#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i6g n THR 2 N 0.00 0.00 -2.11 2.61 -1.04 -1.26 -5.24 114.28 107.24 2i6g n THR 2 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 2i6g n THR 2 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2i6g n THR 2 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2i6g s VAL 3 N 0.00 2.93 -1.23 12.58 1.01 -1.26 -4.92 120.40 129.51 2i6g s VAL 3 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 2i6g s VAL 3 Cb 0.00 -3.49 0.17 0.00 0.00 0.00 0.00 36.38 33.06 2i6g s VAL 3 CO 0.00 0.12 1.59 0.54 0.00 0.00 0.00 175.10 177.35 2i6g n ARG 4 N 2.51 3.48 -0.89 2.72 1.74 -1.26 -4.62 116.66 120.33 2i6g n ARG 4 Ca 0.07 -3.75 0.00 0.00 -0.77 0.00 0.00 57.85 53.40 2i6g n ARG 4 Cb 0.41 -2.99 0.00 0.00 -1.02 0.00 0.00 32.46 28.87 2i6g n ARG 4 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2i6g n ASP 5 N 4.91 0.77 0.08 0.55 5.68 -1.26 -4.70 116.55 122.58 2i6g n ASP 5 Ca 0.38 -0.64 0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2i6g n ASP 5 Cb 0.40 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.01 2i6g n ASP 5 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2i6g h GLU 6 N 0.00 0.10 0.01 0.11 9.09 -1.96 -2.05 114.58 119.87 2i6g h GLU 6 Ca 0.00 -0.01 -0.21 0.00 0.05 0.00 0.00 59.36 59.20 2i6g h GLU 6 Cb 0.00 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.07 2i6g h GLU 6 CO 0.00 0.07 -0.91 -0.91 0.05 0.00 0.00 179.01 177.31 2i6g h ASN 7 N 0.10 0.31 0.17 3.06 2.35 -1.95 -3.22 115.58 116.41 2i6g h ASN 7 Ca 0.16 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2i6g h ASN 7 Cb 0.49 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2i6g h ASN 7 CO -0.02 1.07 -0.08 0.22 -1.65 0.00 0.00 177.43 176.97 2i6g h TYR 8 N 0.13 -0.21 0.00 1.19 3.20 -1.63 -1.11 116.97 118.53 2i6g h TYR 8 Ca -0.05 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.71 2i6g h TYR 8 Cb 1.55 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.87 2i6g h TYR 8 CO 0.04 -0.00 -0.47 0.74 -1.64 0.00 0.00 178.16 176.82 2i6g h PHE 9 N -0.39 0.00 -0.08 -3.82 0.04 -1.67 -3.03 116.94 107.99 2i6g h PHE 9 Ca -0.02 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 2i6g h PHE 9 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 2i6g h PHE 9 CO -0.02 0.47 -0.28 1.15 -0.60 0.00 0.00 178.31 179.04 2i6g h THR 10 N 0.00 1.41 0.00 -1.55 2.02 -1.55 -1.38 112.91 111.86 2i6g h THR 10 Ca -0.00 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.54 2i6g h THR 10 Cb 0.84 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 2i6g h THR 10 CO 0.06 0.47 0.00 1.21 0.37 0.00 0.00 175.52 177.63 2i6g n GLU 11 N -4.46 0.39 0.00 6.66 2.13 -0.43 -0.65 120.64 124.28 2i6g n GLU 11 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2i6g n GLU 11 Cb 0.47 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 31.02 2i6g n GLU 11 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2i6g n TYR 13 N 0.14 0.00 -1.18 4.31 4.01 -0.53 -5.03 117.16 118.89 2i6g n TYR 13 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 2i6g n TYR 13 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 2i6g n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2i6g n GLY 14 N -0.37 0.84 3.81 2.72 0.00 0.17 -5.00 105.19 107.37 2i6g n GLY 14 Ca 0.00 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 2i6g n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i6g s LEU 15 N -1.39 3.79 0.58 0.99 1.43 -1.25 -5.01 118.68 117.83 2i6g s LEU 15 Ca 0.00 1.78 -0.19 0.00 -1.03 0.00 0.00 54.13 54.69 2i6g s LEU 15 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 2i6g s LEU 15 CO 0.00 -0.67 0.91 0.41 0.23 0.00 0.00 176.35 177.23 2i6g n THR 16 N -1.11 3.40 -1.68 5.49 -1.04 -1.26 -4.31 114.28 113.76 2i6g n THR 16 Ca 0.08 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.17 2i6g n THR 16 Cb 0.53 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 2i6g n THR 16 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2i6g n ARG 17 N -0.79 1.93 -1.50 -2.82 0.63 -1.26 -4.84 116.66 108.02 2i6g n ARG 17 Ca 0.13 0.68 -0.50 0.00 -0.92 0.00 0.00 57.85 57.24 2i6g n ARG 17 Cb 0.47 -2.30 -0.04 0.00 0.45 0.00 0.00 32.46 31.04 2i6g n ARG 17 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2i6g n THR 18 N 0.03 1.27 -1.69 5.15 -1.04 -1.26 -4.77 114.28 111.97 2i6g n THR 18 Ca 0.06 -0.32 -0.44 0.00 -2.04 0.00 0.00 64.05 61.31 2i6g n THR 18 Cb 0.38 -0.38 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2i6g n THR 18 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2i6g n HIS 19 N 0.77 2.40 -0.35 -1.42 -0.00 -1.26 -4.83 115.22 110.53 2i6g n HIS 19 Ca 0.16 0.31 0.13 0.00 0.46 0.00 0.00 57.72 58.78 2i6g n HIS 19 Cb 0.22 -2.53 0.32 0.00 -0.12 0.00 0.00 29.99 27.88 2i6g n HIS 19 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 2i6g h SER 20 N 5.10 0.73 1.11 0.26 0.02 -2.00 -0.74 113.55 118.03 2i6g h SER 20 Ca -0.45 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.53 2i6g h SER 20 Cb 1.25 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2i6g h SER 20 CO 0.82 0.24 -0.33 0.44 -1.14 0.00 0.00 176.83 176.86 2i6g h ASP 21 N 0.72 0.00 -0.13 3.07 3.32 -1.99 -1.50 116.42 119.91 2i6g h ASP 21 Ca 0.58 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.48 2i6g h ASP 21 Cb 0.92 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.48 2i6g h ASP 21 CO -0.40 0.33 -0.51 0.58 -1.72 0.00 0.00 179.24 177.53 2i6g h VAL 22 N 0.00 1.35 -0.76 -1.35 2.07 -1.52 -0.20 116.25 115.85 2i6g h VAL 22 Ca -0.00 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2i6g h VAL 22 Cb 0.98 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 2i6g h VAL 22 CO 0.04 0.55 0.48 -0.07 0.02 0.00 0.00 177.57 178.59 2i6g h LEU 23 N 0.19 0.89 -0.49 2.57 3.38 -1.25 -0.87 115.31 119.73 2i6g h LEU 23 Ca -0.03 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2i6g h LEU 23 Cb 1.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2i6g h LEU 23 CO 0.11 0.67 0.10 0.00 0.09 0.00 0.00 178.44 179.41 2i6g h ALA 24 N 1.26 0.65 -0.19 1.53 0.00 -1.25 -2.95 119.26 118.30 2i6g h ALA 24 Ca 0.27 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2i6g h ALA 24 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2i6g h ALA 24 CO -0.05 0.36 -0.20 0.00 0.00 0.00 0.00 179.25 179.36 2i6g h ALA 25 N 0.98 1.30 0.00 0.00 0.00 -0.78 -3.28 119.26 117.48 2i6g h ALA 25 Ca 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2i6g h ALA 25 Cb 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2i6g h ALA 25 CO 0.01 0.47 0.04 0.00 0.00 0.00 0.00 179.25 179.76 2i6g n ALA 26 N -2.48 2.39 0.00 0.00 0.00 -0.35 -0.23 120.51 119.83 2i6g n ALA 26 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2i6g n ALA 26 Cb 0.34 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2i6g n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i6g n VAL 28 N 2.01 0.00 -3.18 0.00 0.31 -1.24 -4.76 118.33 111.48 2i6g n VAL 28 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.94 2i6g n VAL 28 Cb 0.19 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.04 2i6g n VAL 28 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2i6g s VAL 29 N 0.00 4.96 0.43 2.52 1.01 0.68 -5.04 120.40 124.96 2i6g s VAL 29 Ca 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 2i6g s VAL 29 Cb 0.00 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 2i6g s VAL 29 CO 0.00 -0.26 1.38 0.00 0.00 0.00 0.00 175.10 176.23 2i6g n ALA 30 N 5.88 1.81 -1.59 5.51 0.00 -1.26 -4.88 120.51 125.97 2i6g n ALA 30 Ca -0.03 0.26 -0.53 0.00 0.00 0.00 0.00 53.44 53.14 2i6g n ALA 30 Cb 0.49 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 2i6g n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2i6g n PRO 31 N -0.04 1.04 -0.96 0.00 -0.02 -1.26 -4.93 135.00 128.84 2i6g n PRO 31 Ca 0.05 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2i6g n PRO 31 Cb 0.40 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2i6g n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i6g n GLY 32 N 2.56 1.72 3.64 -1.23 0.00 -1.26 -4.92 105.19 105.71 2i6g n GLY 32 Ca 0.19 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 2i6g n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i6g s ARG 33 N -1.21 3.97 -0.04 1.61 0.52 -1.26 -1.26 118.95 121.28 2i6g s ARG 33 Ca 0.00 1.91 0.04 0.00 -0.52 0.00 0.00 55.73 57.16 2i6g s ARG 33 Cb 0.00 -4.01 -0.00 0.00 0.52 0.00 0.00 34.95 31.46 2i6g s ARG 33 CO 0.00 -1.09 -0.17 0.99 0.02 0.00 0.00 175.30 175.05 2i6g s THR 34 N 4.69 1.41 -0.21 0.02 2.01 0.34 -0.22 115.64 123.68 2i6g s THR 34 Ca 0.72 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 62.02 2i6g s THR 34 Cb -0.29 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2i6g s THR 34 CO 0.29 0.41 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.27 2i6g s LEU 35 N 0.07 2.60 -0.62 4.42 2.96 0.04 -0.47 118.68 127.68 2i6g s LEU 35 Ca -0.04 -0.69 -0.17 0.00 -0.22 0.00 0.00 54.13 53.01 2i6g s LEU 35 Cb -0.12 -1.58 0.13 0.00 0.50 0.00 0.00 46.19 45.13 2i6g s LEU 35 CO 0.02 -0.04 0.65 -0.62 -1.32 0.00 0.00 176.35 175.04 2i6g s ASP 36 N 1.33 6.28 -0.84 3.68 -1.08 0.00 -0.86 116.67 125.18 2i6g s ASP 36 Ca 0.03 -1.77 -0.19 0.00 -0.52 0.00 0.00 52.55 50.10 2i6g s ASP 36 Cb -0.14 -2.26 0.12 0.00 -1.46 0.00 0.00 42.92 39.18 2i6g s ASP 36 CO -0.09 -0.94 1.04 -0.22 0.52 0.00 0.00 175.17 175.48 2i6g s LEU 37 N 1.92 5.02 0.00 -1.34 2.96 0.44 -1.74 118.68 125.94 2i6g s LEU 37 Ca 0.10 -1.79 0.00 0.00 -0.22 0.00 0.00 54.13 52.22 2i6g s LEU 37 Cb -0.24 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.07 2i6g s LEU 37 CO 0.02 -1.13 0.00 0.61 -1.32 0.00 0.00 176.35 174.53 2i6g n GLY 38 N 5.37 0.83 0.00 7.98 0.00 0.98 -4.41 105.19 115.95 2i6g n GLY 38 Ca 0.14 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.59 2i6g n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i6g n GLY 40 N 0.57 4.10 0.56 0.00 0.00 -1.26 -0.66 105.19 108.50 2i6g n GLY 40 Ca 0.08 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2i6g n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i6g n ASN 41 N 8.09 1.68 0.00 1.61 0.23 -1.26 -4.91 115.26 120.70 2i6g n ASN 41 Ca 0.00 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 2i6g n ASN 41 Cb 0.00 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 2i6g n ASN 41 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2i6g n GLY 42 N 1.13 0.60 0.37 4.83 0.00 0.17 -4.63 105.19 107.66 2i6g n GLY 42 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 2i6g n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2i6g h ARG 43 N 1.45 1.25 -0.12 1.61 0.11 -1.92 0.17 114.38 116.94 2i6g h ARG 43 Ca 0.00 -0.09 -0.16 0.00 0.10 0.00 0.00 59.98 59.83 2i6g h ARG 43 Cb 0.00 -0.27 -0.01 0.00 1.11 0.00 0.00 29.97 30.80 2i6g h ARG 43 CO 0.00 0.85 -0.60 -0.91 0.10 0.00 0.00 179.97 179.41 2i6g h ASN 44 N 1.28 0.44 -0.44 0.08 2.35 -1.93 -2.35 115.58 115.01 2i6g h ASN 44 Ca 0.34 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 2i6g h ASN 44 Cb -0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2i6g h ASN 44 CO -0.07 0.94 -0.13 0.28 -1.65 0.00 0.00 177.43 176.80 2i6g h SER 45 N 0.29 0.87 -0.07 5.81 0.02 -1.69 -1.43 113.55 117.34 2i6g h SER 45 Ca -0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2i6g h SER 45 Cb 1.13 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 2i6g h SER 45 CO 0.10 1.04 0.05 -0.07 -1.14 0.00 0.00 176.83 176.81 2i6g h LEU 46 N 0.69 0.09 -0.22 5.07 3.38 -0.66 0.25 115.31 123.91 2i6g h LEU 46 Ca 0.11 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2i6g h LEU 46 Cb 0.67 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2i6g h LEU 46 CO 0.05 0.07 -0.04 0.22 0.09 0.00 0.00 178.44 178.83 2i6g h TYR 47 N 0.09 -0.08 -0.39 1.13 3.20 -1.33 -0.94 116.97 118.65 2i6g h TYR 47 Ca 0.03 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2i6g h TYR 47 Cb 0.00 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2i6g h TYR 47 CO -0.07 -0.08 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.29 2i6g h LEU 48 N 0.02 0.68 -1.11 2.82 3.38 -1.11 -2.37 115.31 117.62 2i6g h LEU 48 Ca 0.11 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2i6g h LEU 48 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2i6g h LEU 48 CO -0.21 0.83 -0.10 0.00 0.09 0.00 0.00 178.44 179.05 2i6g h ALA 49 N 0.87 1.26 0.00 1.53 0.00 -0.83 -1.56 119.26 120.53 2i6g h ALA 49 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2i6g h ALA 49 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2i6g h ALA 49 CO 0.02 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.76 2i6g n ALA 50 N -2.48 1.95 -1.60 0.00 0.00 -0.37 -3.41 120.51 114.60 2i6g n ALA 50 Ca 0.01 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 2i6g n ALA 50 Cb 0.31 -1.42 0.15 0.00 0.00 0.00 0.00 19.45 18.49 2i6g n ALA 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i6g n ASN 51 N -2.20 3.31 0.00 0.00 3.02 -0.71 -4.87 115.26 113.81 2i6g n ASN 51 Ca 0.04 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 2i6g n ASN 51 Cb 0.32 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2i6g n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i6g n GLY 52 N -1.02 0.68 3.84 7.41 0.00 -1.14 -4.89 105.19 110.08 2i6g n GLY 52 Ca 0.36 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 2i6g n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i6g s TYR 53 N -2.55 3.63 -0.52 1.61 1.51 -0.67 -4.30 117.35 116.05 2i6g s TYR 53 Ca 0.00 1.09 -0.18 0.00 -1.01 0.00 0.00 57.07 56.96 2i6g s TYR 53 Cb 0.00 -2.39 0.07 0.00 -0.11 0.00 0.00 41.96 39.54 2i6g s TYR 53 CO 0.00 0.44 0.61 0.34 -1.11 0.00 0.00 175.55 175.83 2i6g s ASP 54 N -1.66 6.20 -0.10 2.29 2.15 -0.39 -4.18 116.67 120.99 2i6g s ASP 54 Ca 0.37 -1.13 -0.02 0.00 0.43 0.00 0.00 52.55 52.20 2i6g s ASP 54 Cb -0.15 -2.28 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2i6g s ASP 54 CO 0.19 -0.91 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.58 2i6g s VAL 55 N 2.47 4.21 -0.15 1.11 1.01 -0.28 -0.50 120.40 128.25 2i6g s VAL 55 Ca 0.12 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2i6g s VAL 55 Cb -0.22 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2i6g s VAL 55 CO 0.09 0.58 -0.17 -0.89 0.00 0.00 0.00 175.10 174.71 2i6g s THR 56 N -0.60 2.51 -0.17 3.92 2.01 0.38 -0.80 115.64 122.90 2i6g s THR 56 Ca 0.10 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2i6g s THR 56 Cb -0.12 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.36 2i6g s THR 56 CO 0.02 0.52 -0.19 0.00 -0.69 0.00 0.00 174.62 174.28 2i6g s ALA 57 N 0.83 2.23 -0.09 7.40 0.00 0.12 -0.82 121.76 131.44 2i6g s ALA 57 Ca -0.05 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.79 2i6g s ALA 57 Cb -0.15 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.85 2i6g s ALA 57 CO -0.01 -0.31 -0.17 -1.58 0.00 0.00 0.00 175.76 173.69 2i6g s TRP 58 N 1.26 1.94 0.00 0.00 0.51 -0.71 -2.20 118.94 119.75 2i6g s TRP 58 Ca 0.03 -0.80 0.00 0.00 -2.12 0.00 0.00 56.10 53.21 2i6g s TRP 58 Cb -0.13 -1.37 0.00 0.00 -0.81 0.00 0.00 33.47 31.16 2i6g s TRP 58 CO -0.11 -0.38 0.00 -3.47 -0.51 0.00 0.00 176.95 172.48 2i6g n ASP 59 N 3.82 2.92 -0.38 2.95 -0.08 -1.19 -0.01 116.55 124.58 2i6g n ASP 59 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 2i6g n ASP 59 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2i6g n ASP 59 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2i6g n ASN 61 N 0.00 0.00 -0.34 1.67 2.85 -1.26 -0.67 115.26 117.51 2i6g n ASN 61 Ca 0.00 0.21 -0.02 0.00 -0.11 0.00 0.00 54.58 54.65 2i6g n ASN 61 Cb 0.00 -0.31 0.10 0.00 1.24 0.00 0.00 39.78 40.82 2i6g n ASN 61 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2i6g h PRO 62 N 2.66 1.19 0.54 1.20 0.11 -2.02 -2.55 132.00 133.13 2i6g h PRO 62 Ca 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 2i6g h PRO 62 Cb 0.00 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 30.84 2i6g h PRO 62 CO 0.00 0.79 -0.30 0.00 -0.21 0.00 0.00 178.00 178.28 2i6g h ALA 63 N 1.35 -0.78 0.00 -0.75 0.00 -2.03 0.76 119.26 117.81 2i6g h ALA 63 Ca 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2i6g h ALA 63 Cb -0.10 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2i6g h ALA 63 CO -0.09 -0.95 0.00 0.43 0.00 0.00 0.00 179.25 178.64 2i6g n SER 64 N -5.44 0.00 0.00 0.00 7.64 -0.96 -1.05 113.62 113.81 2i6g n SER 64 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2i6g n SER 64 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2i6g n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i6g n ALA 66 N 0.64 0.00 -0.25 -0.43 0.00 0.26 -1.20 120.51 119.53 2i6g n ALA 66 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2i6g n ALA 66 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2i6g n ALA 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2i6g h ASN 67 N 0.00 0.90 -0.43 0.00 2.35 -1.33 -1.13 115.58 115.95 2i6g h ASN 67 Ca 0.00 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2i6g h ASN 67 Cb 0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 2i6g h ASN 67 CO 0.00 0.79 0.26 0.25 -1.65 0.00 0.00 177.43 177.08 2i6g h LEU 68 N 0.96 0.52 -1.45 1.61 5.85 -1.41 0.60 115.31 121.99 2i6g h LEU 68 Ca 0.24 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2i6g h LEU 68 Cb 0.13 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2i6g h LEU 68 CO -0.03 0.42 0.40 -0.33 -0.34 0.00 0.00 178.44 178.56 2i6g h GLU 69 N 0.57 0.70 -0.42 1.25 4.39 -1.79 -2.63 114.58 116.65 2i6g h GLU 69 Ca 0.16 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 2i6g h GLU 69 Cb -0.01 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 2i6g h GLU 69 CO -0.03 0.46 -0.09 -0.09 -1.16 0.00 0.00 179.01 178.10 2i6g h ARG 70 N 0.72 0.81 -1.54 2.33 2.43 -0.00 -2.02 114.38 117.11 2i6g h ARG 70 Ca 0.24 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2i6g h ARG 70 Cb 0.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2i6g h ARG 70 CO -0.07 0.93 0.00 -0.89 -1.51 0.00 0.00 179.97 178.43 2i6g n ILE 71 N -4.31 0.52 0.00 1.20 5.41 0.09 -1.85 119.36 120.41 2i6g n ILE 71 Ca -0.01 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2i6g n ILE 71 Cb 0.36 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 2i6g n ILE 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i6g n ALA 73 N 0.81 0.00 -0.15 -1.39 0.00 -0.76 -0.66 120.51 118.36 2i6g n ALA 73 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2i6g n ALA 73 Cb 0.25 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.01 2i6g n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i6g h ALA 74 N 0.00 1.58 -0.10 0.00 0.00 -1.64 -2.21 119.26 116.89 2i6g h ALA 74 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2i6g h ALA 74 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2i6g h ALA 74 CO 0.00 0.37 0.00 0.39 0.00 0.00 0.00 179.25 180.01 2i6g n GLU 75 N -4.45 1.76 -3.87 0.00 -0.58 0.17 -4.94 120.64 108.73 2i6g n GLU 75 Ca 0.07 -1.12 -0.29 0.00 -0.42 0.00 0.00 57.16 55.40 2i6g n GLU 75 Cb 0.08 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 29.54 2i6g n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2i6g n GLY 76 N 1.18 -0.51 3.33 0.62 0.00 -0.83 -4.88 105.19 104.10 2i6g n GLY 76 Ca 0.18 0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.96 2i6g n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i6g n LEU 77 N -4.74 5.54 0.08 0.99 4.77 -1.26 -4.78 117.00 117.60 2i6g n LEU 77 Ca 0.04 -4.49 0.16 0.00 -0.03 0.00 0.00 56.01 51.70 2i6g n LEU 77 Cb 0.53 -1.59 0.67 0.00 -2.33 0.00 0.00 43.42 40.70 2i6g n LEU 77 CO 0.74 0.86 1.15 -2.24 -1.33 0.00 0.00 177.39 176.57 2i6g h ASP 78 N 6.82 0.00 -0.42 -1.43 2.03 -1.97 -2.45 116.42 119.01 2i6g h ASP 78 Ca 0.34 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.56 2i6g h ASP 78 Cb 0.82 -0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.27 2i6g h ASP 78 CO 1.34 0.00 0.11 -0.46 -1.03 0.00 0.00 179.24 179.20 2i6g n ASN 79 N -4.43 3.79 -3.99 4.15 6.94 -1.26 -4.76 115.26 115.69 2i6g n ASN 79 Ca 0.06 -2.68 -0.30 0.00 -0.02 0.00 0.00 54.58 51.64 2i6g n ASN 79 Cb 0.44 -0.64 -0.16 0.00 -2.36 0.00 0.00 39.78 37.06 2i6g n ASN 79 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2i6g s LEU 80 N -1.77 1.94 -0.12 -4.53 2.96 -0.92 -1.13 118.68 115.10 2i6g s LEU 80 Ca 0.34 -0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2i6g s LEU 80 Cb 0.26 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 2i6g s LEU 80 CO 0.09 -0.11 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.35 2i6g s GLN 81 N 1.47 3.30 0.12 1.98 0.74 0.02 -5.01 119.66 122.27 2i6g s GLN 81 Ca 0.02 -0.59 0.10 0.00 0.05 0.00 0.00 55.36 54.95 2i6g s GLN 81 Cb -0.15 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 2i6g s GLN 81 CO -0.09 0.36 -0.26 0.95 -0.55 0.00 0.00 175.29 175.70 2i6g s THR 82 N 0.01 2.17 -0.10 -0.34 -4.23 -1.26 0.14 115.64 112.03 2i6g s THR 82 Ca -0.01 -1.70 -0.14 0.00 -1.18 0.00 0.00 61.69 58.66 2i6g s THR 82 Cb -0.14 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 71.81 2i6g s THR 82 CO 0.03 0.09 0.37 -1.81 -0.54 0.00 0.00 174.62 172.76 2i6g s ASP 83 N -1.97 -0.34 -0.33 3.99 1.01 -0.93 -4.95 116.67 113.15 2i6g s ASP 83 Ca 0.13 0.57 -0.25 0.00 0.71 0.00 0.00 52.55 53.71 2i6g s ASP 83 Cb -0.10 0.63 0.01 0.00 1.01 0.00 0.00 42.92 44.47 2i6g s ASP 83 CO 0.05 -0.23 0.86 -0.22 0.21 0.00 0.00 175.17 175.84 2i6g s LEU 84 N -0.27 4.06 -0.01 1.23 2.96 -1.26 -3.15 118.68 122.23 2i6g s LEU 84 Ca -0.04 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 2i6g s LEU 84 Cb -0.03 -3.18 0.01 0.00 0.50 0.00 0.00 46.19 43.49 2i6g s LEU 84 CO 0.02 -0.71 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.63 2i6g s VAL 85 N 3.17 0.18 -0.47 1.68 1.01 0.16 -4.95 120.40 121.18 2i6g s VAL 85 Ca 0.35 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 2i6g s VAL 85 Cb -0.13 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.09 2i6g s VAL 85 CO 0.14 0.08 0.53 -0.62 0.00 0.00 0.00 175.10 175.23 2i6g s ASP 86 N 0.30 6.21 0.64 3.32 -1.08 -1.26 -4.28 116.67 120.52 2i6g s ASP 86 Ca -0.03 -0.88 0.43 0.00 -0.52 0.00 0.00 52.55 51.55 2i6g s ASP 86 Cb -0.05 -2.25 2.26 0.00 -1.46 0.00 0.00 42.92 41.41 2i6g s ASP 86 CO -0.01 -0.74 2.30 -0.07 0.52 0.00 0.00 175.17 177.17 2i6g h LEU 87 N 9.33 0.00 -1.30 -1.34 3.38 -1.95 -2.07 115.31 121.36 2i6g h LEU 87 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2i6g h LEU 87 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2i6g h LEU 87 CO 0.89 0.00 0.00 0.78 0.09 0.00 0.00 178.44 180.20 2i6g h ASN 88 N 0.00 0.00 0.00 -0.43 2.35 -1.97 -3.27 115.58 112.25 2i6g h ASN 88 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2i6g h ASN 88 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2i6g h ASN 88 CO 0.00 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.13 2i6g n THR 89 N -3.04 0.00 -2.55 2.81 -2.24 -0.81 -4.92 114.28 103.52 2i6g n THR 89 Ca 0.01 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 2i6g n THR 89 Cb 0.32 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 2i6g n THR 89 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2i6g s LEU 90 N -0.01 4.46 -0.05 3.22 2.96 -0.99 -5.05 118.68 123.23 2i6g s LEU 90 Ca 0.00 1.99 0.02 0.00 -0.22 0.00 0.00 54.13 55.93 2i6g s LEU 90 Cb 0.00 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.11 2i6g s LEU 90 CO 0.00 -0.24 -0.10 0.42 -1.32 0.00 0.00 176.35 175.11 2i6g s THR 91 N 0.13 0.89 0.24 3.68 -4.23 -1.26 -4.92 115.64 110.17 2i6g s THR 91 Ca 0.51 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 2i6g s THR 91 Cb -0.28 -0.82 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 2i6g s THR 91 CO 0.32 0.29 -0.01 0.72 -0.54 0.00 0.00 174.62 175.40 2i6g s PHE 92 N 0.52 1.64 0.32 3.99 -0.71 -1.26 -5.17 117.98 117.31 2i6g s PHE 92 Ca -0.09 -0.88 0.03 0.00 -1.04 0.00 0.00 56.93 54.94 2i6g s PHE 92 Cb -0.13 -0.96 -0.04 0.00 -1.21 0.00 0.00 43.02 40.68 2i6g s PHE 92 CO 0.02 0.02 0.12 0.34 -1.34 0.00 0.00 175.22 174.38 2i6g s ASP 93 N -3.34 1.89 0.00 1.98 2.15 -1.26 -4.99 116.67 113.10 2i6g s ASP 93 Ca 0.29 -1.51 0.00 0.00 0.43 0.00 0.00 52.55 51.75 2i6g s ASP 93 Cb 0.05 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 2i6g s ASP 93 CO 0.09 -0.81 0.00 0.61 -0.17 0.00 0.00 175.17 174.89 2i6g n GLY 94 N -0.65 0.30 2.79 2.66 0.00 -1.26 -5.07 105.19 103.97 2i6g n GLY 94 Ca -0.01 -2.28 -0.15 0.00 0.00 0.00 0.00 46.02 43.57 2i6g n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i6g s GLU 95 N -0.19 -0.02 0.10 1.61 2.12 -1.26 -4.55 118.70 116.52 2i6g s GLU 95 Ca 0.00 0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.67 2i6g s GLU 95 Cb 0.00 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.09 2i6g s GLU 95 CO 0.00 -0.19 -0.20 0.71 -0.54 0.00 0.00 175.26 175.04 2i6g s TYR 96 N 1.25 1.72 -0.01 5.30 2.02 0.69 -4.98 117.35 123.33 2i6g s TYR 96 Ca -0.07 -0.43 0.11 0.00 -0.37 0.00 0.00 57.07 56.31 2i6g s TYR 96 Cb -0.13 -0.94 -0.09 0.00 -0.40 0.00 0.00 41.96 40.41 2i6g s TYR 96 CO -0.04 0.19 1.33 -0.44 -1.57 0.00 0.00 175.55 175.03 2i6g h ASP 97 N 4.05 0.00 -2.82 2.29 3.32 -0.91 -3.40 116.42 118.95 2i6g h ASP 97 Ca -0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 2i6g h ASP 97 Cb 1.18 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.47 2i6g h ASP 97 CO 0.40 0.77 -0.31 0.12 -1.72 0.00 0.00 179.24 178.51 2i6g s PHE 98 N -2.82 -0.76 -0.05 4.55 5.36 -0.71 -1.21 117.98 122.34 2i6g s PHE 98 Ca 0.02 1.50 0.06 0.00 -0.96 0.00 0.00 56.93 57.55 2i6g s PHE 98 Cb 0.09 0.33 -0.01 0.00 -0.34 0.00 0.00 43.02 43.09 2i6g s PHE 98 CO 0.79 -0.44 -0.24 0.42 -1.46 0.00 0.00 175.22 174.29 2i6g s ILE 99 N 2.06 1.96 0.04 3.12 1.01 -0.52 -0.78 121.20 128.10 2i6g s ILE 99 Ca -0.06 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.61 2i6g s ILE 99 Cb -0.10 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2i6g s ILE 99 CO -0.13 0.55 -0.11 -1.48 0.00 0.00 0.00 174.94 173.77 2i6g s LEU 100 N -0.22 2.19 -0.25 2.97 2.34 -0.04 -1.21 118.68 124.47 2i6g s LEU 100 Ca -0.01 -0.45 -0.03 0.00 0.06 0.00 0.00 54.13 53.70 2i6g s LEU 100 Cb -0.13 -0.40 0.11 0.00 -0.56 0.00 0.00 46.19 45.21 2i6g s LEU 100 CO 0.03 -0.05 0.23 -0.55 -1.06 0.00 0.00 176.35 174.94 2i6g s SER 101 N -1.20 1.85 -0.12 1.48 0.15 -0.35 -0.42 113.70 115.09 2i6g s SER 101 Ca -0.03 -0.59 0.02 0.00 0.70 0.00 0.00 55.95 56.06 2i6g s SER 101 Cb -0.08 0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2i6g s SER 101 CO 0.01 -0.37 -0.20 0.42 1.20 0.00 0.00 173.24 174.30 2i6g s THR 102 N 2.30 2.39 -1.71 6.45 -4.23 -1.26 -2.04 115.64 117.54 2i6g s THR 102 Ca 0.08 -0.89 -0.18 0.00 -1.18 0.00 0.00 61.69 59.52 2i6g s THR 102 Cb -0.15 -1.96 0.16 0.00 1.34 0.00 0.00 72.50 71.89 2i6g s THR 102 CO -0.23 0.54 0.74 1.33 -0.54 0.00 0.00 174.62 176.46 2i6g n VAL 103 N 3.65 -1.02 -3.89 2.29 0.24 0.10 -4.96 118.33 114.75 2i6g n VAL 103 Ca -0.19 -0.04 -0.30 0.00 -2.04 0.00 0.00 64.34 61.77 2i6g n VAL 103 Cb 0.53 -1.60 -0.15 0.00 -1.47 0.00 0.00 33.84 31.15 2i6g n VAL 103 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2i6g s VAL 104 N -3.33 1.55 0.00 3.34 0.11 -1.26 -5.05 120.40 115.76 2i6g s VAL 104 Ca 0.71 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 2i6g s VAL 104 Cb -0.39 -2.06 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 2i6g s VAL 104 CO 0.94 -0.49 0.00 0.49 -3.33 0.00 0.00 175.10 172.71 2i6g n PHE 107 N 4.59 0.00 -3.37 1.54 3.72 -1.26 -5.07 117.46 117.61 2i6g n PHE 107 Ca -0.03 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.14 2i6g n PHE 107 Cb 0.43 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 2i6g n PHE 107 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2i6g s LEU 108 N 0.00 3.97 0.36 4.37 1.43 -1.26 -4.82 118.68 122.73 2i6g s LEU 108 Ca 0.00 0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.17 2i6g s LEU 108 Cb 0.00 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.93 2i6g s LEU 108 CO 0.00 -0.36 1.22 -1.61 0.23 0.00 0.00 176.35 175.83 2i6g s GLU 109 N -4.32 4.23 0.37 1.70 0.41 -1.26 -3.49 118.70 116.33 2i6g s GLU 109 Ca 0.41 1.99 0.09 0.00 -0.41 0.00 0.00 54.97 57.05 2i6g s GLU 109 Cb -0.10 -2.89 0.83 0.00 -1.78 0.00 0.00 34.13 30.20 2i6g s GLU 109 CO 0.35 -0.22 1.91 0.00 -0.49 0.00 0.00 175.26 176.81 2i6g h ALA 110 N 3.05 1.83 0.00 5.21 0.00 -1.98 -0.60 119.26 126.78 2i6g h ALA 110 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2i6g h ALA 110 Cb 1.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2i6g h ALA 110 CO 0.64 -0.03 0.00 -0.56 0.00 0.00 0.00 179.25 179.31 2i6g h GLN 111 N 0.67 0.00 -0.21 0.00 -0.00 -1.92 -2.93 115.11 110.72 2i6g h GLN 111 Ca 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.91 2i6g h GLN 111 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.05 2i6g h GLN 111 CO -0.16 0.00 -0.41 1.15 -0.00 0.00 0.00 178.83 179.41 2i6g h THR 112 N 0.00 1.30 0.15 1.86 2.02 -1.45 -3.38 112.91 113.41 2i6g h THR 112 Ca 0.00 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 2i6g h THR 112 Cb 0.37 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2i6g h THR 112 CO 0.00 0.49 -0.07 0.40 0.37 0.00 0.00 175.52 176.71 2i6g h ILE 113 N 0.41 0.91 -0.43 3.11 1.08 -1.61 -1.61 117.51 119.38 2i6g h ILE 113 Ca 0.03 -0.24 0.09 0.00 -0.39 0.00 0.00 64.86 64.35 2i6g h ILE 113 Cb 0.90 1.06 -0.08 0.00 -3.07 0.00 0.00 36.82 35.63 2i6g h ILE 113 CO 0.08 0.06 -0.10 -0.65 -0.69 0.00 0.00 178.15 176.84 2i6g h PRO 114 N -0.32 0.01 -0.43 2.37 0.11 -1.77 -1.33 132.00 130.64 2i6g h PRO 114 Ca -0.02 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 2i6g h PRO 114 Cb 0.25 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 2i6g h PRO 114 CO 0.03 0.00 -0.18 0.78 -0.21 0.00 0.00 178.00 178.42 2i6g h GLY 115 N 0.01 0.90 0.93 -0.55 0.00 -1.76 -1.74 103.07 100.85 2i6g h GLY 115 Ca 0.21 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2i6g h GLY 115 CO -0.44 0.68 0.13 -2.00 0.00 0.00 0.00 176.54 174.91 2i6g h LEU 116 N 0.73 0.39 -0.67 3.11 5.85 -0.87 -0.30 115.31 123.56 2i6g h LEU 116 Ca 0.11 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2i6g h LEU 116 Cb 0.70 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2i6g h LEU 116 CO 0.05 0.43 0.25 0.40 -0.34 0.00 0.00 178.44 179.23 2i6g h ILE 117 N 0.33 1.24 -0.88 4.05 2.04 -1.23 -2.50 117.51 120.56 2i6g h ILE 117 Ca 0.10 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.22 2i6g h ILE 117 Cb 0.15 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2i6g h ILE 117 CO -0.01 0.31 0.56 0.00 0.00 0.00 0.00 178.15 179.01 2i6g h ALA 118 N 1.11 1.19 0.00 1.87 0.00 -1.04 -0.90 119.26 121.48 2i6g h ALA 118 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2i6g h ALA 118 Cb 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2i6g h ALA 118 CO -0.01 0.37 0.00 -1.71 0.00 0.00 0.00 179.25 177.90 2i6g n ASN 119 N -4.56 0.75 0.00 0.00 4.05 -0.14 -1.68 115.26 113.68 2i6g n ASN 119 Ca 0.12 -0.61 0.00 0.00 0.45 0.00 0.00 54.58 54.54 2i6g n ASN 119 Cb 0.13 -0.15 0.00 0.00 1.23 0.00 0.00 39.78 40.99 2i6g n ASN 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2i6g n GLN 121 N 0.72 0.00 0.24 1.20 6.02 -0.35 -2.20 117.38 123.01 2i6g n GLN 121 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2i6g n GLN 121 Cb 0.13 0.00 0.54 0.00 1.02 0.00 0.00 30.24 31.93 2i6g n GLN 121 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2i6g h ARG 122 N 0.00 0.00 -0.61 -1.09 0.11 -1.59 -2.73 114.38 108.47 2i6g h ARG 122 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2i6g h ARG 122 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2i6g h ARG 122 CO 0.00 0.13 0.00 0.00 0.10 0.00 0.00 179.97 180.20 2i6g n THR 124 N 0.93 0.00 -3.41 0.00 -1.04 -1.03 -0.22 114.28 109.51 2i6g n THR 124 Ca 0.20 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.83 2i6g n THR 124 Cb 0.64 -0.81 -0.06 0.00 -1.82 0.00 0.00 70.33 68.28 2i6g n THR 124 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2i6g s PRO 126 N 2.82 4.17 0.00 -2.82 0.04 -1.26 -4.87 135.00 133.08 2i6g s PRO 126 Ca 0.00 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2i6g s PRO 126 Cb 0.00 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2i6g s PRO 126 CO 0.00 0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.83 2i6g n GLY 127 N 2.68 0.85 3.92 0.56 0.00 -1.16 -4.88 105.19 107.16 2i6g n GLY 127 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2i6g n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i6g s GLY 128 N -2.00 1.69 0.06 -0.02 0.00 -1.26 -4.99 107.32 100.80 2i6g s GLY 128 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 44.72 43.86 2i6g s GLY 128 CO 0.00 -0.33 -0.21 -0.19 0.00 0.00 0.00 173.10 172.37 2i6g s TYR 129 N -3.69 1.86 -0.07 1.90 1.51 -0.35 -4.36 117.35 114.15 2i6g s TYR 129 Ca 0.67 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 56.40 2i6g s TYR 129 Cb -0.08 -1.08 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 2i6g s TYR 129 CO 0.50 0.13 -0.24 -0.80 -1.11 0.00 0.00 175.55 174.04 2i6g s ASN 130 N -1.41 3.02 -0.17 2.29 0.02 -0.46 -1.43 114.94 116.80 2i6g s ASN 130 Ca 0.08 -0.51 -0.00 0.00 -1.02 0.00 0.00 52.86 51.40 2i6g s ASN 130 Cb -0.09 -0.97 0.00 0.00 0.02 0.00 0.00 41.25 40.21 2i6g s ASN 130 CO 0.03 0.22 -0.14 -0.22 0.02 0.00 0.00 177.10 177.01 2i6g s LEU 131 N -0.03 2.50 -0.04 0.60 2.96 -0.35 -1.39 118.68 122.93 2i6g s LEU 131 Ca -0.07 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2i6g s LEU 131 Cb -0.15 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 2i6g s LEU 131 CO 0.05 0.05 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.35 2i6g s ILE 132 N 1.03 1.27 -0.10 6.68 1.01 -1.26 -1.21 121.20 128.62 2i6g s ILE 132 Ca -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2i6g s ILE 132 Cb -0.15 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.25 2i6g s ILE 132 CO -0.03 0.37 -0.05 -0.69 0.00 0.00 0.00 174.94 174.54 2i6g s VAL 133 N 0.11 0.82 -0.07 2.92 1.01 -0.87 -4.12 120.40 120.21 2i6g s VAL 133 Ca -0.04 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 2i6g s VAL 133 Cb -0.11 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.42 2i6g s VAL 133 CO 0.02 0.32 0.40 0.00 0.00 0.00 0.00 175.10 175.85 2i6g s ALA 134 N 1.79 -1.02 1.14 5.51 0.00 -0.41 0.01 121.76 128.79 2i6g s ALA 134 Ca 0.05 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 2i6g s ALA 134 Cb -0.13 -0.18 0.13 0.00 0.00 0.00 0.00 23.12 22.94 2i6g s ALA 134 CO -0.07 -0.26 0.39 0.00 0.00 0.00 0.00 175.76 175.82 2i6g n ALA 135 N 1.72 -1.64 -3.27 0.00 0.00 -1.26 0.41 120.51 116.47 2i6g n ALA 135 Ca -0.19 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 52.60 2i6g n ALA 135 Cb 0.56 -0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 2i6g n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2i6g s ASP 137 N -2.55 -0.43 0.20 0.00 2.15 0.22 -1.64 116.67 114.61 2i6g s ASP 137 Ca 0.27 0.49 0.06 0.00 0.43 0.00 0.00 52.55 53.80 2i6g s ASP 137 Cb -0.04 1.55 -0.05 0.00 -0.30 0.00 0.00 42.92 44.09 2i6g s ASP 137 CO 0.21 -0.28 -0.09 0.42 -0.17 0.00 0.00 175.17 175.26 2i6g s THR 138 N 2.68 1.40 0.26 1.71 -4.23 -1.15 -4.48 115.64 111.82 2i6g s THR 138 Ca 0.16 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2i6g s THR 138 Cb -0.15 -2.10 0.26 0.00 1.34 0.00 0.00 72.50 71.85 2i6g s THR 138 CO -0.18 -0.55 1.92 -0.65 -0.54 0.00 0.00 174.62 174.62 2i6g h PRO 139 N 2.57 1.25 0.00 3.99 0.11 -2.01 -1.40 132.00 136.51 2i6g h PRO 139 Ca -0.38 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 2i6g h PRO 139 Cb 1.21 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2i6g h PRO 139 CO 0.64 0.83 -0.74 0.38 -0.21 0.00 0.00 178.00 178.89 2i6g h ASP 140 N 1.29 0.00 -2.21 -2.05 2.03 -2.07 -3.39 116.42 110.02 2i6g h ASP 140 Ca 0.38 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 56.11 2i6g h ASP 140 Cb -0.06 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 38.05 2i6g h ASP 140 CO -0.11 0.74 -0.98 0.49 -1.03 0.00 0.00 179.24 178.36 2i6g n PHE 141 N -3.40 0.06 -1.84 4.15 3.72 -1.04 -5.11 117.46 114.00 2i6g n PHE 141 Ca 0.00 -3.58 -0.41 0.00 -0.05 0.00 0.00 57.45 53.42 2i6g n PHE 141 Cb 0.79 -0.18 -0.00 0.00 -0.94 0.00 0.00 39.48 39.15 2i6g n PHE 141 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2i6g s PRO 142 N -0.90 4.06 -0.76 -1.08 0.02 -0.55 -2.95 135.00 132.84 2i6g s PRO 142 Ca 0.34 2.50 -0.15 0.00 0.02 0.00 0.00 61.00 63.71 2i6g s PRO 142 Cb 0.11 -2.92 0.19 0.00 0.02 0.00 0.00 34.50 31.90 2i6g s PRO 142 CO -0.14 -0.54 0.72 0.00 -0.33 0.00 0.00 177.00 176.71 2i6g n THR 144 N 4.38 2.38 0.15 0.00 -2.24 -1.26 -4.68 114.28 113.01 2i6g n THR 144 Ca 0.07 -2.95 0.09 0.00 -2.27 0.00 0.00 64.05 58.99 2i6g n THR 144 Cb 0.45 -0.28 0.06 0.00 -2.10 0.00 0.00 70.33 68.46 2i6g n THR 144 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2i6g h VAL 145 N 0.99 0.19 0.00 2.28 2.07 -2.03 -3.47 116.25 116.27 2i6g h VAL 145 Ca 0.11 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2i6g h VAL 145 Cb 1.35 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2i6g h VAL 145 CO 0.20 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.51 2i6g n GLY 146 N 1.18 1.42 3.75 2.17 0.00 -1.26 -5.10 105.19 107.35 2i6g n GLY 146 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2i6g n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i6g s PHE 147 N -2.00 3.55 0.47 1.61 0.08 -1.26 -4.93 117.98 115.51 2i6g s PHE 147 Ca 0.00 1.62 0.40 0.00 0.12 0.00 0.00 56.93 59.07 2i6g s PHE 147 Cb 0.00 -3.31 2.03 0.00 -0.57 0.00 0.00 43.02 41.17 2i6g s PHE 147 CO 0.00 -0.69 2.23 -1.00 -0.10 0.00 0.00 175.22 175.66 2i6g h PRO 148 N 4.42 0.00 -3.40 0.24 0.13 -1.88 -3.44 132.00 128.07 2i6g h PRO 148 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 2i6g h PRO 148 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 2i6g h PRO 148 CO 0.70 0.01 -0.49 0.12 -0.23 0.00 0.00 178.00 178.11 2i6g s PHE 149 N -4.02 -0.07 -0.17 1.56 5.36 -1.23 -3.77 117.98 115.65 2i6g s PHE 149 Ca -0.03 0.14 -0.24 0.00 -0.96 0.00 0.00 56.93 55.84 2i6g s PHE 149 Cb 0.12 0.01 0.06 0.00 -0.34 0.00 0.00 43.02 42.86 2i6g s PHE 149 CO 0.47 -0.21 0.62 0.00 -1.46 0.00 0.00 175.22 174.64 2i6g s ALA 150 N -0.78 -1.57 1.00 11.12 0.00 -1.26 -4.69 121.76 125.58 2i6g s ALA 150 Ca -0.09 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2i6g s ALA 150 Cb -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.38 2i6g s ALA 150 CO 0.01 -0.32 0.00 1.19 0.00 0.00 0.00 175.76 176.65 2i6g n PHE 151 N 2.15 -0.28 -3.10 0.00 3.72 -0.65 -4.58 117.46 114.72 2i6g n PHE 151 Ca -0.16 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.85 2i6g n PHE 151 Cb 0.56 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.05 2i6g n PHE 151 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2i6g s GLU 153 N 0.00 4.39 0.00 -1.08 2.02 -1.26 -0.61 118.70 122.15 2i6g s GLU 153 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 54.97 55.76 2i6g s GLU 153 Cb 0.00 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.77 2i6g s GLU 153 CO 0.00 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2i6g n GLY 154 N 3.23 2.00 0.16 -1.39 0.00 -1.26 -4.89 105.19 103.04 2i6g n GLY 154 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2i6g n GLY 154 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2i6g h GLU 155 N 1.65 0.47 -0.47 1.61 4.81 -1.99 -1.26 114.58 119.40 2i6g h GLU 155 Ca 0.00 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2i6g h GLU 155 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2i6g h GLU 155 CO 0.00 0.57 0.28 1.25 -0.73 0.00 0.00 179.01 180.38 2i6g h LEU 156 N 0.29 0.56 -0.79 1.64 5.85 -1.97 -1.81 115.31 119.09 2i6g h LEU 156 Ca 0.09 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2i6g h LEU 156 Cb 0.33 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2i6g h LEU 156 CO 0.00 0.46 0.51 -0.09 -0.34 0.00 0.00 178.44 178.98 2i6g h ARG 157 N 0.62 0.98 -0.39 1.25 9.65 -1.91 -2.15 114.38 122.43 2i6g h ARG 157 Ca 0.17 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 2i6g h ARG 157 Cb -0.00 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.34 2i6g h ARG 157 CO -0.03 0.65 0.16 0.00 2.80 0.00 0.00 179.97 183.55 2i6g h ARG 158 N 1.01 0.55 -0.21 0.20 3.08 -0.64 -1.46 114.38 116.92 2i6g h ARG 158 Ca 0.30 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 2i6g h ARG 158 Cb -0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2i6g h ARG 158 CO -0.09 0.46 -0.01 1.88 -1.07 0.00 0.00 179.97 181.14 2i6g h TYR 159 N 0.56 0.31 -0.89 3.04 0.05 -0.67 -3.03 116.97 116.33 2i6g h TYR 159 Ca 0.14 -0.02 -0.51 0.00 0.05 0.00 0.00 58.73 58.39 2i6g h TYR 159 Cb 0.11 -0.10 -0.28 0.00 1.01 0.00 0.00 36.73 37.47 2i6g h TYR 159 CO 0.01 0.34 0.55 0.66 -1.05 0.00 0.00 178.16 178.66 2i6g n TYR 160 N -4.35 2.81 -1.72 4.88 4.02 -0.56 -4.97 117.16 117.27 2i6g n TYR 160 Ca 0.00 -2.14 -0.43 0.00 -0.01 0.00 0.00 57.90 55.33 2i6g n TYR 160 Cb 0.20 -0.99 -0.03 0.00 -0.02 0.00 0.00 39.34 38.50 2i6g n TYR 160 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2i6g n GLU 161 N -1.07 2.60 0.00 -0.72 4.07 -1.15 -1.88 120.64 122.49 2i6g n GLU 161 Ca 0.56 0.93 0.00 0.00 -0.06 0.00 0.00 57.16 58.59 2i6g n GLU 161 Cb 1.30 -2.73 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 2i6g n GLU 161 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2i6g n GLY 162 N 3.09 1.85 3.93 8.31 0.00 -1.26 -5.06 105.19 116.06 2i6g n GLY 162 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 2i6g n GLY 162 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2i6g s TRP 163 N -2.42 3.49 0.00 1.61 0.52 -0.79 -4.52 118.94 116.84 2i6g s TRP 163 Ca 0.00 0.38 0.00 0.00 0.02 0.00 0.00 56.10 56.50 2i6g s TRP 163 Cb 0.00 -1.90 0.00 0.00 -1.15 0.00 0.00 33.47 30.42 2i6g s TRP 163 CO 0.00 0.22 0.00 -0.25 0.02 0.00 0.00 176.95 176.94 2i6g n ASP 164 N -1.32 0.00 0.00 2.95 8.00 -0.18 -4.89 116.55 121.11 2i6g n ASP 164 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2i6g n ASP 164 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 2i6g n ASP 164 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2i6g n LEU 166 N 0.00 0.00 0.00 0.64 4.77 -0.56 -1.32 117.00 120.53 2i6g n LEU 166 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2i6g n LEU 166 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2i6g n LEU 166 CO 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 2i6g n TYR 168 N 0.00 0.00 -3.81 -1.77 9.36 -1.26 -4.97 117.16 114.72 2i6g n TYR 168 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 2i6g n TYR 168 Cb 0.18 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.76 2i6g n TYR 168 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2i6g s ASN 169 N 0.00 -0.15 -0.36 2.98 3.84 0.60 -5.00 114.94 116.84 2i6g s ASN 169 Ca 0.00 0.30 0.13 0.00 0.21 0.00 0.00 52.86 53.50 2i6g s ASN 169 Cb 0.00 0.29 0.45 0.00 -0.55 0.00 0.00 41.25 41.44 2i6g s ASN 169 CO 0.00 -0.06 1.04 -0.62 -2.79 0.00 0.00 177.10 174.66 2i6g n GLU 170 N 3.16 2.19 -1.82 0.43 1.02 -1.26 -0.11 120.64 124.25 2i6g n GLU 170 Ca -0.14 -3.79 -0.31 0.00 -0.02 0.00 0.00 57.16 52.89 2i6g n GLU 170 Cb 0.58 -1.71 0.02 0.00 -0.02 0.00 0.00 31.44 30.31 2i6g n GLU 170 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2i6g s ASP 171 N -3.36 5.83 0.27 1.62 1.01 -1.22 -4.63 116.67 116.19 2i6g s ASP 171 Ca 0.36 1.58 -0.29 0.00 0.71 0.00 0.00 52.55 54.91 2i6g s ASP 171 Cb 0.42 -2.49 -0.10 0.00 1.01 0.00 0.00 42.92 41.76 2i6g s ASP 171 CO -0.05 -1.14 1.28 -0.69 0.21 0.00 0.00 175.17 174.79 2i6g s VAL 172 N -2.95 3.02 0.00 -1.27 1.01 -1.26 -1.93 120.40 117.02 2i6g s VAL 172 Ca 0.58 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2i6g s VAL 172 Cb -0.13 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2i6g s VAL 172 CO 0.49 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2i6g n GLY 173 N 1.54 5.51 3.32 4.51 0.00 0.34 -4.90 105.19 115.51 2i6g n GLY 173 Ca 0.03 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 2i6g n GLY 173 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2i6g s GLU 174 N 1.71 0.58 0.77 1.61 -1.05 -1.26 -2.29 118.70 118.78 2i6g s GLU 174 Ca 0.00 0.40 -0.09 0.00 -0.15 0.00 0.00 54.97 55.13 2i6g s GLU 174 Cb 0.00 0.27 0.09 0.00 -0.44 0.00 0.00 34.13 34.06 2i6g s GLU 174 CO 0.00 -0.11 1.10 -0.51 0.95 0.00 0.00 175.26 176.70 2i6g s LEU 175 N -0.22 2.73 0.10 1.83 1.43 0.09 -4.93 118.68 119.70 2i6g s LEU 175 Ca -0.04 0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.42 2i6g s LEU 175 Cb -0.03 -2.96 -0.18 0.00 0.03 0.00 0.00 46.19 43.06 2i6g s LEU 175 CO 0.02 -1.87 1.24 0.45 0.23 0.00 0.00 176.35 176.42 2i6g h HIS 176 N -0.87 0.88 -4.07 0.29 3.86 -1.97 -3.39 115.15 109.87 2i6g h HIS 176 Ca -0.44 -0.48 -0.53 0.00 -1.16 0.00 0.00 60.37 57.77 2i6g h HIS 176 Cb 1.30 -0.10 0.10 0.00 1.06 0.00 0.00 27.41 29.78 2i6g h HIS 176 CO 0.07 1.31 0.49 1.03 0.86 0.00 0.00 177.93 181.69 2i6g s ARG 177 N -3.31 3.17 0.26 2.45 0.52 -1.26 -4.82 118.95 115.97 2i6g s ARG 177 Ca -0.08 1.86 0.09 0.00 -0.52 0.00 0.00 55.73 57.08 2i6g s ARG 177 Cb 0.08 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 2i6g s ARG 177 CO 0.90 -1.06 0.04 0.95 0.02 0.00 0.00 175.30 176.15 2i6g s THR 178 N -1.56 3.67 0.12 0.02 -4.23 -1.26 -1.00 115.64 111.41 2i6g s THR 178 Ca 0.74 -1.79 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 2i6g s THR 178 Cb -0.31 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.59 2i6g s THR 178 CO 0.35 -0.36 0.17 -0.90 -0.54 0.00 0.00 174.62 173.33 2i6g n ASP 179 N -0.94 0.07 -0.06 3.99 5.68 -0.02 -4.80 116.55 120.47 2i6g n ASP 179 Ca -0.07 -1.09 0.21 0.00 -0.50 0.00 0.00 54.79 53.33 2i6g n ASP 179 Cb 0.59 -0.12 0.66 0.00 -1.14 0.00 0.00 41.12 41.10 2i6g n ASP 179 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2i6g h GLU 180 N 0.00 0.08 -0.51 0.11 3.07 -2.01 -1.63 114.58 113.68 2i6g h GLU 180 Ca -0.05 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2i6g h GLU 180 Cb 0.16 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 2i6g h GLU 180 CO 0.04 0.05 0.00 0.09 -1.40 0.00 0.00 179.01 177.79 2i6g n ASN 181 N -4.38 2.91 -0.45 1.42 4.13 -1.26 -4.93 115.26 112.70 2i6g n ASN 181 Ca 0.12 -1.98 -0.06 0.00 1.68 0.00 0.00 54.58 54.34 2i6g n ASN 181 Cb 0.65 -0.34 -0.03 0.00 -1.54 0.00 0.00 39.78 38.52 2i6g n ASN 181 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2i6g n GLY 182 N 1.37 0.84 3.71 7.41 0.00 -0.61 -5.02 105.19 112.89 2i6g n GLY 182 Ca 0.18 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 2i6g n GLY 182 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i6g s ASN 183 N -2.92 6.15 0.10 1.61 0.01 -1.26 -4.80 114.94 113.83 2i6g s ASN 183 Ca 0.00 0.20 -0.34 0.00 -0.71 0.00 0.00 52.86 52.01 2i6g s ASN 183 Cb 0.00 -2.08 -0.14 0.00 0.41 0.00 0.00 41.25 39.44 2i6g s ASN 183 CO 0.00 0.16 1.63 -2.11 -1.51 0.00 0.00 177.10 175.27 2i6g n ARG 184 N 3.67 2.09 0.00 -0.60 0.00 -1.26 -0.84 116.66 119.72 2i6g n ARG 184 Ca -0.16 0.76 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 2i6g n ARG 184 Cb 0.52 -2.53 0.00 0.00 -0.00 0.00 0.00 32.46 30.45 2i6g n ARG 184 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2i6g n ILE 185 N 3.74 0.00 0.00 8.89 5.41 -0.17 -4.80 119.36 132.44 2i6g n ILE 185 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2i6g n ILE 185 Cb 0.28 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.21 2i6g n ILE 185 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2i6g n LEU 187 N 0.00 0.00 -4.83 1.39 4.77 -0.97 -0.73 117.00 116.63 2i6g n LEU 187 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2i6g n LEU 187 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2i6g n LEU 187 CO 0.00 0.00 0.38 -0.13 -1.33 0.00 0.00 177.39 176.31 2i6g s ARG 188 N -2.00 4.14 0.01 3.23 0.52 -1.26 0.13 118.95 123.72 2i6g s ARG 188 Ca 0.00 0.74 0.07 0.00 -0.52 0.00 0.00 55.73 56.02 2i6g s ARG 188 Cb 0.00 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 2i6g s ARG 188 CO 0.00 0.37 -0.22 -0.06 0.02 0.00 0.00 175.30 175.40 2i6g s PHE 189 N -1.60 1.98 -0.29 -0.53 0.40 -0.81 -4.59 117.98 112.54 2i6g s PHE 189 Ca 0.44 -0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 56.20 2i6g s PHE 189 Cb -0.15 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 2i6g s PHE 189 CO 0.20 0.04 0.59 0.00 0.70 0.00 0.00 175.22 176.75 2i6g s ALA 190 N -0.66 3.56 0.29 5.36 0.00 0.17 -3.43 121.76 127.06 2i6g s ALA 190 Ca 0.09 -0.61 0.10 0.00 0.00 0.00 0.00 51.96 51.53 2i6g s ALA 190 Cb -0.09 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 2i6g s ALA 190 CO 0.01 -0.93 -0.04 0.99 0.00 0.00 0.00 175.76 175.79 2i6g s THR 191 N 2.49 2.97 -0.30 0.00 2.01 0.84 -1.29 115.64 122.37 2i6g s THR 191 Ca 0.24 -2.03 -0.10 0.00 0.31 0.00 0.00 61.69 60.11 2i6g s THR 191 Cb -0.15 -2.72 0.18 0.00 0.01 0.00 0.00 72.50 69.82 2i6g s THR 191 CO 0.10 -0.32 0.88 -0.22 -0.69 0.00 0.00 174.62 174.38 2i6g s LEU 193 N -3.66 -0.80 0.03 4.42 2.96 -1.26 -0.29 118.68 120.08 2i6g s LEU 193 Ca 0.32 0.63 0.09 0.00 -0.22 0.00 0.00 54.13 54.96 2i6g s LEU 193 Cb -0.04 1.72 -0.03 0.00 0.50 0.00 0.00 46.19 48.34 2i6g s LEU 193 CO 0.19 -0.15 -0.26 0.00 -1.32 0.00 0.00 176.35 174.81 2i6g s ALA 194 N 2.82 2.21 0.00 5.97 0.00 -0.49 -1.49 121.76 130.78 2i6g s ALA 194 Ca 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2i6g s ALA 194 Cb -0.11 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2i6g s ALA 194 CO -0.16 0.53 0.00 -2.13 0.00 0.00 0.00 175.76 174.00 2i6g n ARG 195 N 1.93 3.69 -4.23 0.00 0.63 -0.44 -1.35 116.66 116.89 2i6g n ARG 195 Ca -0.17 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.50 2i6g n ARG 195 Cb 0.52 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.35 2i6g n ARG 195 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2i6g s THR 197 N 1.33 3.59 0.00 5.15 -4.23 -1.26 -1.01 115.64 119.21 2i6g s THR 197 Ca 0.00 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2i6g s THR 197 Cb 0.00 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.04 2i6g s THR 197 CO 0.00 -0.11 0.35 0.00 -0.54 0.00 0.00 174.62 174.33