 -0.06 0.00 -0.16 0.00 0.00 57.90 57.92 2a7k n TYR 159 Cb 0.54 -0.96 -0.12 0.00 -0.31 0.00 0.00 39.34 38.50 2a7k n TYR 159 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2a7k h GLN 160 N 0.00 0.00 -6.41 -0.72 4.20 -1.34 -3.49 115.11 107.36 2a7k h GLN 160 Ca -0.11 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.12 2a7k h GLN 160 Cb 1.33 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.05 2a7k h GLN 160 CO 0.02 0.60 -0.83 0.00 -0.67 0.00 0.00 178.83 177.96 2a7k s GLN 162 N -6.53 3.63 -0.09 0.00 -0.21 -1.26 -4.77 119.66 110.43 2a7k s GLN 162 Ca 0.35 -0.05 -0.30 0.00 0.02 0.00 0.00 55.36 55.38 2a7k s GLN 162 Cb -0.18 -2.75 -0.03 0.00 1.00 0.00 0.00 33.01 31.05 2a7k s GLN 162 CO 0.86 0.34 1.38 0.45 -2.12 0.00 0.00 175.29 176.21 2a7k s SER 163 N -2.83 6.87 -0.46 5.90 0.15 -1.26 -4.45 113.70 117.62 2a7k s SER 163 Ca 0.42 1.93 -0.16 0.00 0.70 0.00 0.00 55.95 58.85 2a7k s SER 163 Cb -0.11 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.72 2a7k s SER 163 CO 0.27 -0.78 0.39 -0.76 1.20 0.00 0.00 173.24 173.56 2a7k s LEU 164 N 3.28 5.48 0.92 3.45 1.43 0.76 -4.96 118.68 129.04 2a7k s LEU 164 Ca 0.61 -1.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 2a7k s LEU 164 Cb -0.27 -2.20 0.17 0.00 0.03 0.00 0.00 46.19 43.92 2a7k s LEU 164 CO 0.22 -0.62 1.28 1.51 0.23 0.00 0.00 176.35 178.97 2a7k s ASP 165 N 2.41 3.50 0.15 2.29 -4.77 -1.26 -1.29 116.67 117.69 2a7k s ASP 165 Ca 0.05 0.40 -0.22 0.00 -3.30 0.00 0.00 52.55 49.48 2a7k s ASP 165 Cb -0.23 -0.56 0.03 0.00 -1.09 0.00 0.00 42.92 41.07 2a7k s ASP 165 CO 0.08 -2.51 1.63 0.00 0.70 0.00 0.00 175.17 175.08 2a7k h ALA 166 N -1.48 -0.08 -0.83 2.11 0.00 -1.77 -0.02 119.26 117.20 2a7k h ALA 166 Ca -0.45 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.62 2a7k h ALA 166 Cb 1.26 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2a7k h ALA 166 CO 0.45 -0.64 0.54 -1.35 0.00 0.00 0.00 179.25 178.25 2a7k h PRO 167 N -0.22 0.85 -0.29 0.00 0.11 -1.93 0.06 132.00 130.57 2a7k h PRO 167 Ca 0.14 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.08 2a7k h PRO 167 Cb 0.44 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2a7k h PRO 167 CO -0.38 0.56 -0.33 -0.09 -0.21 0.00 0.00 178.00 177.54 2a7k h ARG 168 N 0.87 0.64 -0.42 1.05 9.65 -1.65 -0.55 114.38 123.98 2a7k h ARG 168 Ca 0.36 -0.30 -0.14 0.00 -1.10 0.00 0.00 59.98 58.81 2a7k h ARG 168 Cb 0.29 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2a7k h ARG 168 CO -0.14 0.89 -0.28 0.00 2.80 0.00 0.00 179.97 183.24 2a7k h VAL 170 N 0.76 1.06 -0.93 0.00 2.07 -0.88 0.24 116.25 118.56 2a7k h VAL 170 Ca 0.09 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.55 2a7k h VAL 170 Cb 0.85 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 2a7k h VAL 170 CO 0.07 0.04 0.60 -0.78 0.02 0.00 0.00 177.57 177.52 2a7k h ASP 171 N -0.07 0.83 1.11 0.57 3.58 -1.02 -0.76 116.42 120.66 2a7k h ASP 171 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2a7k h ASP 171 Cb 0.07 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2a7k h ASP 171 CO -0.00 0.47 -0.00 -1.22 -2.88 0.00 0.00 179.24 175.60 2a7k n TYR 172 N -4.56 0.23 -3.29 0.28 4.01 -0.71 -4.93 117.16 108.18 2a7k n TYR 172 Ca 0.17 0.07 -0.20 0.00 -0.16 0.00 0.00 57.90 57.78 2a7k n TYR 172 Cb 0.34 -0.61 0.06 0.00 -0.31 0.00 0.00 39.34 38.82 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 -1.69 -6.08 0.18 -0.72 0.63 -0.29 -4.92 116.66 103.76 2a7k n ARG 173 Ca 0.07 0.72 0.12 0.00 -0.92 0.00 0.00 57.85 57.83 2a7k n ARG 173 Cb 0.36 -5.35 0.17 0.00 0.45 0.00 0.00 32.46 28.09 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 -2.01 0.00 -8.47 6.15 3.38 -0.82 -3.46 115.31 110.08 2a7k h LEU 174 Ca -0.47 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.26 2a7k h LEU 174 Cb 1.31 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.91 2a7k h LEU 174 CO 0.47 0.01 -0.68 0.68 0.09 0.00 0.00 178.44 179.01 2a7k s VAL 175 N -3.22 0.60 -0.09 1.22 -7.23 -1.25 -4.82 120.40 105.61 2a7k s VAL 175 Ca 0.06 -1.93 0.21 0.00 -1.81 0.00 0.00 61.98 58.51 2a7k s VAL 175 Cb 0.07 -1.79 -0.30 0.00 0.56 0.00 0.00 36.38 34.92 2a7k s VAL 175 CO 0.69 -0.77 0.37 0.59 -0.31 0.00 0.00 175.10 175.67 2a7k n ASN 176 N -0.07 0.03 -3.71 4.85 4.13 0.42 -4.77 115.26 116.14 2a7k n ASN 176 Ca -0.11 0.01 -0.14 0.00 1.68 0.00 0.00 54.58 56.02 2a7k n ASN 176 Cb 0.62 1.64 -0.08 0.00 -1.54 0.00 0.00 39.78 40.41 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 -3.20 0.70 -0.10 3.52 -0.21 -1.20 -5.03 119.66 114.14 2a7k s GLN 177 Ca -0.08 0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.39 2a7k s GLN 177 Cb 0.11 0.32 -0.00 0.00 1.00 0.00 0.00 33.01 34.44 2a7k s GLN 177 CO 0.88 -0.18 -0.24 0.08 -2.12 0.00 0.00 175.29 173.71 2a7k s VAL 178 N -0.96 2.10 0.26 1.09 1.01 -1.26 -1.44 120.40 121.20 2a7k s VAL 178 Ca -0.10 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2a7k s VAL 178 Cb -0.04 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2a7k s VAL 178 CO 0.04 0.56 0.18 0.68 0.00 0.00 0.00 175.10 176.57 2a7k s VAL 179 N 0.32 0.06 0.45 2.92 -7.23 -0.55 -4.92 120.40 111.46 2a7k s VAL 179 Ca -0.18 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.76 2a7k s VAL 179 Cb -0.18 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.18 2a7k s VAL 179 CO 0.09 0.00 1.14 -1.61 -0.31 0.00 0.00 175.10 174.41 2a7k s GLU 180 N -3.86 3.81 0.28 4.82 0.41 -1.26 -0.25 118.70 122.65 2a7k s GLU 180 Ca 0.39 1.72 0.02 0.00 -0.41 0.00 0.00 54.97 56.69 2a7k s GLU 180 Cb 0.05 -2.41 0.68 0.00 -1.78 0.00 0.00 34.13 30.67 2a7k s GLU 180 CO 0.18 -0.50 1.67 0.77 -0.49 0.00 0.00 175.26 176.90 2a7k h SER 181 N 2.08 0.13 0.84 -0.19 0.02 -1.93 0.12 113.55 114.61 2a7k h SER 181 Ca -0.49 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2a7k h SER 181 Cb 1.24 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2a7k h SER 181 CO 0.60 -0.08 0.00 0.77 -1.14 0.00 0.00 176.83 176.98 2a7k h SER 182 N 0.29 0.00 -0.00 3.07 4.64 -2.03 -2.61 113.55 116.90 2a7k h SER 182 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2a7k h SER 182 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2a7k h SER 182 CO -0.58 0.00 -0.59 0.00 -0.87 0.00 0.00 176.83 174.79 2a7k n ALA 183 N -1.81 3.72 0.06 5.18 0.00 0.31 -4.77 120.51 123.20 2a7k n ALA 183 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 2a7k n ALA 183 Cb 0.26 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 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 0.67 -0.07 -0.50 0.00 5.85 -0.90 -1.45 115.31 118.90 2a7k h LEU 184 Ca 0.00 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2a7k h LEU 184 Cb 0.44 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2a7k h LEU 184 CO 0.00 0.09 0.19 0.25 -0.34 0.00 0.00 178.44 178.63 2a7k h LEU 185 N -0.24 0.70 -0.71 2.25 5.85 -1.86 -0.66 115.31 120.64 2a7k h LEU 185 Ca -0.01 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2a7k h LEU 185 Cb 0.21 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2a7k h LEU 185 CO 0.01 0.69 0.45 -0.78 -0.34 0.00 0.00 178.44 178.47 2a7k h ASP 186 N 0.67 0.83 -0.44 1.25 1.82 -1.88 -0.02 116.42 118.65 2a7k h ASP 186 Ca 0.16 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.72 2a7k h ASP 186 Cb 0.21 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2a7k h ASP 186 CO -0.01 0.62 0.13 0.00 -1.61 0.00 0.00 179.24 178.36 2a7k h ALA 187 N 1.25 1.29 -0.16 -0.78 0.00 -0.88 0.19 119.26 120.17 2a7k h ALA 187 Ca 0.26 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2a7k h ALA 187 Cb -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2a7k h ALA 187 CO -0.05 0.50 -0.39 0.00 0.00 0.00 0.00 179.25 179.31 2a7k h ALA 188 N 1.41 0.26 -0.66 0.00 0.00 -0.75 -2.21 119.26 117.32 2a7k h ALA 188 Ca 0.16 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2a7k h ALA 188 Cb 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2a7k h ALA 188 CO -0.00 0.36 0.43 0.82 0.00 0.00 0.00 179.25 180.85 2a7k h ILE 189 N 0.19 1.15 -0.26 0.00 2.04 -0.86 -0.91 117.51 118.87 2a7k h ILE 189 Ca -0.00 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.60 2a7k h ILE 189 Cb 1.00 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2a7k h ILE 189 CO 0.08 0.16 0.01 0.74 0.00 0.00 0.00 178.15 179.14 2a7k h THR 190 N 0.87 0.82 -0.27 -0.27 2.02 -0.89 0.21 112.91 115.41 2a7k h THR 190 Ca 0.24 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.35 2a7k h THR 190 Cb -0.08 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2a7k h THR 190 CO -0.06 0.02 -0.02 -0.61 0.37 0.00 0.00 175.52 175.22 2a7k h GLN 191 N 0.09 0.42 -0.35 6.66 5.75 -1.15 -1.61 115.11 124.91 2a7k h GLN 191 Ca 0.12 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 2a7k h GLN 191 Cb 0.15 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2a7k h GLN 191 CO -0.20 0.46 -0.17 0.00 -2.65 0.00 0.00 178.83 176.27 2a7k h ALA 192 N 1.59 1.05 -0.57 3.38 0.00 -0.40 -1.59 119.26 122.71 2a7k h ALA 192 Ca 0.09 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2a7k h ALA 192 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2a7k h ALA 192 CO 0.01 0.57 -0.06 0.45 0.00 0.00 0.00 179.25 180.23 2a7k h HIS 193 N 0.58 1.16 -0.29 0.00 3.86 -0.32 0.32 115.15 120.45 2a7k h HIS 193 Ca 0.09 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 2a7k h HIS 193 Cb 0.62 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2a7k h HIS 193 CO 0.03 1.04 0.09 0.28 0.86 0.00 0.00 177.93 180.23 2a7k h VAL 194 N 0.94 1.20 -0.03 2.45 2.07 -1.09 -2.12 116.25 119.68 2a7k h VAL 194 Ca 0.16 -0.66 -0.14 0.00 0.82 0.00 0.00 66.70 66.88 2a7k h VAL 194 Cb 0.62 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2a7k h VAL 194 CO 0.04 0.22 -0.63 0.24 0.02 0.00 0.00 177.57 177.46 2a7k h MET 195 N 0.32 0.10 0.00 1.57 2.86 -1.27 -2.74 114.93 115.77 2a7k h MET 195 Ca 0.09 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2a7k h MET 195 Cb 0.25 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2a7k h MET 195 CO -0.00 0.70 -0.16 0.00 1.06 0.00 0.00 176.91 178.50 2a7k h ALA 196 N 1.28 1.73 0.00 6.32 0.00 -0.82 -2.76 119.26 125.01 2a7k h ALA 196 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2a7k h ALA 196 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2a7k h ALA 196 CO 0.09 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 2a7k n SER 197 N -4.34 0.77 -4.70 0.00 3.41 -0.81 -4.71 113.62 103.25 2a7k n SER 197 Ca -0.03 0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 58.79 2a7k n SER 197 Cb 0.23 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 2a7k n SER 197 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2a7k s TYR 198 N -3.21 2.76 -0.02 7.33 2.02 -1.04 -4.90 117.35 120.29 2a7k s TYR 198 Ca 0.07 0.54 -0.39 0.00 -0.37 0.00 0.00 57.07 56.92 2a7k s TYR 198 Cb 0.11 -3.89 -0.18 0.00 -0.40 0.00 0.00 41.96 37.59 2a7k s TYR 198 CO 0.50 -3.42 1.29 -2.30 -1.57 0.00 0.00 175.55 170.05 2a7k n PRO 199 N 4.86 0.64 -0.10 -1.71 -0.02 -1.26 -4.83 135.00 132.58 2a7k n PRO 199 Ca 0.14 0.23 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 2a7k n PRO 199 Cb 0.40 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 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 4.24 0.41 -0.08 3.55 0.00 -1.90 -2.46 119.26 123.02 2a7k h ALA 200 Ca -0.49 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.29 2a7k h ALA 200 Cb 1.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2a7k h ALA 200 CO 0.76 0.04 -0.01 1.03 0.00 0.00 0.00 179.25 181.07 2a7k h SER 201 N 0.36 -0.06 -0.19 0.00 0.87 -1.99 0.26 113.55 112.80 2a7k h SER 201 Ca 0.10 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 2a7k h SER 201 Cb 0.24 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2a7k h SER 201 CO -0.00 -0.02 -0.04 0.00 -0.53 0.00 0.00 176.83 176.23 2a7k h ALA 202 N 1.08 1.34 0.09 6.23 0.00 -1.94 -1.80 119.26 124.27 2a7k h ALA 202 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2a7k h ALA 202 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2a7k h ALA 202 CO -0.08 0.45 -0.04 0.35 0.00 0.00 0.00 179.25 179.93 2a7k h PHE 203 N 0.47 -0.12 -0.05 0.00 3.57 -0.85 -2.10 116.94 117.86 2a7k h PHE 203 Ca 0.10 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 2a7k h PHE 203 Cb 0.38 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2a7k h PHE 203 CO 0.01 0.23 -0.11 0.82 -2.23 0.00 0.00 178.31 177.04 2a7k h ILE 204 N -0.48 0.71 -0.67 1.41 2.04 -0.43 0.17 117.51 120.25 2a7k h ILE 204 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2a7k h ILE 204 Cb 0.40 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2a7k h ILE 204 CO 0.02 0.00 0.44 0.78 0.00 0.00 0.00 178.15 179.39 2a7k h ASN 205 N -0.16 0.75 -0.30 1.72 2.35 -1.40 -0.77 115.58 117.77 2a7k h ASN 205 Ca 0.06 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2a7k h ASN 205 Cb 0.24 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2a7k h ASN 205 CO -0.15 0.53 0.04 0.74 -1.65 0.00 0.00 177.43 176.94 2a7k h THR 206 N 0.88 1.24 -0.65 2.81 2.02 -1.01 -2.56 112.91 115.64 2a7k h THR 206 Ca 0.25 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 2a7k h THR 206 Cb -0.07 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2a7k h THR 206 CO -0.07 0.27 0.36 0.50 0.37 0.00 0.00 175.52 176.95 2a7k h LYS 207 N 0.31 0.91 -0.54 6.66 3.64 -0.35 0.12 116.57 127.33 2a7k h LYS 207 Ca 0.09 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2a7k h LYS 207 Cb 0.36 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 2a7k h LYS 207 CO 0.01 0.69 0.21 0.00 -2.27 0.00 0.00 179.45 178.08 2a7k h ARG 208 N 0.89 0.38 -0.62 1.90 3.08 -1.11 0.18 114.38 119.08 2a7k h ARG 208 Ca 0.23 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 2a7k h ARG 208 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2a7k h ARG 208 CO -0.04 0.25 0.03 0.00 -1.07 0.00 0.00 179.97 179.15 2a7k h ALA 209 N 1.35 0.83 -0.13 0.04 0.00 -1.02 -1.48 119.26 118.86 2a7k h ALA 209 Ca 0.26 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2a7k h ALA 209 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2a7k h ALA 209 CO -0.25 0.66 0.08 0.28 0.00 0.00 0.00 179.25 180.01 2a7k h VAL 210 N 0.98 1.08 0.00 0.00 2.07 -0.21 -3.31 116.25 116.86 2a7k h VAL 210 Ca 0.18 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2a7k h VAL 210 Cb 0.53 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2a7k h VAL 210 CO 0.03 0.07 -0.45 0.78 0.02 0.00 0.00 177.57 178.01 2a7k h ASN 211 N 0.14 0.00 -0.36 0.57 4.21 -0.66 -3.38 115.58 116.09 2a7k h ASN 211 Ca 0.05 -0.11 0.07 0.00 1.21 0.00 0.00 56.30 57.52 2a7k h ASN 211 Cb 0.05 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 37.16 2a7k h ASN 211 CO -0.01 0.06 -0.33 0.50 -1.29 0.00 0.00 177.43 176.36 2a7k h LYS 212 N 0.00 -0.26 0.00 0.81 3.64 -1.35 0.12 116.57 119.53 2a7k h LYS 212 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2a7k h LYS 212 Cb 0.80 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2a7k h LYS 212 CO 0.00 -0.18 -0.15 -1.00 -2.27 0.00 0.00 179.45 175.85 2a7k h PRO 213 N -0.27 0.00 -0.08 1.90 0.13 -1.79 -1.21 132.00 130.68 2a7k h PRO 213 Ca 0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 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 -0.51 0.15 -0.06 0.35 -0.23 0.00 0.00 178.00 177.70 2a7k h PHE 214 N 0.00 0.21 -0.63 1.56 3.04 -1.40 -0.36 116.94 119.36 2a7k h PHE 214 Ca -0.00 -0.06 0.04 0.00 3.98 0.00 0.00 57.97 61.92 2a7k h PHE 214 Cb 0.44 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.86 2a7k h PHE 214 CO 0.00 0.59 0.38 0.82 -2.02 0.00 0.00 178.31 178.08 2a7k h ILE 215 N -0.23 1.05 -0.37 1.41 2.04 -0.61 -0.73 117.51 120.07 2a7k h ILE 215 Ca 0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 2a7k h ILE 215 Cb 0.55 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2a7k h ILE 215 CO 0.02 0.13 0.08 -0.74 0.00 0.00 0.00 178.15 177.64 2a7k h HIS 216 N 0.74 0.62 -0.51 1.37 2.76 -1.21 -2.03 115.15 116.89 2a7k h HIS 216 Ca 0.26 -0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.42 2a7k h HIS 216 Cb 0.06 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 28.79 2a7k h HIS 216 CO -0.06 0.62 0.19 1.25 -1.30 0.00 0.00 177.93 178.63 2a7k h LEU 217 N 0.44 0.21 -1.23 0.26 5.85 -0.47 -1.50 115.31 118.87 2a7k h LEU 217 Ca 0.11 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2a7k h LEU 217 Cb 0.32 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2a7k h LEU 217 CO 0.00 0.14 0.35 -0.07 -0.34 0.00 0.00 178.44 178.53 2a7k h LEU 218 N 0.38 0.79 -0.55 2.25 3.38 -0.81 -0.38 115.31 120.36 2a7k h LEU 218 Ca 0.24 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2a7k h LEU 218 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2a7k h LEU 218 CO -0.24 0.63 -0.05 -0.33 0.09 0.00 0.00 178.44 178.55 2a7k h GLU 219 N 0.89 1.01 -0.56 1.13 4.39 -0.92 0.36 114.58 120.89 2a7k h GLU 219 Ca 0.23 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 2a7k h GLU 219 Cb 0.02 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2a7k h GLU 219 CO -0.04 1.03 0.12 1.96 -1.16 0.00 0.00 179.01 180.93 2a7k h GLN 220 N 0.89 0.88 -0.48 2.33 4.20 -0.89 -2.32 115.11 119.72 2a7k h GLN 220 Ca 0.15 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 2a7k h GLN 220 Cb 0.61 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2a7k h GLN 220 CO 0.04 0.80 -0.19 1.15 -0.67 0.00 0.00 178.83 179.95 2a7k h THR 221 N 0.84 1.27 -0.10 -0.54 2.02 -0.78 -0.10 112.91 115.51 2a7k h THR 221 Ca 0.18 -1.35 0.03 0.00 0.77 0.00 0.00 66.41 66.04 2a7k h THR 221 Cb 0.33 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2a7k h THR 221 CO 0.00 0.47 -0.07 -0.09 0.37 0.00 0.00 175.52 176.20 2a7k h ARG 222 N 0.82 -0.08 -0.50 6.66 2.43 -0.75 -0.49 114.38 122.47 2a7k h ARG 222 Ca 0.11 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 2a7k h ARG 222 Cb 0.77 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 2a7k h ARG 222 CO 0.06 -0.05 -0.11 -0.44 -1.51 0.00 0.00 179.97 177.92 2a7k h ASP 223 N -0.08 0.97 -0.16 -3.80 3.32 -1.28 -2.52 116.42 112.87 2a7k h ASP 223 Ca 0.07 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 2a7k h ASP 223 Cb 0.18 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2a7k h ASP 223 CO -0.15 1.10 -0.15 0.00 -1.72 0.00 0.00 179.24 178.32 2a7k h ALA 224 N 0.90 0.24 -0.75 3.45 0.00 -0.82 -2.57 119.26 119.71 2a7k h ALA 224 Ca 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2a7k h ALA 224 Cb 0.67 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2a7k h ALA 224 CO 0.05 0.12 0.36 0.77 0.00 0.00 0.00 179.25 180.55 2a7k h SER 225 N 0.03 0.99 0.47 0.00 0.02 -1.12 -2.61 113.55 111.33 2a7k h SER 225 Ca 0.03 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2a7k h SER 225 Cb 0.68 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2a7k h SER 225 CO 0.04 0.85 -0.31 0.11 -1.14 0.00 0.00 176.83 176.38 2a7k h LYS 226 N 1.06 0.00 0.00 3.45 1.57 -1.49 -2.84 116.57 118.31 2a7k h LYS 226 Ca 0.26 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 2a7k h LYS 226 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2a7k h LYS 226 CO -0.03 0.31 -0.37 0.00 -0.57 0.00 0.00 179.45 178.78 2a7k h ALA 227 N 1.69 0.79 0.42 3.86 0.00 -1.23 -3.24 119.26 121.55 2a7k h ALA 227 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2a7k h ALA 227 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2a7k h ALA 227 CO 0.04 0.47 -0.20 0.28 0.00 0.00 0.00 179.25 179.84 2a7k h VAL 228 N 0.00 0.00 0.00 0.00 2.07 -1.24 -3.23 116.25 113.84 2a7k h VAL 228 Ca -0.00 -0.03 -0.57 0.00 0.82 0.00 0.00 66.70 66.92 2a7k h VAL 228 Cb 1.21 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2a7k h VAL 228 CO 0.05 0.00 3.42 1.41 0.02 0.00 0.00 177.57 182.47 2a7k n HIS 229 N -3.59 2.06 -0.24 1.57 8.25 -1.10 -5.14 115.22 117.03 2a7k n HIS 229 Ca -0.07 -2.70 0.00 0.00 -0.26 0.00 0.00 57.72 54.69 2a7k n HIS 229 Cb 0.22 -2.21 0.00 0.00 1.12 0.00 0.00 29.99 29.12 2a7k n HIS 229 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61