#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihg s ASN 2 N 0.00 6.99 0.32 3.17 -0.87 -1.26 -5.00 114.94 118.29 3ihg s ASN 2 Ca 0.00 2.40 -0.29 0.00 -1.57 0.00 0.00 52.86 53.40 3ihg s ASN 2 Cb 0.00 -2.62 -0.11 0.00 -0.02 0.00 0.00 41.25 38.50 3ihg s ASN 2 CO 0.00 -0.41 1.51 -0.62 -2.57 0.00 0.00 177.10 175.01 3ihg s ASP 3 N -0.16 6.44 0.63 -1.22 2.15 -1.26 -4.97 116.67 118.27 3ihg s ASP 3 Ca 0.51 2.92 -0.17 0.00 0.43 0.00 0.00 52.55 56.24 3ihg s ASP 3 Cb -0.35 -2.65 -0.06 0.00 -0.30 0.00 0.00 42.92 39.56 3ihg s ASP 3 CO 0.42 -0.84 0.63 1.41 -0.17 0.00 0.00 175.17 176.62 3ihg n HIS 4 N 1.47 -0.38 0.06 -5.34 8.25 -1.26 -4.89 115.22 113.14 3ihg n HIS 4 Ca 0.05 0.41 0.01 0.00 -0.26 0.00 0.00 57.72 57.93 3ihg n HIS 4 Cb 0.39 -1.98 -0.05 0.00 1.12 0.00 0.00 29.99 29.46 3ihg n HIS 4 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3ihg h GLU 5 N 0.09 0.00 -3.38 -0.41 5.08 -1.74 -3.46 114.58 110.76 3ihg h GLU 5 Ca -0.46 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.76 3ihg h GLU 5 Cb 1.38 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.42 3ihg h GLU 5 CO 0.46 0.35 -0.43 0.54 -1.00 0.00 0.00 179.01 178.93 3ihg s VAL 6 N -2.94 0.08 -0.04 3.13 0.11 -1.01 -5.05 120.40 114.67 3ihg s VAL 6 Ca -0.01 -0.63 -0.16 0.00 -2.93 0.00 0.00 61.98 58.25 3ihg s VAL 6 Cb 0.08 -0.48 -0.32 0.00 -1.53 0.00 0.00 36.38 34.14 3ihg s VAL 6 CO 0.79 -0.34 0.79 0.44 -3.33 0.00 0.00 175.10 173.45 3ihg h ASP 7 N 4.17 0.60 -3.55 3.54 3.32 -1.06 -2.62 116.42 120.83 3ihg h ASP 7 Ca -0.30 -0.92 -0.47 0.00 0.02 0.00 0.00 57.03 55.36 3ihg h ASP 7 Cb 1.19 -0.19 -0.33 0.00 0.22 0.00 0.00 39.33 40.22 3ihg h ASP 7 CO 0.40 1.64 -0.80 -0.69 -1.72 0.00 0.00 179.24 178.08 3ihg s VAL 8 N -2.53 0.90 -0.23 -1.35 1.01 -0.76 -1.25 120.40 116.19 3ihg s VAL 8 Ca -0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3ihg s VAL 8 Cb 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3ihg s VAL 8 CO 0.86 0.30 0.03 -0.22 0.00 0.00 0.00 175.10 176.06 3ihg s LEU 9 N 0.58 3.28 -0.17 3.92 2.96 0.05 -1.96 118.68 127.33 3ihg s LEU 9 Ca -0.11 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3ihg s LEU 9 Cb -0.13 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3ihg s LEU 9 CO 0.02 -0.01 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.30 3ihg s VAL 10 N 1.47 3.67 -0.31 1.68 1.01 -0.09 0.16 120.40 127.99 3ihg s VAL 10 Ca 0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 3ihg s VAL 10 Cb -0.15 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.64 3ihg s VAL 10 CO 0.02 0.47 0.06 -0.69 0.00 0.00 0.00 175.10 174.96 3ihg s VAL 11 N 0.69 3.64 0.00 2.92 1.01 -0.71 -0.33 120.40 127.61 3ihg s VAL 11 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3ihg s VAL 11 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3ihg s VAL 11 CO 0.02 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3ihg n GLY 12 N 4.79 2.60 1.25 4.51 0.00 0.53 -0.83 105.19 118.04 3ihg n GLY 12 Ca -0.14 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 3ihg n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg n ALA 13 N 1.27 3.66 -1.00 4.61 0.00 -1.26 -4.29 120.51 123.50 3ihg n ALA 13 Ca 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.23 3ihg n ALA 13 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3ihg n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihg n GLY 14 N -0.70 -1.00 0.19 0.00 0.00 -1.26 -4.74 105.19 97.68 3ihg n GLY 14 Ca 0.21 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.69 3ihg n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ihg h LEU 15 N 0.00 0.00 -0.11 0.99 3.38 -1.94 -1.93 115.31 115.71 3ihg h LEU 15 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3ihg h LEU 15 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ihg h LEU 15 CO 0.00 0.27 -0.15 1.23 0.09 0.00 0.00 178.44 179.88 3ihg h GLY 16 N 3.17 0.32 1.00 0.83 0.00 -1.90 -2.87 103.07 103.63 3ihg h GLY 16 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3ihg h GLY 16 CO 0.04 0.32 0.23 -1.33 0.00 0.00 0.00 176.54 175.79 3ihg h GLY 17 N -0.12 0.50 1.21 4.60 0.00 -1.73 -2.56 103.07 104.97 3ihg h GLY 17 Ca 0.01 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 3ihg h GLY 17 CO 0.04 0.19 -0.44 1.41 0.00 0.00 0.00 176.54 177.74 3ihg h LEU 18 N 0.48 0.92 0.38 3.11 3.38 -1.44 -1.06 115.31 121.07 3ihg h LEU 18 Ca 0.13 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3ihg h LEU 18 Cb -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3ihg h LEU 18 CO -0.03 1.22 -0.47 -1.28 0.09 0.00 0.00 178.44 177.97 3ihg h SER 19 N 0.68 -1.33 -0.44 -0.43 0.87 -1.58 0.25 113.55 111.58 3ihg h SER 19 Ca 0.04 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 3ihg h SER 19 Cb 1.02 0.45 -0.09 0.00 -0.44 0.00 0.00 62.40 63.34 3ihg h SER 19 CO 0.10 -0.59 -0.51 0.74 -0.53 0.00 0.00 176.83 176.04 3ihg h THR 20 N -0.87 0.04 -0.29 2.23 2.02 -1.19 0.04 112.91 114.89 3ihg h THR 20 Ca -0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.20 3ihg h THR 20 Cb 0.78 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.15 3ihg h THR 20 CO -0.11 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.46 3ihg h ALA 21 N 0.16 -0.26 -0.04 6.16 0.00 -1.19 0.22 119.26 124.32 3ihg h ALA 21 Ca 0.10 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3ihg h ALA 21 Cb 0.59 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 3ihg h ALA 21 CO -0.61 -0.75 -0.26 1.98 0.00 0.00 0.00 179.25 179.61 3ihg h MET 22 N -0.31 -0.37 0.00 0.00 -1.53 0.23 0.25 114.93 113.21 3ihg h MET 22 Ca 0.14 0.03 -0.08 0.00 -3.44 0.00 0.00 59.70 56.35 3ihg h MET 22 Cb 0.54 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.66 3ihg h MET 22 CO -0.46 -0.24 -0.37 0.74 0.14 0.00 0.00 176.91 176.72 3ihg h PHE 23 N -0.38 0.00 -0.15 1.39 0.04 -0.89 -2.20 116.94 114.74 3ihg h PHE 23 Ca 0.07 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.66 3ihg h PHE 23 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 3ihg h PHE 23 CO -0.31 0.37 -0.67 -0.07 -0.60 0.00 0.00 178.31 177.03 3ihg h LEU 24 N 0.00 0.70 -0.51 1.54 3.38 0.25 -3.25 115.31 117.42 3ihg h LEU 24 Ca -0.00 -0.42 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 3ihg h LEU 24 Cb 0.80 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3ihg h LEU 24 CO 0.05 1.18 -0.28 0.00 0.09 0.00 0.00 178.44 179.48 3ihg h ALA 25 N 0.82 0.70 0.00 1.53 0.00 -0.32 -2.46 119.26 119.53 3ihg h ALA 25 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ihg h ALA 25 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ihg h ALA 25 CO 0.13 0.67 0.00 0.00 0.00 0.00 0.00 179.25 180.05 3ihg h ARG 26 N 0.78 0.00 -0.19 0.00 3.08 -1.43 -0.11 114.38 116.51 3ihg h ARG 26 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3ihg h ARG 26 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3ihg h ARG 26 CO 0.07 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 180.01 3ihg n GLN 27 N -2.51 2.19 -0.69 0.04 1.13 -0.96 -4.96 117.38 111.61 3ihg n GLN 27 Ca -0.01 -1.98 0.00 0.00 -1.94 0.00 0.00 57.00 53.06 3ihg n GLN 27 Cb 0.09 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.00 3ihg n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ihg n GLY 28 N 1.28 0.58 3.75 1.08 0.00 -0.05 -5.06 105.19 106.76 3ihg n GLY 28 Ca 0.15 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 3ihg n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihg s VAL 29 N -2.00 5.00 -0.48 1.61 1.01 -0.97 -5.02 120.40 119.55 3ihg s VAL 29 Ca 0.00 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.91 3ihg s VAL 29 Cb 0.00 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3ihg s VAL 29 CO 0.00 0.37 1.36 -0.13 0.00 0.00 0.00 175.10 176.70 3ihg s ARG 30 N 0.15 3.51 0.06 2.72 0.52 -1.26 -4.28 118.95 120.38 3ihg s ARG 30 Ca 0.31 0.70 0.05 0.00 -0.52 0.00 0.00 55.73 56.27 3ihg s ARG 30 Cb -0.17 -4.03 -0.03 0.00 0.52 0.00 0.00 34.95 31.23 3ihg s ARG 30 CO 0.16 -1.65 -0.15 0.54 0.02 0.00 0.00 175.30 174.21 3ihg s VAL 31 N 5.44 1.20 -0.05 3.52 0.11 -1.26 -0.43 120.40 128.93 3ihg s VAL 31 Ca 0.56 -1.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 3ihg s VAL 31 Cb -0.11 -1.11 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 3ihg s VAL 31 CO 0.30 -0.09 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.72 3ihg s LEU 32 N -1.47 1.19 -0.19 2.54 2.96 -0.83 -2.75 118.68 120.13 3ihg s LEU 32 Ca 0.01 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 3ihg s LEU 32 Cb -0.09 -0.47 -0.05 0.00 0.50 0.00 0.00 46.19 46.09 3ihg s LEU 32 CO 0.02 -0.08 0.11 -0.69 -1.32 0.00 0.00 176.35 174.39 3ihg s VAL 33 N 1.13 5.21 -0.01 1.68 1.01 -0.00 -0.92 120.40 128.51 3ihg s VAL 33 Ca -0.08 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3ihg s VAL 33 Cb -0.14 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3ihg s VAL 33 CO -0.01 0.46 -0.14 0.68 0.00 0.00 0.00 175.10 176.09 3ihg s VAL 34 N 0.25 3.10 -0.08 2.92 -7.23 0.55 0.30 120.40 120.20 3ihg s VAL 34 Ca 0.07 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 3ihg s VAL 34 Cb -0.11 -2.27 0.04 0.00 0.56 0.00 0.00 36.38 34.59 3ihg s VAL 34 CO -0.01 0.46 0.17 -0.70 -0.31 0.00 0.00 175.10 174.72 3ihg s GLU 35 N -1.12 0.11 0.35 4.82 2.56 -0.80 -0.35 118.70 124.28 3ihg s GLU 35 Ca 0.14 0.45 0.16 0.00 0.00 0.00 0.00 54.97 55.71 3ihg s GLU 35 Cb -0.11 -0.18 0.64 0.00 2.00 0.00 0.00 34.13 36.49 3ihg s GLU 35 CO 0.04 -0.19 1.74 0.07 -0.56 0.00 0.00 175.26 176.35 3ihg h ARG 36 N 7.45 0.00 -7.13 4.30 0.11 -1.63 0.43 114.38 117.91 3ihg h ARG 36 Ca -0.37 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.21 3ihg h ARG 36 Cb 1.14 0.00 0.07 0.00 1.11 0.00 0.00 29.97 32.29 3ihg h ARG 36 CO 0.36 0.43 0.40 1.03 0.10 0.00 0.00 179.97 182.29 3ihg s ARG 37 N -3.77 3.28 0.06 0.08 0.52 -1.26 -3.67 118.95 114.18 3ihg s ARG 37 Ca -0.01 1.46 0.19 0.00 -0.52 0.00 0.00 55.73 56.85 3ihg s ARG 37 Cb 0.12 -2.01 0.79 0.00 0.52 0.00 0.00 34.95 34.37 3ihg s ARG 37 CO 0.71 -0.88 1.59 -2.30 0.02 0.00 0.00 175.30 174.44 3ihg n PRO 38 N -1.63 0.05 -3.55 3.54 -0.02 -1.26 -0.24 135.00 131.89 3ihg n PRO 38 Ca 0.11 0.24 -0.07 0.00 -2.02 0.00 0.00 63.50 61.76 3ihg n PRO 38 Cb 0.52 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.40 3ihg n PRO 38 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ihg s GLY 39 N -3.12 -0.39 0.52 -1.23 0.00 -1.26 -4.71 107.32 97.12 3ihg s GLY 39 Ca 0.08 1.20 -0.23 0.00 0.00 0.00 0.00 44.72 45.77 3ihg s GLY 39 CO 0.34 0.39 1.39 1.08 0.00 0.00 0.00 173.10 176.31 3ihg s LEU 40 N -2.39 3.94 0.19 0.66 1.43 -1.26 -4.95 118.68 116.30 3ihg s LEU 40 Ca 0.07 2.83 -0.30 0.00 -1.03 0.00 0.00 54.13 55.70 3ihg s LEU 40 Cb -0.01 -4.16 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 3ihg s LEU 40 CO -0.07 -1.45 1.15 -0.55 0.23 0.00 0.00 176.35 175.66 3ihg s SER 41 N -0.79 7.17 0.00 2.29 0.15 -1.26 -4.92 113.70 116.34 3ihg s SER 41 Ca 0.68 2.19 0.30 0.00 0.70 0.00 0.00 55.95 59.82 3ihg s SER 41 Cb -0.42 -2.61 1.53 0.00 -1.71 0.00 0.00 66.02 62.82 3ihg s SER 41 CO 0.51 -0.29 2.05 -0.81 1.20 0.00 0.00 173.24 175.90 3ihg n PRO 42 N 2.29 0.52 -2.60 5.44 -0.04 -1.26 -4.56 135.00 134.79 3ihg n PRO 42 Ca 0.03 -0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3ihg n PRO 42 Cb 0.45 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 3ihg n PRO 42 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ihg s TYR 43 N -2.50 3.67 0.26 0.54 2.02 -1.26 -4.73 117.35 115.35 3ihg s TYR 43 Ca 0.31 1.66 -0.01 0.00 -0.37 0.00 0.00 57.07 58.65 3ihg s TYR 43 Cb 0.20 -3.19 0.52 0.00 -0.40 0.00 0.00 41.96 39.09 3ihg s TYR 43 CO 0.45 -0.31 1.77 -1.00 -1.57 0.00 0.00 175.55 174.89 3ihg h PRO 44 N 5.49 0.65 0.00 -1.71 0.13 -1.95 -3.34 132.00 131.26 3ihg h PRO 44 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ihg h PRO 44 Cb 1.21 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ihg h PRO 44 CO 0.73 0.43 0.00 0.54 -0.23 0.00 0.00 178.00 179.47 3ihg n ARG 45 N -4.84 0.00 -2.66 0.86 1.74 -1.26 -1.20 116.66 109.29 3ihg n ARG 45 Ca 0.17 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 3ihg n ARG 45 Cb 0.41 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.83 3ihg n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ihg s ALA 46 N -1.04 3.60 0.14 7.54 0.00 -1.26 -4.74 121.76 126.00 3ihg s ALA 46 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.28 3ihg s ALA 46 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 3ihg s ALA 46 CO 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 175.76 174.73 3ihg s ALA 47 N 2.85 2.89 0.00 0.00 0.00 -1.26 -1.56 121.76 124.68 3ihg s ALA 47 Ca 0.45 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3ihg s ALA 47 Cb -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.18 3ihg s ALA 47 CO 0.10 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.83 3ihg n GLY 48 N 0.46 0.60 3.12 0.00 0.00 -0.27 -4.94 105.19 104.16 3ihg n GLY 48 Ca -0.13 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 3ihg n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ihg s GLN 49 N -5.10 2.72 0.73 1.61 1.11 0.20 -4.79 119.66 116.13 3ihg s GLN 49 Ca 0.00 -1.03 -0.08 0.00 0.01 0.00 0.00 55.36 54.26 3ihg s GLN 49 Cb 0.00 -2.77 0.07 0.00 -1.01 0.00 0.00 33.01 29.29 3ihg s GLN 49 CO 0.00 -0.37 1.05 0.54 0.01 0.00 0.00 175.29 176.53 3ihg s ASN 50 N 1.24 4.74 0.50 5.90 2.20 -1.26 -1.45 114.94 126.81 3ihg s ASN 50 Ca -0.01 0.53 0.21 0.00 -0.94 0.00 0.00 52.86 52.66 3ihg s ASN 50 Cb -0.16 -1.15 1.30 0.00 -2.00 0.00 0.00 41.25 39.24 3ihg s ASN 50 CO -0.08 -1.67 2.07 -0.65 -2.94 0.00 0.00 177.10 173.83 3ihg h PRO 51 N -0.71 0.00 -0.01 3.55 0.11 -1.87 0.61 132.00 133.69 3ihg h PRO 51 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ihg h PRO 51 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3ihg h PRO 51 CO 0.62 0.12 0.00 -0.09 -0.21 0.00 0.00 178.00 178.44 3ihg h ARG 52 N 0.00 0.01 -0.50 1.05 9.65 -1.86 -1.50 114.38 121.22 3ihg h ARG 52 Ca -0.00 -0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.91 3ihg h ARG 52 Cb 0.26 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 3ihg h ARG 52 CO 0.02 0.26 0.27 1.15 2.80 0.00 0.00 179.97 184.47 3ihg h THR 53 N -0.25 0.99 -0.88 0.20 2.02 -1.42 -0.42 112.91 113.16 3ihg h THR 53 Ca 0.00 -0.18 0.13 0.00 0.77 0.00 0.00 66.41 67.12 3ihg h THR 53 Cb 0.26 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 3ihg h THR 53 CO 0.00 0.10 0.57 0.24 0.37 0.00 0.00 175.52 176.80 3ihg h MET 54 N 0.54 0.73 -0.64 6.66 2.86 -0.90 0.90 114.93 125.08 3ihg h MET 54 Ca 0.21 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3ihg h MET 54 Cb 0.09 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3ihg h MET 54 CO -0.13 0.48 0.34 0.93 1.06 0.00 0.00 176.91 179.59 3ihg h GLU 55 N 0.75 0.89 0.11 1.72 5.08 0.01 0.81 114.58 123.94 3ihg h GLU 55 Ca 0.43 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.53 3ihg h GLU 55 Cb 0.61 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.70 3ihg h GLU 55 CO -0.20 0.66 -0.79 -0.07 -1.00 0.00 0.00 179.01 177.62 3ihg h LEU 56 N 0.89 0.35 -1.29 1.33 3.38 -0.98 -2.34 115.31 116.66 3ihg h LEU 56 Ca 0.23 -0.93 0.13 0.00 0.09 0.00 0.00 57.88 57.40 3ihg h LEU 56 Cb 0.04 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3ihg h LEU 56 CO -0.04 1.36 0.57 -0.07 0.09 0.00 0.00 178.44 180.35 3ihg h LEU 57 N -0.50 0.67 -0.02 1.67 3.38 -0.75 0.31 115.31 120.07 3ihg h LEU 57 Ca -0.15 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ihg h LEU 57 Cb 1.53 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 3ihg h LEU 57 CO 0.10 0.36 0.01 -0.09 0.09 0.00 0.00 178.44 178.90 3ihg h ARG 58 N 0.72 0.02 -0.60 1.13 2.43 -0.85 -1.28 114.38 115.96 3ihg h ARG 58 Ca 0.43 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.70 3ihg h ARG 58 Cb 0.64 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.11 3ihg h ARG 58 CO -0.19 0.05 0.19 0.82 -1.51 0.00 0.00 179.97 179.33 3ihg h ILE 59 N -0.01 0.73 0.00 1.20 2.04 -0.64 -1.42 117.51 119.42 3ihg h ILE 59 Ca 0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3ihg h ILE 59 Cb 0.03 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3ihg h ILE 59 CO -0.00 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.82 3ihg n GLY 60 N -1.30 -0.88 2.02 5.37 0.00 0.96 -4.87 105.19 106.50 3ihg n GLY 60 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 3ihg n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihg n GLY 61 N -0.57 0.45 0.52 -0.02 0.00 -0.53 -4.91 105.19 100.12 3ihg n GLY 61 Ca 0.02 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.28 3ihg n GLY 61 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ihg n VAL 62 N -2.98 0.17 -0.29 1.61 0.24 -0.89 -4.72 118.33 111.47 3ihg n VAL 62 Ca -0.01 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3ihg n VAL 62 Cb 0.02 1.12 0.13 0.00 -1.47 0.00 0.00 33.84 33.65 3ihg n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ihg h ALA 63 N 2.36 1.12 -0.23 2.33 0.00 -1.81 -0.65 119.26 122.38 3ihg h ALA 63 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3ihg h ALA 63 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ihg h ALA 63 CO 0.00 0.25 -0.40 -0.44 0.00 0.00 0.00 179.25 178.66 3ihg h ASP 64 N 0.93 0.55 -0.41 0.00 3.32 -1.91 -0.70 116.42 118.20 3ihg h ASP 64 Ca 0.36 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3ihg h ASP 64 Cb 0.15 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ihg h ASP 64 CO -0.17 0.89 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.68 3ihg h GLU 65 N 0.43 0.92 -0.89 3.56 5.08 -1.80 -2.40 114.58 119.49 3ihg h GLU 65 Ca 0.04 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 3ihg h GLU 65 Cb 0.88 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3ihg h GLU 65 CO 0.08 1.05 0.58 0.28 -1.00 0.00 0.00 179.01 179.99 3ihg h VAL 66 N 0.79 1.23 -0.00 3.13 2.07 -0.68 -2.08 116.25 120.71 3ihg h VAL 66 Ca 0.10 -0.43 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 3ihg h VAL 66 Cb 0.79 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3ihg h VAL 66 CO 0.07 0.23 -0.65 0.58 0.02 0.00 0.00 177.57 177.81 3ihg h VAL 67 N 1.20 1.47 0.00 2.57 2.07 -1.07 -3.12 116.25 119.38 3ihg h VAL 67 Ca 0.32 -2.24 -0.07 0.00 0.82 0.00 0.00 66.70 65.53 3ihg h VAL 67 Cb -0.12 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3ihg h VAL 67 CO -0.07 0.64 -0.35 0.03 0.02 0.00 0.00 177.57 177.84 3ihg h ARG 68 N 0.00 0.00 -7.41 1.57 3.08 -1.01 -3.47 114.38 107.14 3ihg h ARG 68 Ca -0.01 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.55 3ihg h ARG 68 Cb 1.16 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.31 3ihg h ARG 68 CO 0.09 0.35 0.36 0.00 -1.07 0.00 0.00 179.97 179.69 3ihg s ALA 69 N -3.24 2.45 0.02 0.04 0.00 -0.82 -4.95 121.76 115.25 3ihg s ALA 69 Ca 0.03 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 3ihg s ALA 69 Cb 0.08 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 3ihg s ALA 69 CO 0.70 -1.53 1.42 -0.51 0.00 0.00 0.00 175.76 175.84 3ihg s ASP 70 N -3.97 6.83 0.00 0.00 1.01 -1.26 -4.96 116.67 114.31 3ihg s ASP 70 Ca 0.60 2.16 0.00 0.00 0.71 0.00 0.00 52.55 56.02 3ihg s ASP 70 Cb -0.14 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.23 3ihg s ASP 70 CO 0.54 -0.72 0.00 -0.90 0.21 0.00 0.00 175.17 174.29 3ihg n ASP 71 N 5.26 0.54 -0.48 0.27 5.68 -1.26 -4.60 116.55 121.97 3ihg n ASP 71 Ca 0.13 -0.91 0.08 0.00 -0.50 0.00 0.00 54.79 53.60 3ihg n ASP 71 Cb 0.43 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.44 3ihg n ASP 71 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3ihg n ILE 72 N -0.66 0.00 -0.60 2.12 -5.35 -0.12 -4.09 119.36 110.66 3ihg n ILE 72 Ca 0.00 -0.40 -0.30 0.00 -0.27 0.00 0.00 62.75 61.78 3ihg n ILE 72 Cb 0.00 1.25 0.20 0.00 -1.74 0.00 0.00 39.64 39.35 3ihg n ILE 72 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3ihg n ARG 73 N 0.27 -1.53 -1.35 6.28 1.74 -1.26 -4.60 116.66 116.21 3ihg n ARG 73 Ca 0.08 -0.41 -0.26 0.00 -0.77 0.00 0.00 57.85 56.49 3ihg n ARG 73 Cb 0.37 -2.11 0.20 0.00 -1.02 0.00 0.00 32.46 29.90 3ihg n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ihg n GLY 74 N 1.04 -2.04 0.28 -0.13 0.00 -0.98 -4.85 105.19 98.51 3ihg n GLY 74 Ca 0.05 -1.61 0.17 0.00 0.00 0.00 0.00 46.02 44.64 3ihg n GLY 74 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ihg h THR 75 N -2.10 0.11 -0.30 2.61 1.35 -1.95 -0.64 112.91 111.99 3ihg h THR 75 Ca -0.38 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3ihg h THR 75 Cb 1.08 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3ihg h THR 75 CO 0.26 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.56 3ihg n GLN 76 N -3.17 1.72 -2.77 4.72 6.02 -1.26 -4.92 117.38 117.71 3ihg n GLN 76 Ca -0.00 -1.11 -0.18 0.00 -0.01 0.00 0.00 57.00 55.69 3ihg n GLN 76 Cb 0.27 -1.25 0.02 0.00 1.02 0.00 0.00 30.24 30.30 3ihg n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ihg n GLY 77 N 1.00 -0.30 3.29 1.08 0.00 -0.25 -5.00 105.19 105.01 3ihg n GLY 77 Ca 0.11 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 3ihg n GLY 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ihg s ASP 78 N -2.66 1.84 -0.17 1.61 2.15 -1.26 -4.86 116.67 113.32 3ihg s ASP 78 Ca 0.20 -1.10 -0.09 0.00 0.43 0.00 0.00 52.55 51.99 3ihg s ASP 78 Cb -0.09 -0.01 0.06 0.00 -0.30 0.00 0.00 42.92 42.58 3ihg s ASP 78 CO 0.25 -0.40 0.41 0.12 -0.17 0.00 0.00 175.17 175.38 3ihg s PHE 79 N -3.35 -0.59 0.09 -5.34 5.36 -1.26 -2.31 117.98 110.58 3ihg s PHE 79 Ca 0.22 1.28 0.09 0.00 -0.96 0.00 0.00 56.93 57.56 3ihg s PHE 79 Cb 0.04 0.26 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 3ihg s PHE 79 CO 0.04 -0.34 -0.25 0.54 -1.46 0.00 0.00 175.22 173.76 3ihg s VAL 80 N 1.34 2.02 -0.10 3.12 0.11 -0.48 -2.15 120.40 124.26 3ihg s VAL 80 Ca -0.09 -1.53 0.02 0.00 -2.93 0.00 0.00 61.98 57.45 3ihg s VAL 80 Cb -0.08 -1.78 0.01 0.00 -1.53 0.00 0.00 36.38 33.00 3ihg s VAL 80 CO -0.12 0.15 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.01 3ihg s ILE 81 N -0.97 1.54 -0.05 7.04 1.01 -0.32 -1.02 121.20 128.44 3ihg s ILE 81 Ca 0.11 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 3ihg s ILE 81 Cb -0.10 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 41.00 3ihg s ILE 81 CO 0.04 0.45 0.28 -0.13 0.00 0.00 0.00 174.94 175.58 3ihg s ARG 82 N 0.87 0.53 -0.13 2.79 0.52 -0.55 -0.81 118.95 122.17 3ihg s ARG 82 Ca -0.09 -0.01 -0.14 0.00 -0.52 0.00 0.00 55.73 54.97 3ihg s ARG 82 Cb -0.15 0.24 -0.05 0.00 0.52 0.00 0.00 34.95 35.51 3ihg s ARG 82 CO 0.00 -0.13 0.33 -0.51 0.02 0.00 0.00 175.30 175.01 3ihg s LEU 83 N -0.82 4.28 0.19 2.53 1.02 0.58 -0.23 118.68 126.23 3ihg s LEU 83 Ca -0.09 0.60 -0.19 0.00 0.02 0.00 0.00 54.13 54.47 3ihg s LEU 83 Cb -0.04 -2.43 0.04 0.00 0.02 0.00 0.00 46.19 43.77 3ihg s LEU 83 CO 0.03 0.12 0.54 0.00 0.02 0.00 0.00 176.35 177.06 3ihg s ALA 84 N 0.25 -1.07 0.08 4.21 0.00 -0.59 0.36 121.76 125.00 3ihg s ALA 84 Ca 0.19 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3ihg s ALA 84 Cb -0.14 0.85 -0.25 0.00 0.00 0.00 0.00 23.12 23.58 3ihg s ALA 84 CO 0.06 -0.80 1.13 0.93 0.00 0.00 0.00 175.76 177.08 3ihg h GLU 85 N 2.16 0.14 -3.99 0.00 5.08 -1.72 0.01 114.58 116.27 3ihg h GLU 85 Ca -0.29 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 57.71 3ihg h GLU 85 Cb 1.27 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 30.48 3ihg h GLU 85 CO 0.37 1.07 -0.36 -1.54 -1.00 0.00 0.00 179.01 177.55 3ihg s SER 86 N -6.88 0.06 0.01 1.42 1.04 -1.26 -3.96 113.70 104.13 3ihg s SER 86 Ca -0.03 -0.97 -0.09 0.00 0.48 0.00 0.00 55.95 55.34 3ihg s SER 86 Cb 0.08 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 3ihg s SER 86 CO 0.85 -0.91 0.97 0.58 0.98 0.00 0.00 173.24 175.72 3ihg h VAL 87 N 2.54 0.00 -1.46 5.02 2.07 -0.87 -3.30 116.25 120.25 3ihg h VAL 87 Ca -0.32 -0.04 -0.70 0.00 0.82 0.00 0.00 66.70 66.46 3ihg h VAL 87 Cb 1.23 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.88 3ihg h VAL 87 CO 0.48 0.00 1.80 0.00 0.02 0.00 0.00 177.57 179.87 3ihg s ARG 88 N -3.41 4.02 0.00 1.57 1.70 -1.26 -4.77 118.95 116.81 3ihg s ARG 88 Ca -0.05 -2.23 0.00 0.00 -0.47 0.00 0.00 55.73 52.98 3ihg s ARG 88 Cb 0.00 -5.32 0.00 0.00 -0.57 0.00 0.00 34.95 29.07 3ihg s ARG 88 CO 0.14 -2.04 0.00 0.41 -1.08 0.00 0.00 175.30 172.73 3ihg n GLY 89 N 4.87 2.42 3.73 3.88 0.00 -1.24 -4.89 105.19 113.96 3ihg n GLY 89 Ca 0.43 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3ihg n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihg s GLU 90 N 1.30 3.86 -0.42 1.61 8.01 -1.26 -4.99 118.70 126.82 3ihg s GLU 90 Ca 0.00 -0.25 -0.29 0.00 0.01 0.00 0.00 54.97 54.44 3ihg s GLU 90 Cb 0.00 -3.26 0.01 0.00 -4.31 0.00 0.00 34.13 26.58 3ihg s GLU 90 CO 0.00 0.43 1.33 0.42 0.01 0.00 0.00 175.26 177.45 3ihg s ILE 91 N -0.05 4.01 0.13 -1.63 1.01 -1.26 -3.69 121.20 119.72 3ihg s ILE 91 Ca 0.08 1.04 -0.17 0.00 0.00 0.00 0.00 60.65 61.61 3ihg s ILE 91 Cb -0.12 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 3ihg s ILE 91 CO 0.00 -0.79 1.75 -0.07 0.00 0.00 0.00 174.94 175.83 3ihg h LEU 92 N 11.80 0.43 -7.00 2.97 3.38 -0.44 -3.46 115.31 122.99 3ihg h LEU 92 Ca -0.26 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3ihg h LEU 92 Cb 1.09 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.52 3ihg h LEU 92 CO 1.09 0.39 0.12 -0.60 0.09 0.00 0.00 178.44 179.53 3ihg s ARG 93 N -5.90 0.83 -0.34 1.13 3.52 -0.96 -5.00 118.95 112.24 3ihg s ARG 93 Ca -0.13 1.01 -0.13 0.00 -0.13 0.00 0.00 55.73 56.35 3ihg s ARG 93 Cb 0.10 0.39 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 3ihg s ARG 93 CO 0.73 -0.10 0.27 0.99 -0.81 0.00 0.00 175.30 176.37 3ihg s THR 94 N 0.46 5.26 -0.02 4.11 2.01 -1.26 -0.30 115.64 125.89 3ihg s THR 94 Ca -0.01 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 3ihg s THR 94 Cb -0.05 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3ihg s THR 94 CO -0.00 -0.02 0.43 0.58 -0.69 0.00 0.00 174.62 174.92 3ihg h VAL 95 N 5.50 0.00 -3.26 3.82 2.07 -1.34 -3.45 116.25 119.59 3ihg h VAL 95 Ca -0.31 -0.25 -0.67 0.00 0.82 0.00 0.00 66.70 66.29 3ihg h VAL 95 Cb 1.16 0.00 -0.31 0.00 -1.52 0.00 0.00 31.29 30.62 3ihg h VAL 95 CO 0.64 0.00 -0.81 -0.55 0.02 0.00 0.00 177.57 176.87 3ihg s SER 96 N -3.56 3.58 0.22 0.57 0.15 -0.76 -4.98 113.70 108.92 3ihg s SER 96 Ca -0.03 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.15 3ihg s SER 96 Cb 0.00 -1.55 0.18 0.00 -1.71 0.00 0.00 66.02 62.95 3ihg s SER 96 CO 0.08 0.07 1.52 -0.08 1.20 0.00 0.00 173.24 176.03 3ihg h GLU 97 N 7.39 0.30 -2.89 5.44 4.57 -1.87 -0.83 114.58 126.69 3ihg h GLU 97 Ca -0.34 -0.22 0.08 0.00 -1.18 0.00 0.00 59.36 57.70 3ihg h GLU 97 Cb 1.18 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.75 3ihg h GLU 97 CO 0.57 0.84 0.27 -1.54 -1.18 0.00 0.00 179.01 177.97 3ihg s SER 98 N -6.91 -0.27 0.02 1.04 1.04 -1.26 -4.75 113.70 102.61 3ihg s SER 98 Ca -0.05 -0.52 -0.25 0.00 0.48 0.00 0.00 55.95 55.61 3ihg s SER 98 Cb 0.11 0.68 -0.18 0.00 0.10 0.00 0.00 66.02 66.73 3ihg s SER 98 CO 0.81 -1.24 1.44 0.15 0.98 0.00 0.00 173.24 175.38 3ihg h PHE 99 N 2.00 -0.02 -0.91 5.02 3.57 -1.76 -2.09 116.94 122.75 3ihg h PHE 99 Ca -0.21 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.53 3ihg h PHE 99 Cb 1.25 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 3ihg h PHE 99 CO 0.40 0.28 0.63 -0.44 -2.23 0.00 0.00 178.31 176.96 3ihg h ASP 100 N -0.32 0.15 0.95 0.41 5.19 -1.91 0.07 116.42 120.96 3ihg h ASP 100 Ca -0.00 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.27 3ihg h ASP 100 Cb 0.31 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 3ihg h ASP 100 CO 0.00 0.05 -1.13 0.44 -3.12 0.00 0.00 179.24 175.49 3ihg h ASP 101 N 0.15 0.00 -0.23 6.45 5.19 -1.96 -2.18 116.42 123.84 3ihg h ASP 101 Ca 0.45 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.77 3ihg h ASP 101 Cb 1.54 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.05 3ihg h ASP 101 CO -0.08 0.61 -0.20 -0.03 -3.12 0.00 0.00 179.24 176.42 3ihg h MET 102 N 0.00 0.54 -0.49 3.56 4.05 -0.31 -2.53 114.93 119.76 3ihg h MET 102 Ca -0.11 -0.28 -0.05 0.00 -0.28 0.00 0.00 59.70 58.98 3ihg h MET 102 Cb 1.56 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.34 3ihg h MET 102 CO 0.06 0.86 0.11 0.28 0.23 0.00 0.00 176.91 178.45 3ihg h VAL 103 N 0.24 1.24 -0.07 -5.77 2.07 -1.29 -3.12 116.25 109.55 3ihg h VAL 103 Ca 0.04 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.72 3ihg h VAL 103 Cb 0.74 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3ihg h VAL 103 CO 0.05 0.31 0.05 0.00 0.02 0.00 0.00 177.57 177.99 3ihg h ALA 104 N 0.99 1.99 -0.40 1.67 0.00 -1.28 -1.60 119.26 120.63 3ihg h ALA 104 Ca 0.15 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3ihg h ALA 104 Cb 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ihg h ALA 104 CO 0.00 -0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.52 3ihg h ALA 105 N 1.96 2.04 -0.00 0.00 0.00 -1.38 -3.17 119.26 118.71 3ihg h ALA 105 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ihg h ALA 105 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ihg h ALA 105 CO -0.00 -0.12 -0.01 0.25 0.00 0.00 0.00 179.25 179.37 3ihg n THR 106 N -4.47 0.00 -0.42 0.00 -2.24 -0.67 -4.81 114.28 101.67 3ihg n THR 106 Ca 0.05 -0.50 0.36 0.00 -2.27 0.00 0.00 64.05 61.70 3ihg n THR 106 Cb 0.28 1.01 0.68 0.00 -2.10 0.00 0.00 70.33 70.20 3ihg n THR 106 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ihg h GLU 107 N 0.05 0.11 0.00 -0.78 4.22 -1.35 0.38 114.58 117.21 3ihg h GLU 107 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3ihg h GLU 107 Cb 0.02 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ihg h GLU 107 CO 0.00 0.07 0.00 -0.35 -2.18 0.00 0.00 179.01 176.55 3ihg n PRO 108 N -4.39 0.21 -0.19 0.92 -0.04 -1.26 -3.54 135.00 126.70 3ihg n PRO 108 Ca 0.32 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.87 3ihg n PRO 108 Cb 1.34 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 33.46 3ihg n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ihg s THR 110 N -1.07 0.00 -0.28 0.00 -1.32 -1.05 -4.40 115.64 107.52 3ihg s THR 110 Ca 0.24 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.93 3ihg s THR 110 Cb 0.13 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.24 3ihg s THR 110 CO 0.16 0.00 1.32 1.55 -2.21 0.00 0.00 174.62 175.44 3ihg h PRO 111 N 3.35 0.00 -7.30 7.08 0.13 -1.91 -3.40 132.00 129.96 3ihg h PRO 111 Ca -0.23 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.39 3ihg h PRO 111 Cb 1.18 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.39 3ihg h PRO 111 CO 0.19 0.15 0.37 0.00 -0.23 0.00 0.00 178.00 178.48 3ihg s ALA 112 N -3.16 2.67 0.00 -0.56 0.00 -1.26 -5.05 121.76 114.39 3ihg s ALA 112 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3ihg s ALA 112 Cb 0.07 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3ihg s ALA 112 CO 0.74 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3ihg n GLY 113 N -1.64 5.31 3.92 0.00 0.00 -1.26 -4.85 105.19 106.66 3ihg n GLY 113 Ca 0.08 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 3ihg n GLY 113 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ihg s TRP 114 N 3.28 3.45 0.27 1.61 0.52 -1.26 -3.09 118.94 123.72 3ihg s TRP 114 Ca 0.00 0.14 0.09 0.00 0.02 0.00 0.00 56.10 56.36 3ihg s TRP 114 Cb 0.00 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.59 3ihg s TRP 114 CO 0.00 0.54 -0.14 0.00 0.02 0.00 0.00 176.95 177.37 3ihg s ALA 115 N -1.65 2.49 -0.14 0.98 0.00 -0.53 -4.97 121.76 117.94 3ihg s ALA 115 Ca 0.34 -1.85 0.19 0.00 0.00 0.00 0.00 51.96 50.63 3ihg s ALA 115 Cb -0.12 -0.09 0.44 0.00 0.00 0.00 0.00 23.12 23.35 3ihg s ALA 115 CO 0.28 0.12 1.18 -1.33 0.00 0.00 0.00 175.76 176.01 3ihg n MET 116 N -0.57 1.19 -2.47 0.00 0.00 -1.26 0.58 117.12 114.59 3ihg n MET 116 Ca -0.06 -2.90 -0.35 0.00 0.00 0.00 0.00 57.70 54.40 3ihg n MET 116 Cb 0.61 -1.02 -0.03 0.00 0.00 0.00 0.00 33.22 32.79 3ihg n MET 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3ihg s LEU 117 N -2.02 3.87 0.66 4.03 1.43 -1.26 -0.95 118.68 124.44 3ihg s LEU 117 Ca 0.36 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.37 3ihg s LEU 117 Cb 0.37 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 3ihg s LEU 117 CO -0.09 -0.84 1.05 -0.94 0.23 0.00 0.00 176.35 175.75 3ihg s SER 118 N -1.85 5.81 0.29 2.29 1.04 -1.26 -1.12 113.70 118.91 3ihg s SER 118 Ca 0.67 1.50 0.04 0.00 0.48 0.00 0.00 55.95 58.65 3ihg s SER 118 Cb -0.19 -2.47 0.72 0.00 0.10 0.00 0.00 66.02 64.18 3ihg s SER 118 CO 0.23 -1.15 1.73 -0.61 0.98 0.00 0.00 173.24 174.42 3ihg h GLN 119 N -0.51 0.51 0.00 4.02 4.15 -0.11 -0.81 115.11 122.35 3ihg h GLN 119 Ca -0.44 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3ihg h GLN 119 Cb 1.20 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3ihg h GLN 119 CO 0.60 0.34 0.00 -0.40 -1.93 0.00 0.00 178.83 177.43 3ihg n ASP 120 N -4.95 0.00 -0.09 -0.69 5.75 -1.25 -1.29 116.55 114.04 3ihg n ASP 120 Ca 0.22 0.41 -0.08 0.00 -0.01 0.00 0.00 54.79 55.32 3ihg n ASP 120 Cb 0.62 -0.45 -0.16 0.00 -1.03 0.00 0.00 41.12 40.09 3ihg n ASP 120 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ihg n LYS 121 N -1.45 0.68 -0.01 0.11 4.76 -0.35 -4.44 118.16 117.45 3ihg n LYS 121 Ca 0.05 -0.01 -0.17 0.00 -2.87 0.00 0.00 58.31 55.31 3ihg n LYS 121 Cb 0.17 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 31.73 3ihg n LYS 121 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3ihg h LEU 122 N 0.00 0.56 -1.10 -0.35 5.85 -1.04 -3.27 115.31 115.96 3ihg h LEU 122 Ca -0.50 -0.69 -0.02 0.00 0.84 0.00 0.00 57.88 57.52 3ihg h LEU 122 Cb 2.15 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.97 3ihg h LEU 122 CO 0.03 1.17 0.39 -0.33 -0.34 0.00 0.00 178.44 179.36 3ihg h GLU 123 N 0.00 1.02 -0.75 1.25 5.08 -1.43 -1.56 114.58 118.19 3ihg h GLU 123 Ca -0.05 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3ihg h GLU 123 Cb 1.20 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 3ihg h GLU 123 CO 0.11 0.76 0.42 -1.35 -1.00 0.00 0.00 179.01 177.94 3ihg h PRO 124 N 1.02 1.04 0.03 2.33 0.11 -1.78 0.34 132.00 135.09 3ihg h PRO 124 Ca 0.26 -0.12 0.01 0.00 0.11 0.00 0.00 66.00 66.26 3ihg h PRO 124 Cb 0.05 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 3ihg h PRO 124 CO -0.04 0.77 -0.06 0.82 -0.21 0.00 0.00 178.00 179.28 3ihg h ILE 125 N 1.03 0.85 -0.03 4.15 2.04 -1.37 0.47 117.51 124.65 3ihg h ILE 125 Ca 0.26 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.15 3ihg h ILE 125 Cb 0.03 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3ihg h ILE 125 CO -0.04 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.90 3ihg h LEU 126 N -0.12 -0.42 -0.37 1.44 3.38 -1.17 -1.75 115.31 116.31 3ihg h LEU 126 Ca 0.02 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3ihg h LEU 126 Cb 0.13 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3ihg h LEU 126 CO -0.04 -0.19 0.06 0.25 0.09 0.00 0.00 178.44 178.60 3ihg h LEU 127 N -0.22 -0.03 -1.14 1.67 5.85 -0.84 -1.24 115.31 119.35 3ihg h LEU 127 Ca 0.06 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3ihg h LEU 127 Cb 0.30 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3ihg h LEU 127 CO -0.16 0.02 0.58 0.00 -0.34 0.00 0.00 178.44 178.54 3ihg h ALA 128 N 1.29 1.43 -0.14 1.25 0.00 -0.69 -0.92 119.26 121.48 3ihg h ALA 128 Ca 0.18 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3ihg h ALA 128 Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ihg h ALA 128 CO -0.25 0.48 -0.58 0.37 0.00 0.00 0.00 179.25 179.27 3ihg h GLN 129 N 1.12 0.45 -0.45 0.00 5.75 -0.99 -1.96 115.11 119.03 3ihg h GLN 129 Ca 0.35 -0.29 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3ihg h GLN 129 Cb 0.00 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3ihg h GLN 129 CO -0.10 0.90 0.21 0.00 -2.65 0.00 0.00 178.83 177.19 3ihg h ALA 130 N 1.04 0.58 -0.26 3.38 0.00 -0.83 -2.43 119.26 120.73 3ihg h ALA 130 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3ihg h ALA 130 Cb 1.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3ihg h ALA 130 CO 0.10 0.15 -0.02 0.00 0.00 0.00 0.00 179.25 179.48 3ihg h ARG 131 N 0.58 0.47 -0.83 0.00 3.08 -1.04 0.17 114.38 116.81 3ihg h ARG 131 Ca 0.15 -0.16 0.17 0.00 0.07 0.00 0.00 59.98 60.21 3ihg h ARG 131 Cb 0.14 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3ihg h ARG 131 CO -0.02 0.66 0.55 -0.22 -1.07 0.00 0.00 179.97 179.87 3ihg h LYS 132 N 0.24 0.42 -0.55 0.04 3.64 -1.35 0.29 116.57 119.30 3ihg h LYS 132 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ihg h LYS 132 Cb 0.46 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3ihg h LYS 132 CO 0.02 0.28 0.00 0.72 -2.27 0.00 0.00 179.45 178.20 3ihg n HIS 133 N -4.50 0.84 0.00 1.91 8.25 -0.92 -4.93 115.22 115.88 3ihg n HIS 133 Ca 0.17 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3ihg n HIS 133 Cb 0.59 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.61 3ihg n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ihg n GLY 134 N 1.06 0.89 3.86 -1.41 0.00 0.09 -4.59 105.19 105.10 3ihg n GLY 134 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3ihg n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ihg s GLY 135 N -1.65 1.80 0.07 -0.02 0.00 0.54 -4.71 107.32 103.36 3ihg s GLY 135 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.69 3ihg s GLY 135 CO 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 173.10 173.23 3ihg s ALA 136 N -2.89 0.79 0.03 3.20 0.00 -1.11 -4.05 121.76 117.72 3ihg s ALA 136 Ca 0.55 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3ihg s ALA 136 Cb -0.11 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3ihg s ALA 136 CO 0.44 -0.13 -0.09 -1.50 0.00 0.00 0.00 175.76 174.48 3ihg s ILE 137 N -2.55 0.67 -0.23 0.00 2.07 -1.26 -0.82 121.20 119.08 3ihg s ILE 137 Ca 0.01 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 3ihg s ILE 137 Cb -0.02 -0.65 0.06 0.00 0.13 0.00 0.00 42.46 41.98 3ihg s ILE 137 CO -0.02 -0.12 -0.04 -0.13 -1.91 0.00 0.00 174.94 172.73 3ihg s ARG 138 N -1.01 1.45 0.77 3.50 0.52 0.15 -4.92 118.95 119.41 3ihg s ARG 138 Ca -0.03 -0.92 -0.11 0.00 -0.52 0.00 0.00 55.73 54.15 3ihg s ARG 138 Cb -0.07 -2.51 0.05 0.00 0.52 0.00 0.00 34.95 32.94 3ihg s ARG 138 CO 0.00 -0.62 1.09 -0.06 0.02 0.00 0.00 175.30 175.73 3ihg s PHE 139 N 1.46 2.92 -1.29 -0.53 0.08 -1.26 -1.91 117.98 117.46 3ihg s PHE 139 Ca -0.05 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.21 3ihg s PHE 139 Cb -0.19 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 3ihg s PHE 139 CO -0.07 -1.62 0.00 0.41 -0.10 0.00 0.00 175.22 173.84 3ihg n GLY 140 N -2.12 0.74 3.15 4.36 0.00 0.67 -4.85 105.19 107.13 3ihg n GLY 140 Ca 0.07 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 3ihg n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ihg s THR 141 N -2.56 1.77 -0.05 2.61 2.01 -0.26 -4.16 115.64 114.99 3ihg s THR 141 Ca 0.00 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.18 3ihg s THR 141 Cb 0.00 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.97 3ihg s THR 141 CO 0.00 0.49 -0.11 -0.60 -0.69 0.00 0.00 174.62 173.71 3ihg s ARG 142 N 0.52 1.45 0.05 4.92 3.52 -0.17 -1.73 118.95 127.52 3ihg s ARG 142 Ca -0.16 -0.39 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 3ihg s ARG 142 Cb -0.17 -1.25 -0.05 0.00 -1.56 0.00 0.00 34.95 31.92 3ihg s ARG 142 CO 0.06 0.07 1.17 -1.17 -0.81 0.00 0.00 175.30 174.62 3ihg s LEU 143 N 0.48 4.37 -0.24 -0.88 2.96 -1.26 0.18 118.68 124.29 3ihg s LEU 143 Ca -0.10 1.97 -0.08 0.00 -0.22 0.00 0.00 54.13 55.71 3ihg s LEU 143 Cb -0.13 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 3ihg s LEU 143 CO 0.02 -0.45 -0.28 0.18 -1.32 0.00 0.00 176.35 174.51 3ihg n LEU 144 N 3.94 2.16 -3.84 -0.68 4.77 0.17 -4.90 117.00 118.62 3ihg n LEU 144 Ca 0.09 0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 3ihg n LEU 144 Cb 0.47 -0.75 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3ihg n LEU 144 CO 0.55 0.64 0.66 -0.94 -1.33 0.00 0.00 177.39 176.98 3ihg s SER 145 N -6.88 -0.02 -0.00 -1.43 1.04 -1.22 -5.01 113.70 100.18 3ihg s SER 145 Ca -0.33 -0.87 -0.19 0.00 0.48 0.00 0.00 55.95 55.04 3ihg s SER 145 Cb 0.11 0.67 0.04 0.00 0.10 0.00 0.00 66.02 66.94 3ihg s SER 145 CO 0.47 -1.32 0.41 0.72 0.98 0.00 0.00 173.24 174.50 3ihg s PHE 146 N -2.39 -0.30 0.21 5.02 -0.12 -1.26 -0.10 117.98 119.04 3ihg s PHE 146 Ca 0.18 0.42 0.09 0.00 -0.05 0.00 0.00 56.93 57.57 3ihg s PHE 146 Cb -0.04 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.50 3ihg s PHE 146 CO 0.08 -0.49 -0.17 1.03 -0.05 0.00 0.00 175.22 175.62 3ihg s ARG 147 N -1.66 1.39 0.31 1.99 3.00 -0.35 -4.98 118.95 118.65 3ihg s ARG 147 Ca -0.10 -1.57 0.09 0.00 0.00 0.00 0.00 55.73 54.14 3ihg s ARG 147 Cb -0.03 -1.34 -0.05 0.00 0.00 0.00 0.00 34.95 33.53 3ihg s ARG 147 CO 0.03 0.25 0.01 -0.65 0.00 0.00 0.00 175.30 174.94 3ihg s GLN 148 N -3.34 2.18 -0.12 3.54 -0.21 -1.26 -1.10 119.66 119.34 3ihg s GLN 148 Ca 0.22 -1.59 -0.02 0.00 0.02 0.00 0.00 55.36 53.99 3ihg s GLN 148 Cb -0.03 -2.05 0.04 0.00 1.00 0.00 0.00 33.01 31.97 3ihg s GLN 148 CO 0.09 0.23 0.03 -1.01 -2.12 0.00 0.00 175.29 172.51 3ihg s HIS 149 N -2.43 0.68 0.83 0.91 3.76 -0.67 -4.95 115.29 113.42 3ihg s HIS 149 Ca 0.34 -0.39 -0.13 0.00 -0.15 0.00 0.00 55.06 54.72 3ihg s HIS 149 Cb -0.03 -0.84 0.07 0.00 1.11 0.00 0.00 32.58 32.89 3ihg s HIS 149 CO 0.20 -0.44 1.00 -0.25 -0.85 0.00 0.00 174.74 174.40 3ihg n ASP 150 N 5.14 0.22 -0.32 1.40 8.00 -1.26 -2.24 116.55 127.50 3ihg n ASP 150 Ca -0.07 0.53 0.04 0.00 0.71 0.00 0.00 54.79 56.00 3ihg n ASP 150 Cb 0.49 -1.42 0.11 0.00 -0.02 0.00 0.00 41.12 40.28 3ihg n ASP 150 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3ihg h ASP 151 N -1.04 -0.87 -0.98 -2.24 3.32 -1.94 -0.45 116.42 112.21 3ihg h ASP 151 Ca -0.45 0.27 0.04 0.00 0.02 0.00 0.00 57.03 56.91 3ihg h ASP 151 Cb 1.30 0.57 -0.06 0.00 0.22 0.00 0.00 39.33 41.36 3ihg h ASP 151 CO 0.43 -0.30 0.64 -2.24 -1.72 0.00 0.00 179.24 176.06 3ihg h ASP 152 N -0.00 1.07 0.09 6.45 2.03 -2.00 -2.12 116.42 121.92 3ihg h ASP 152 Ca 0.42 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 3ihg h ASP 152 Cb 0.65 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 3ihg h ASP 152 CO -0.93 0.73 -0.15 0.00 -1.03 0.00 0.00 179.24 177.86 3ihg n ALA 153 N -2.38 2.86 -2.00 4.15 0.00 -0.39 -4.93 120.51 117.82 3ihg n ALA 153 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3ihg n ALA 153 Cb 0.10 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3ihg n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihg n GLY 154 N 1.28 1.85 3.92 0.00 0.00 -0.32 -4.89 105.19 107.03 3ihg n GLY 154 Ca 0.15 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3ihg n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg s ALA 155 N -1.41 3.31 0.00 4.61 0.00 -1.21 -4.85 121.76 122.21 3ihg s ALA 155 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3ihg s ALA 155 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3ihg s ALA 155 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3ihg n GLY 156 N -2.58 -1.28 2.85 0.00 0.00 -0.95 -4.84 105.19 98.38 3ihg n GLY 156 Ca 0.05 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 3ihg n GLY 156 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihg s VAL 157 N -2.95 -0.04 -0.18 1.61 1.01 0.17 -1.67 120.40 118.34 3ihg s VAL 157 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3ihg s VAL 157 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 3ihg s VAL 157 CO 0.00 0.06 -0.02 -0.89 0.00 0.00 0.00 175.10 174.26 3ihg s THR 158 N 0.87 3.91 0.01 3.92 2.01 -0.26 -0.85 115.64 125.24 3ihg s THR 158 Ca -0.07 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.64 3ihg s THR 158 Cb -0.10 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 3ihg s THR 158 CO -0.03 0.45 -0.12 0.00 -0.69 0.00 0.00 174.62 174.23 3ihg s ALA 159 N 0.78 2.80 -0.17 7.40 0.00 0.90 -1.21 121.76 132.25 3ihg s ALA 159 Ca -0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 3ihg s ALA 159 Cb -0.14 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 3ihg s ALA 159 CO 0.02 0.59 0.02 0.50 0.00 0.00 0.00 175.76 176.89 3ihg s ARG 160 N -1.30 3.85 0.12 0.00 6.06 0.85 -0.32 118.95 128.22 3ihg s ARG 160 Ca 0.15 -0.41 0.08 0.00 -2.50 0.00 0.00 55.73 53.05 3ihg s ARG 160 Cb -0.11 -3.10 -0.04 0.00 0.06 0.00 0.00 34.95 31.77 3ihg s ARG 160 CO 0.05 0.25 -0.20 -0.51 -2.50 0.00 0.00 175.30 172.40 3ihg s LEU 161 N 0.39 2.34 -0.44 -0.88 1.43 -0.08 0.41 118.68 121.85 3ihg s LEU 161 Ca 0.00 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 3ihg s LEU 161 Cb -0.13 -0.87 0.12 0.00 0.03 0.00 0.00 46.19 45.34 3ihg s LEU 161 CO 0.01 0.03 0.24 0.00 0.23 0.00 0.00 176.35 176.86 3ihg s ALA 162 N -1.45 3.22 0.19 4.21 0.00 0.48 -1.96 121.76 126.46 3ihg s ALA 162 Ca 0.09 -2.62 0.00 0.00 0.00 0.00 0.00 51.96 49.43 3ihg s ALA 162 Cb -0.09 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3ihg s ALA 162 CO 0.05 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.37 3ihg n GLY 163 N 4.49 1.37 0.13 0.00 0.00 -0.82 -1.00 105.19 109.36 3ihg n GLY 163 Ca -0.01 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 43.97 3ihg n GLY 163 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ihg h PRO 164 N 0.00 0.00 -0.73 1.61 0.11 -1.91 -2.52 132.00 128.55 3ihg h PRO 164 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ihg h PRO 164 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3ihg h PRO 164 CO 0.00 0.65 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3ihg n ASP 165 N -3.67 3.38 0.00 -2.05 8.00 -1.26 -5.03 116.55 115.92 3ihg n ASP 165 Ca -0.01 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 53.05 3ihg n ASP 165 Cb 0.66 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3ihg n ASP 165 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ihg n GLY 166 N 0.44 -1.08 3.80 0.44 0.00 -0.95 -5.02 105.19 102.82 3ihg n GLY 166 Ca 0.15 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 3ihg n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihg s GLU 167 N 0.00 4.42 0.20 1.61 2.02 -1.26 -1.94 118.70 123.75 3ihg s GLU 167 Ca 0.00 1.13 -0.18 0.00 0.02 0.00 0.00 54.97 55.94 3ihg s GLU 167 Cb 0.00 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.52 3ihg s GLU 167 CO 0.00 0.27 0.56 1.52 0.02 0.00 0.00 175.26 177.63 3ihg s TYR 168 N -1.67 -0.16 0.01 1.61 -0.85 -0.83 -4.99 117.35 110.48 3ihg s TYR 168 Ca 0.49 -0.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.87 3ihg s TYR 168 Cb -0.17 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 3ihg s TYR 168 CO 0.21 -0.96 0.06 -0.51 -1.52 0.00 0.00 175.55 172.84 3ihg s ASP 169 N -2.87 5.48 -0.04 -0.18 -0.00 -1.26 -0.90 116.67 116.90 3ihg s ASP 169 Ca 0.09 0.07 -0.00 0.00 -0.00 0.00 0.00 52.55 52.71 3ihg s ASP 169 Cb -0.02 -1.51 0.03 0.00 -0.00 0.00 0.00 42.92 41.42 3ihg s ASP 169 CO -0.02 0.26 0.01 -0.22 -0.00 0.00 0.00 175.17 175.19 3ihg s LEU 170 N -1.81 0.99 -0.24 1.23 2.96 0.57 -4.98 118.68 117.40 3ihg s LEU 170 Ca 0.23 -0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.93 3ihg s LEU 170 Cb -0.12 -0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 3ihg s LEU 170 CO 0.14 -0.13 0.53 -0.13 -1.32 0.00 0.00 176.35 175.45 3ihg s ARG 171 N 1.26 4.12 0.24 1.98 0.52 -1.26 -0.07 118.95 125.73 3ihg s ARG 171 Ca -0.06 0.38 0.11 0.00 -0.52 0.00 0.00 55.73 55.64 3ihg s ARG 171 Cb -0.13 -3.62 -0.05 0.00 0.52 0.00 0.00 34.95 31.67 3ihg s ARG 171 CO -0.02 -0.29 -0.17 0.00 0.02 0.00 0.00 175.30 174.84 3ihg s ALA 172 N 2.10 2.77 0.25 2.13 0.00 -0.03 -1.84 121.76 127.14 3ihg s ALA 172 Ca 0.23 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.48 3ihg s ALA 172 Cb -0.16 -0.40 0.29 0.00 0.00 0.00 0.00 23.12 22.86 3ihg s ALA 172 CO 0.09 0.34 1.60 0.78 0.00 0.00 0.00 175.76 178.57 3ihg h GLY 173 N 2.54 0.35 -3.61 0.00 0.00 -0.93 0.50 103.07 101.93 3ihg h GLY 173 Ca -0.43 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.42 3ihg h GLY 173 CO 0.56 0.35 -0.31 -0.19 0.00 0.00 0.00 176.54 176.94 3ihg s TYR 174 N -3.97 0.01 -0.08 5.60 2.02 -0.38 -4.51 117.35 116.04 3ihg s TYR 174 Ca -0.05 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3ihg s TYR 174 Cb 0.12 0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.73 3ihg s TYR 174 CO 0.80 -0.51 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.05 3ihg s LEU 175 N -2.36 1.15 -0.16 -1.29 0.20 -0.59 -0.77 118.68 114.87 3ihg s LEU 175 Ca -0.02 -0.20 -0.04 0.00 0.69 0.00 0.00 54.13 54.56 3ihg s LEU 175 Cb 0.01 -0.63 -0.03 0.00 -0.43 0.00 0.00 46.19 45.11 3ihg s LEU 175 CO -0.06 -0.09 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.19 3ihg s VAL 176 N 1.38 4.05 -0.60 1.68 1.01 0.12 -0.81 120.40 127.24 3ihg s VAL 176 Ca -0.03 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 3ihg s VAL 176 Cb -0.13 -2.79 0.15 0.00 0.00 0.00 0.00 36.38 33.61 3ihg s VAL 176 CO -0.03 0.49 0.56 -0.83 0.00 0.00 0.00 175.10 175.28 3ihg s GLY 177 N 0.36 2.20 -0.38 4.51 0.00 0.50 -1.73 107.32 112.77 3ihg s GLY 177 Ca -0.03 -2.69 0.06 0.00 0.00 0.00 0.00 44.72 42.06 3ihg s GLY 177 CO 0.02 1.22 1.61 0.00 0.00 0.00 0.00 173.10 175.95 3ihg n ALA 178 N 5.02 5.00 -0.62 3.20 0.00 -0.01 -2.02 120.51 131.09 3ihg n ALA 178 Ca -0.08 -3.24 -0.18 0.00 0.00 0.00 0.00 53.44 49.94 3ihg n ALA 178 Cb 0.41 -0.98 0.13 0.00 0.00 0.00 0.00 19.45 19.01 3ihg n ALA 178 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ihg n ASP 179 N -1.05 3.64 -0.04 0.00 5.75 -0.43 -4.28 116.55 120.14 3ihg n ASP 179 Ca 0.45 -3.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.06 3ihg n ASP 179 Cb 1.10 -0.75 -0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3ihg n ASP 179 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ihg n GLY 180 N -0.68 -2.22 0.32 6.12 0.00 -1.26 -4.31 105.19 103.16 3ihg n GLY 180 Ca 0.43 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.91 3ihg n GLY 180 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3ihg h ASN 181 N -0.03 0.93 -1.65 1.61 7.08 -1.92 -2.69 115.58 118.91 3ihg h ASN 181 Ca 0.00 -0.02 -0.77 0.00 -3.08 0.00 0.00 56.30 52.43 3ihg h ASN 181 Cb 0.03 -0.22 -0.19 0.00 -2.08 0.00 0.00 38.32 35.86 3ihg h ASN 181 CO 0.00 0.66 1.80 0.54 -2.08 0.00 0.00 177.43 178.36 3ihg n ARG 182 N -4.53 4.93 -2.31 4.14 1.74 -1.26 -4.81 116.66 114.55 3ihg n ARG 182 Ca 0.09 -3.99 -0.43 0.00 -0.77 0.00 0.00 57.85 52.75 3ihg n ARG 182 Cb 0.04 -2.57 -0.02 0.00 -1.02 0.00 0.00 32.46 28.88 3ihg n ARG 182 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ihg s SER 183 N -0.37 6.40 0.26 0.55 0.15 -1.02 -4.88 113.70 114.79 3ihg s SER 183 Ca 0.47 1.06 -0.01 0.00 0.70 0.00 0.00 55.95 58.17 3ihg s SER 183 Cb 0.18 -2.54 0.57 0.00 -1.71 0.00 0.00 66.02 62.52 3ihg s SER 183 CO -0.10 -1.34 1.71 0.25 1.20 0.00 0.00 173.24 174.96 3ihg h LEU 184 N 11.90 0.25 0.89 3.45 6.46 -1.87 -0.74 115.31 135.65 3ihg h LEU 184 Ca -0.28 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 3ihg h LEU 184 Cb 1.11 0.13 0.01 0.00 -0.73 0.00 0.00 40.66 41.18 3ihg h LEU 184 CO 1.06 0.04 -0.43 0.58 -0.62 0.00 0.00 178.44 179.07 3ihg h VAL 185 N 0.40 0.00 -0.60 1.05 2.07 -1.92 0.46 116.25 117.71 3ihg h VAL 185 Ca 0.47 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 68.10 3ihg h VAL 185 Cb 0.81 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 3ihg h VAL 185 CO -0.48 0.00 0.11 -0.09 0.02 0.00 0.00 177.57 177.13 3ihg h ARG 186 N -1.20 0.23 0.00 1.57 2.43 -1.85 -1.25 114.38 114.31 3ihg h ARG 186 Ca -0.12 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 3ihg h ARG 186 Cb 0.91 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3ihg h ARG 186 CO 0.20 0.15 -0.53 1.49 -1.51 0.00 0.00 179.97 179.77 3ihg h GLU 187 N 0.23 0.00 0.00 0.20 4.81 -1.06 -2.19 114.58 116.57 3ihg h GLU 187 Ca 0.31 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 3ihg h GLU 187 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3ihg h GLU 187 CO -0.42 0.53 -0.40 0.77 -0.73 0.00 0.00 179.01 178.76 3ihg h SER 188 N 0.00 0.00 0.16 1.04 0.02 0.28 -2.89 113.55 112.16 3ihg h SER 188 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3ihg h SER 188 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3ihg h SER 188 CO 0.07 0.40 -0.09 0.18 -1.14 0.00 0.00 176.83 176.25 3ihg n LEU 189 N -4.02 0.90 -3.10 5.07 4.77 -0.85 -4.95 117.00 114.82 3ihg n LEU 189 Ca -0.02 -0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 55.51 3ihg n LEU 189 Cb 0.44 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3ihg n LEU 189 CO 0.39 0.16 0.11 0.61 -1.33 0.00 0.00 177.39 177.33 3ihg n GLY 190 N 1.22 -0.44 3.69 -0.72 0.00 -1.07 -5.00 105.19 102.86 3ihg n GLY 190 Ca 0.17 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 3ihg n GLY 190 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihg s ILE 191 N -3.22 5.18 0.55 -0.61 1.01 -1.11 -5.07 121.20 117.94 3ihg s ILE 191 Ca 0.41 0.83 -0.03 0.00 0.00 0.00 0.00 60.65 61.86 3ihg s ILE 191 Cb -0.18 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.52 3ihg s ILE 191 CO 0.51 0.26 0.83 -0.83 0.00 0.00 0.00 174.94 175.71 3ihg s GLY 192 N 0.91 1.62 0.40 6.18 0.00 -1.26 -4.73 107.32 110.43 3ihg s GLY 192 Ca 0.22 -0.89 0.08 0.00 0.00 0.00 0.00 44.72 44.13 3ihg s GLY 192 CO 0.09 -0.63 0.34 0.50 0.00 0.00 0.00 173.10 173.39 3ihg s ARG 193 N -4.85 2.55 0.15 2.90 0.52 -1.26 -1.31 118.95 117.65 3ihg s ARG 193 Ca 0.53 -1.51 -0.04 0.00 -0.52 0.00 0.00 55.73 54.19 3ihg s ARG 193 Cb -0.10 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 3ihg s ARG 193 CO 0.42 -0.12 0.16 1.52 0.02 0.00 0.00 175.30 177.30 3ihg s TYR 194 N -2.44 0.72 -2.13 -0.53 -0.85 -0.58 -4.87 117.35 106.67 3ihg s TYR 194 Ca 0.46 -1.07 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 3ihg s TYR 194 Cb -0.03 -0.32 0.00 0.00 0.38 0.00 0.00 41.96 41.99 3ihg s TYR 194 CO 0.27 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 174.09 3ihg n GLY 195 N -0.17 0.60 0.31 5.49 0.00 -1.26 -0.85 105.19 109.31 3ihg n GLY 195 Ca -0.05 -2.14 0.14 0.00 0.00 0.00 0.00 46.02 43.97 3ihg n GLY 195 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ihg h HIS 196 N 0.00 0.00 -0.03 1.61 2.76 -2.00 -3.49 115.15 114.01 3ihg h HIS 196 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3ihg h HIS 196 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3ihg h HIS 196 CO 0.00 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.04 3ihg n GLY 197 N -1.43 -0.24 3.56 5.26 0.00 -0.60 -4.85 105.19 106.89 3ihg n GLY 197 Ca -0.01 -1.04 -0.51 0.00 0.00 0.00 0.00 46.02 44.47 3ihg n GLY 197 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ihg n THR 198 N 0.00 0.67 -0.08 2.61 -1.04 -1.26 -1.56 114.28 113.62 3ihg n THR 198 Ca 0.00 -0.17 -0.18 0.00 -2.04 0.00 0.00 64.05 61.66 3ihg n THR 198 Cb 0.00 -0.69 -0.06 0.00 -1.82 0.00 0.00 70.33 67.76 3ihg n THR 198 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3ihg n LEU 199 N 2.06 1.22 -3.62 -4.42 7.94 0.42 -4.87 117.00 115.73 3ihg n LEU 199 Ca 0.16 0.21 -0.04 0.00 -1.11 0.00 0.00 56.01 55.23 3ihg n LEU 199 Cb 0.22 -0.51 -0.02 0.00 0.53 0.00 0.00 43.42 43.64 3ihg n LEU 199 CO 0.61 0.33 0.82 0.28 -1.11 0.00 0.00 177.39 178.31 3ihg s THR 200 N -2.32 0.00 0.11 1.96 -1.32 -1.13 -5.02 115.64 107.92 3ihg s THR 200 Ca -0.24 -0.25 0.11 0.00 -1.21 0.00 0.00 61.69 60.10 3ihg s THR 200 Cb 0.09 -1.48 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 3ihg s THR 200 CO 0.30 0.00 -0.27 -1.00 -2.21 0.00 0.00 174.62 171.44 3ihg s HIS 201 N -2.94 2.32 0.10 9.09 3.76 -1.26 -0.81 115.29 125.56 3ihg s HIS 201 Ca 0.10 -0.38 -0.13 0.00 -0.15 0.00 0.00 55.06 54.49 3ihg s HIS 201 Cb -0.00 -1.28 0.02 0.00 1.11 0.00 0.00 32.58 32.42 3ihg s HIS 201 CO -0.04 0.29 0.31 1.41 -0.85 0.00 0.00 174.74 175.86 3ihg s MET 202 N -1.87 0.95 -0.09 1.40 0.00 -0.40 -1.78 119.30 117.51 3ihg s MET 202 Ca 0.14 -0.77 0.03 0.00 0.00 0.00 0.00 55.69 55.08 3ihg s MET 202 Cb -0.10 0.41 0.01 0.00 0.00 0.00 0.00 34.83 35.15 3ihg s MET 202 CO 0.05 -0.34 -0.17 0.08 0.00 0.00 0.00 175.02 174.64 3ihg s VAL 203 N -3.65 1.54 -0.09 10.11 1.01 -0.47 -0.84 120.40 128.02 3ihg s VAL 203 Ca 0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3ihg s VAL 203 Cb 0.03 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3ihg s VAL 203 CO -0.10 0.45 0.10 -0.83 0.00 0.00 0.00 175.10 174.71 3ihg s GLY 204 N 0.63 2.06 -0.12 4.51 0.00 0.17 -1.33 107.32 113.24 3ihg s GLY 204 Ca -0.14 -0.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 3ihg s GLY 204 CO 0.04 -0.50 0.02 0.14 0.00 0.00 0.00 173.10 172.80 3ihg s VAL 205 N -1.04 0.37 -0.16 1.40 1.01 0.53 -1.06 120.40 121.45 3ihg s VAL 205 Ca 0.17 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 3ihg s VAL 205 Cb -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3ihg s VAL 205 CO 0.06 0.05 0.42 -0.63 0.00 0.00 0.00 175.10 174.99 3ihg s ILE 206 N 1.95 5.21 0.12 2.22 1.01 -0.81 -0.75 121.20 130.15 3ihg s ILE 206 Ca 0.03 0.79 -0.04 0.00 0.00 0.00 0.00 60.65 61.42 3ihg s ILE 206 Cb -0.14 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 3ihg s ILE 206 CO -0.06 0.30 0.12 0.72 0.00 0.00 0.00 174.94 176.01 3ihg s PHE 207 N 0.92 0.56 -0.00 3.97 -0.12 -0.63 0.36 117.98 123.04 3ihg s PHE 207 Ca 0.21 -0.98 0.05 0.00 -0.05 0.00 0.00 56.93 56.17 3ihg s PHE 207 Cb -0.15 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 3ihg s PHE 207 CO 0.08 -0.55 -0.15 -0.51 -0.05 0.00 0.00 175.22 174.05 3ihg s ASP 208 N -2.97 4.03 -0.29 1.98 -0.00 0.48 -1.64 116.67 118.24 3ihg s ASP 208 Ca 0.16 -0.29 -0.23 0.00 -0.00 0.00 0.00 52.55 52.19 3ihg s ASP 208 Cb 0.06 -0.78 0.18 0.00 -0.00 0.00 0.00 42.92 42.37 3ihg s ASP 208 CO -0.03 0.30 1.30 0.00 -0.00 0.00 0.00 175.17 176.74 3ihg s ALA 209 N -0.86 -2.24 -0.58 5.23 0.00 -0.02 -0.78 121.76 122.51 3ihg s ALA 209 Ca 0.14 1.79 -0.28 0.00 0.00 0.00 0.00 51.96 53.61 3ihg s ALA 209 Cb -0.11 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.31 3ihg s ALA 209 CO 0.04 -0.17 1.23 0.34 0.00 0.00 0.00 175.76 177.19 3ihg s ASP 210 N 0.29 6.40 0.00 0.00 -1.08 -1.26 -4.59 116.67 116.43 3ihg s ASP 210 Ca 0.03 0.13 0.26 0.00 -0.52 0.00 0.00 52.55 52.45 3ihg s ASP 210 Cb -0.05 -2.55 0.86 0.00 -1.46 0.00 0.00 42.92 39.72 3ihg s ASP 210 CO -0.13 -1.52 1.63 0.18 0.52 0.00 0.00 175.17 175.85 3ihg n LEU 211 N 8.62 1.78 -0.44 -1.34 4.32 -1.26 -4.28 117.00 124.40 3ihg n LEU 211 Ca 0.09 -0.65 0.38 0.00 -0.02 0.00 0.00 56.01 55.82 3ihg n LEU 211 Cb 0.49 -0.04 0.72 0.00 -1.62 0.00 0.00 43.42 42.97 3ihg n LEU 211 CO 0.71 0.32 1.33 -1.28 -1.22 0.00 0.00 177.39 177.26 3ihg h SER 212 N 2.65 0.11 -0.03 -1.43 0.87 -1.88 0.38 113.55 114.23 3ihg h SER 212 Ca 0.00 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 3ihg h SER 212 Cb 0.57 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.56 3ihg h SER 212 CO 0.00 -0.02 -0.45 1.23 -0.53 0.00 0.00 176.83 177.06 3ihg h GLY 213 N 0.07 0.39 -1.66 5.77 0.00 -2.01 -3.39 103.07 102.24 3ihg h GLY 213 Ca 0.71 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3ihg h GLY 213 CO -0.13 0.56 0.00 0.29 0.00 0.00 0.00 176.54 177.26 3ihg n ILE 214 N -4.33 1.28 -4.43 2.60 -6.64 0.13 -4.87 119.36 103.09 3ihg n ILE 214 Ca -0.10 -1.16 -0.26 0.00 -1.77 0.00 0.00 62.75 59.47 3ihg n ILE 214 Cb 0.59 0.35 -0.17 0.00 -1.44 0.00 0.00 39.64 38.97 3ihg n ILE 214 CO 0.00 0.00 0.00 -0.32 -1.77 0.00 0.00 176.55 174.46 3ihg s MET 215 N -1.37 1.83 0.70 6.28 1.75 -0.73 -4.77 119.30 122.98 3ihg s MET 215 Ca 0.32 -0.43 -0.17 0.00 -1.25 0.00 0.00 55.69 54.16 3ihg s MET 215 Cb 0.19 -1.58 0.01 0.00 2.84 0.00 0.00 34.83 36.29 3ihg s MET 215 CO 0.18 -0.05 1.20 0.39 -0.65 0.00 0.00 175.02 176.09 3ihg n GLU 216 N 4.12 0.78 -1.01 4.11 1.02 -1.26 -4.82 120.64 123.59 3ihg n GLU 216 Ca -0.20 0.33 -0.34 0.00 -0.02 0.00 0.00 57.16 56.93 3ihg n GLU 216 Cb 0.51 -2.44 0.10 0.00 -0.02 0.00 0.00 31.44 29.59 3ihg n GLU 216 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3ihg n PRO 217 N -2.17 -0.01 -2.58 3.49 -0.02 -1.26 -3.13 135.00 129.31 3ihg n PRO 217 Ca 0.15 0.04 -0.19 0.00 -2.02 0.00 0.00 63.50 61.48 3ihg n PRO 217 Cb 0.49 -1.83 -0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3ihg n PRO 217 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihg n GLY 218 N 1.60 -0.50 0.22 -1.23 0.00 -1.26 -4.88 105.19 99.14 3ihg n GLY 218 Ca 0.08 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3ihg n GLY 218 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ihg n THR 219 N -3.93 1.81 -2.25 2.61 5.66 -1.18 -4.92 114.28 112.08 3ihg n THR 219 Ca -0.18 -1.99 -0.41 0.00 -3.05 0.00 0.00 64.05 58.41 3ihg n THR 219 Cb 0.65 -0.12 -0.03 0.00 -1.55 0.00 0.00 70.33 69.28 3ihg n THR 219 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3ihg s THR 220 N -2.56 3.18 -3.27 1.09 2.01 -1.26 -4.88 115.64 109.95 3ihg s THR 220 Ca 0.29 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.33 3ihg s THR 220 Cb 0.25 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 69.09 3ihg s THR 220 CO 0.04 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 3ihg n GLY 221 N 1.84 -1.18 3.68 4.40 0.00 -1.26 -1.38 105.19 111.30 3ihg n GLY 221 Ca 0.04 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 3ihg n GLY 221 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ihg s TRP 222 N -3.00 3.32 -0.13 1.61 -0.11 -0.19 -4.10 118.94 116.34 3ihg s TRP 222 Ca 0.00 0.19 0.02 0.00 1.22 0.00 0.00 56.10 57.53 3ihg s TRP 222 Cb 0.00 -2.11 0.01 0.00 -1.50 0.00 0.00 33.47 29.87 3ihg s TRP 222 CO 0.00 0.22 -0.21 0.71 -4.62 0.00 0.00 176.95 173.05 3ihg s TYR 223 N 0.34 2.57 -0.34 5.86 2.02 -0.21 -1.48 117.35 126.12 3ihg s TYR 223 Ca 0.05 -1.28 -0.20 0.00 -0.37 0.00 0.00 57.07 55.28 3ihg s TYR 223 Cb -0.12 -1.76 -0.00 0.00 -0.40 0.00 0.00 41.96 39.68 3ihg s TYR 223 CO -0.01 -0.59 0.60 0.71 -1.57 0.00 0.00 175.55 174.69 3ihg s TYR 224 N 0.82 3.17 -0.34 2.71 2.02 0.68 -1.11 117.35 125.31 3ihg s TYR 224 Ca -0.07 0.36 -0.16 0.00 -0.37 0.00 0.00 57.07 56.82 3ihg s TYR 224 Cb -0.16 -3.05 -0.01 0.00 -0.40 0.00 0.00 41.96 38.35 3ihg s TYR 224 CO -0.01 -0.57 0.41 -0.51 -1.57 0.00 0.00 175.55 173.30 3ihg s LEU 225 N 2.60 4.36 -0.70 -1.29 1.43 0.30 -1.54 118.68 123.85 3ihg s LEU 225 Ca 0.23 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3ihg s LEU 225 Cb -0.15 -2.43 0.18 0.00 0.03 0.00 0.00 46.19 43.82 3ihg s LEU 225 CO 0.14 -0.36 0.52 -1.00 0.23 0.00 0.00 176.35 175.88 3ihg s HIS 226 N 2.14 3.53 -0.03 0.29 3.76 -0.01 -2.05 115.29 122.92 3ihg s HIS 226 Ca 0.14 -2.90 -0.01 0.00 -0.15 0.00 0.00 55.06 52.15 3ihg s HIS 226 Cb -0.16 -3.14 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 3ihg s HIS 226 CO 0.12 -0.78 0.07 -1.58 -0.85 0.00 0.00 174.74 171.72 3ihg s HIS 227 N -0.57 3.27 0.22 1.40 5.04 -0.91 -4.14 115.29 119.60 3ihg s HIS 227 Ca 0.21 0.22 -0.13 0.00 -1.54 0.00 0.00 55.06 53.81 3ihg s HIS 227 Cb -0.16 -1.75 0.27 0.00 0.04 0.00 0.00 32.58 30.97 3ihg s HIS 227 CO -0.07 0.54 1.61 -1.35 -2.34 0.00 0.00 174.74 173.14 3ihg h PRO 228 N 4.35 -0.02 0.01 2.88 0.11 -1.98 -2.62 132.00 134.73 3ihg h PRO 228 Ca -0.50 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 3ihg h PRO 228 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3ihg h PRO 228 CO 0.60 -0.01 -0.87 0.93 -0.21 0.00 0.00 178.00 178.44 3ihg h GLU 229 N -0.02 0.07 -3.65 1.05 5.08 -1.97 -3.48 114.58 111.66 3ihg h GLU 229 Ca 0.33 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3ihg h GLU 229 Cb 0.52 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 3ihg h GLU 229 CO -0.73 0.90 -0.15 -0.59 -1.00 0.00 0.00 179.01 177.44 3ihg s PHE 230 N -3.10 0.28 -0.09 4.33 -0.12 -0.99 -5.15 117.98 113.14 3ihg s PHE 230 Ca -0.01 -0.63 0.04 0.00 -0.05 0.00 0.00 56.93 56.27 3ihg s PHE 230 Cb 0.11 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.64 3ihg s PHE 230 CO 0.81 -0.90 -0.21 0.21 -0.05 0.00 0.00 175.22 175.09 3ihg s LYS 231 N -3.97 2.89 0.00 1.99 2.20 -1.26 -2.15 119.74 119.44 3ihg s LYS 231 Ca 0.18 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 3ihg s LYS 231 Cb 0.00 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 3ihg s LYS 231 CO 0.04 0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.75 3ihg n GLY 232 N 3.19 1.08 3.32 5.54 0.00 -0.87 0.14 105.19 117.58 3ihg n GLY 232 Ca -0.18 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 3ihg n GLY 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ihg s THR 233 N -1.92 0.07 -0.18 2.61 -4.23 -0.77 0.11 115.64 111.32 3ihg s THR 233 Ca 0.00 -0.55 -0.12 0.00 -1.18 0.00 0.00 61.69 59.84 3ihg s THR 233 Cb 0.00 -1.10 0.06 0.00 1.34 0.00 0.00 72.50 72.80 3ihg s THR 233 CO 0.00 -0.30 0.46 0.12 -0.54 0.00 0.00 174.62 174.36 3ihg s PHE 234 N -3.34 -0.63 0.27 3.99 5.36 -0.27 -0.46 117.98 122.90 3ihg s PHE 234 Ca 0.00 1.37 0.02 0.00 -0.96 0.00 0.00 56.93 57.36 3ihg s PHE 234 Cb 0.01 0.28 -0.04 0.00 -0.34 0.00 0.00 43.02 42.93 3ihg s PHE 234 CO -0.09 -0.33 0.14 0.20 -1.46 0.00 0.00 175.22 173.68 3ihg s GLY 235 N 1.08 1.84 0.57 13.12 0.00 -0.67 -1.04 107.32 122.22 3ihg s GLY 235 Ca -0.07 -1.79 -0.03 0.00 0.00 0.00 0.00 44.72 42.83 3ihg s GLY 235 CO -0.10 -1.54 0.84 2.56 0.00 0.00 0.00 173.10 174.87 3ihg s PRO 236 N -3.93 2.78 0.11 2.90 0.04 -1.26 -1.88 135.00 133.75 3ihg s PRO 236 Ca 0.37 -0.28 0.01 0.00 0.04 0.00 0.00 61.00 61.14 3ihg s PRO 236 Cb 0.06 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 3ihg s PRO 236 CO 0.16 -0.69 0.03 0.25 0.04 0.00 0.00 177.00 176.79 3ihg n THR 237 N -2.48 0.00 1.33 1.26 -2.24 -1.04 -4.66 114.28 106.45 3ihg n THR 237 Ca 0.05 -0.62 0.14 0.00 -2.27 0.00 0.00 64.05 61.35 3ihg n THR 237 Cb 0.58 0.20 0.63 0.00 -2.10 0.00 0.00 70.33 69.65 3ihg n THR 237 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ihg n ASP 238 N -1.77 0.27 -4.69 3.42 5.68 -1.26 -4.61 116.55 113.59 3ihg n ASP 238 Ca -0.02 -0.28 -0.35 0.00 -0.50 0.00 0.00 54.79 53.64 3ihg n ASP 238 Cb 0.16 -0.17 -0.09 0.00 -1.14 0.00 0.00 41.12 39.88 3ihg n ASP 238 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3ihg s ARG 239 N -2.61 4.11 0.21 0.11 1.81 -1.26 -4.90 118.95 116.41 3ihg s ARG 239 Ca 0.25 -0.26 0.13 0.00 -1.72 0.00 0.00 55.73 54.14 3ihg s ARG 239 Cb 0.20 -3.40 0.71 0.00 -0.45 0.00 0.00 34.95 32.01 3ihg s ARG 239 CO 0.50 0.24 1.38 -0.35 -0.68 0.00 0.00 175.30 176.39 3ihg n PRO 240 N 3.69 0.08 -0.07 3.54 -0.04 -1.26 -2.04 135.00 138.91 3ihg n PRO 240 Ca -0.16 0.57 0.06 0.00 -0.04 0.00 0.00 63.50 63.94 3ihg n PRO 240 Cb 0.52 -1.82 0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3ihg n PRO 240 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ihg n ASP 241 N -1.96 2.41 -4.13 3.54 5.68 -1.26 -4.79 116.55 116.04 3ihg n ASP 241 Ca -0.01 -1.70 -0.29 0.00 -0.50 0.00 0.00 54.79 52.30 3ihg n ASP 241 Cb 0.06 -0.09 -0.17 0.00 -1.14 0.00 0.00 41.12 39.77 3ihg n ASP 241 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3ihg s ARG 242 N -1.03 2.45 0.09 0.11 3.52 -0.86 -0.84 118.95 122.38 3ihg s ARG 242 Ca 0.19 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 55.13 3ihg s ARG 242 Cb 0.12 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 3ihg s ARG 242 CO 0.16 0.10 -0.06 -1.01 -0.81 0.00 0.00 175.30 173.69 3ihg s HIS 243 N 0.52 0.84 0.20 5.12 3.76 -0.65 -2.50 115.29 122.57 3ihg s HIS 243 Ca -0.16 -0.94 0.09 0.00 -0.15 0.00 0.00 55.06 53.90 3ihg s HIS 243 Cb -0.17 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.98 3ihg s HIS 243 CO 0.06 -0.19 -0.07 0.95 -0.85 0.00 0.00 174.74 174.64 3ihg s THR 244 N -3.67 3.26 -0.13 1.30 -4.23 -0.79 -1.61 115.64 109.77 3ihg s THR 244 Ca 0.11 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 58.83 3ihg s THR 244 Cb 0.06 -2.65 0.05 0.00 1.34 0.00 0.00 72.50 71.30 3ihg s THR 244 CO -0.05 -0.18 0.30 -0.22 -0.54 0.00 0.00 174.62 173.93 3ihg s LEU 245 N -3.06 0.18 -0.03 4.79 2.96 0.07 -1.67 118.68 121.93 3ihg s LEU 245 Ca 0.27 0.65 0.06 0.00 -0.22 0.00 0.00 54.13 54.90 3ihg s LEU 245 Cb -0.08 0.93 -0.02 0.00 0.50 0.00 0.00 46.19 47.52 3ihg s LEU 245 CO 0.16 -0.18 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.43 3ihg s PHE 246 N 1.41 2.45 -0.08 5.38 0.08 0.39 -0.35 117.98 127.26 3ihg s PHE 246 Ca -0.09 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.56 3ihg s PHE 246 Cb -0.10 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 3ihg s PHE 246 CO -0.10 -0.00 -0.04 0.08 -0.10 0.00 0.00 175.22 175.06 3ihg s VAL 247 N -0.57 0.66 0.66 -0.44 1.01 -0.44 -1.84 120.40 119.43 3ihg s VAL 247 Ca 0.08 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 3ihg s VAL 247 Cb -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.54 3ihg s VAL 247 CO 0.00 0.30 1.16 -0.70 0.00 0.00 0.00 175.10 175.85 3ihg s GLU 248 N 1.65 2.68 -0.10 2.72 2.12 0.36 -1.37 118.70 126.76 3ihg s GLU 248 Ca 0.01 1.60 -0.28 0.00 0.36 0.00 0.00 54.97 56.67 3ihg s GLU 248 Cb -0.13 -1.92 0.06 0.00 0.26 0.00 0.00 34.13 32.41 3ihg s GLU 248 CO -0.05 -1.39 0.65 1.52 -0.54 0.00 0.00 175.26 175.45 3ihg s TYR 249 N -2.05 -0.64 -0.29 5.30 -0.85 -0.73 -4.59 117.35 113.50 3ihg s TYR 249 Ca 0.71 1.23 -0.12 0.00 -0.52 0.00 0.00 57.07 58.38 3ihg s TYR 249 Cb -0.25 0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 3ihg s TYR 249 CO 0.40 -0.53 0.22 0.34 -1.52 0.00 0.00 175.55 174.46 3ihg s ASP 250 N -0.80 6.05 0.26 -0.18 2.15 -1.26 -4.10 116.67 118.78 3ihg s ASP 250 Ca -0.08 -0.03 0.12 0.00 0.43 0.00 0.00 52.55 52.99 3ihg s ASP 250 Cb -0.02 -2.13 0.21 0.00 -0.30 0.00 0.00 42.92 40.68 3ihg s ASP 250 CO 0.07 -0.09 1.51 -0.65 -0.17 0.00 0.00 175.17 175.84 3ihg h PRO 251 N 8.36 0.00 0.00 4.34 0.11 -1.95 -1.48 132.00 141.39 3ihg h PRO 251 Ca -0.34 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 3ihg h PRO 251 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3ihg h PRO 251 CO 0.57 0.64 -0.24 -0.44 -0.21 0.00 0.00 178.00 178.32 3ihg h ASP 252 N 0.00 0.00 -0.05 -2.05 3.32 -1.93 0.08 116.42 115.80 3ihg h ASP 252 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ihg h ASP 252 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3ihg h ASP 252 CO 0.08 0.24 0.00 1.21 -1.72 0.00 0.00 179.24 179.06 3ihg n GLU 253 N -3.34 1.28 -0.10 3.56 4.07 -1.24 -4.94 120.64 119.92 3ihg n GLU 253 Ca 0.01 -0.41 0.00 0.00 -0.06 0.00 0.00 57.16 56.69 3ihg n GLU 253 Cb 0.47 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 3ihg n GLU 253 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ihg n GLY 254 N 0.97 0.58 3.82 8.31 0.00 0.02 -5.05 105.19 113.83 3ihg n GLY 254 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3ihg n GLY 254 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihg s GLU 255 N -0.90 4.26 0.08 1.61 2.02 -0.56 -4.99 118.70 120.22 3ihg s GLU 255 Ca 0.00 0.98 -0.00 0.00 0.02 0.00 0.00 54.97 55.97 3ihg s GLU 255 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 3ihg s GLU 255 CO 0.00 0.21 -0.03 1.03 0.02 0.00 0.00 175.26 176.50 3ihg s ARG 256 N -2.52 0.72 0.34 1.61 1.81 -1.26 -4.00 118.95 115.65 3ihg s ARG 256 Ca 0.52 -1.29 0.01 0.00 -1.72 0.00 0.00 55.73 53.26 3ihg s ARG 256 Cb -0.14 0.10 0.60 0.00 -0.45 0.00 0.00 34.95 35.07 3ihg s ARG 256 CO 0.19 -0.11 2.00 -1.35 -0.68 0.00 0.00 175.30 175.35 3ihg h PRO 257 N 3.05 0.88 -0.48 3.54 0.11 -1.98 -2.33 132.00 134.79 3ihg h PRO 257 Ca -0.35 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 65.85 3ihg h PRO 257 Cb 1.16 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3ihg h PRO 257 CO 0.65 0.58 0.55 1.05 -0.21 0.00 0.00 178.00 180.62 3ihg h GLU 258 N 0.91 0.00 0.00 1.05 9.09 -2.00 -0.81 114.58 122.81 3ihg h GLU 258 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 3ihg h GLU 258 Cb -0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.00 3ihg h GLU 258 CO -0.05 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.57 3ihg h ASP 259 N 0.00 0.00 -1.65 3.06 3.32 -1.84 -3.35 116.42 115.97 3ihg h ASP 259 Ca 0.23 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.54 3ihg h ASP 259 Cb 1.33 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.73 3ihg h ASP 259 CO -0.00 0.00 1.79 0.49 -1.72 0.00 0.00 179.24 179.79 3ihg n PHE 260 N -2.81 3.89 -1.32 4.55 3.01 -0.31 -4.76 117.46 119.71 3ihg n PHE 260 Ca 0.02 -3.04 -0.31 0.00 1.01 0.00 0.00 57.45 55.14 3ihg n PHE 260 Cb 0.35 -2.10 0.10 0.00 -0.01 0.00 0.00 39.48 37.82 3ihg n PHE 260 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3ihg s THR 261 N 1.12 3.25 0.57 4.37 -4.23 -1.26 -4.82 115.64 114.64 3ihg s THR 261 Ca 0.42 0.41 0.36 0.00 -1.18 0.00 0.00 61.69 61.69 3ihg s THR 261 Cb 0.04 -2.95 0.52 0.00 1.34 0.00 0.00 72.50 71.45 3ihg s THR 261 CO 0.00 -0.53 1.70 -0.65 -0.54 0.00 0.00 174.62 174.60 3ihg h PRO 262 N -1.16 0.00 0.18 3.99 0.11 -1.96 -0.76 132.00 132.40 3ihg h PRO 262 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3ihg h PRO 262 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ihg h PRO 262 CO 0.54 0.00 -0.09 1.96 -0.21 0.00 0.00 178.00 180.20 3ihg h GLN 263 N 0.00 -0.23 -0.89 1.05 1.08 -1.95 -0.50 115.11 113.67 3ihg h GLN 263 Ca 0.54 0.02 0.24 0.00 -1.45 0.00 0.00 58.65 58.00 3ihg h GLN 263 Cb 2.40 0.05 -0.15 0.00 -0.05 0.00 0.00 27.48 29.74 3ihg h GLN 263 CO -0.01 -0.16 0.21 -0.09 -0.95 0.00 0.00 178.83 177.83 3ihg h ARG 264 N -0.45 0.17 0.21 1.46 9.65 -1.75 0.10 114.38 123.77 3ihg h ARG 264 Ca -0.02 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3ihg h ARG 264 Cb 0.19 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 3ihg h ARG 264 CO 0.04 0.11 -0.10 0.00 2.80 0.00 0.00 179.97 182.82 3ihg h VAL 266 N -0.42 1.14 0.60 0.00 2.07 -0.36 -0.85 116.25 118.43 3ihg h VAL 266 Ca -0.03 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3ihg h VAL 266 Cb 0.32 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3ihg h VAL 266 CO 0.05 0.16 -0.29 -0.08 0.02 0.00 0.00 177.57 177.43 3ihg h GLU 267 N 0.49 -0.78 -0.90 1.57 4.81 0.44 -0.73 114.58 119.48 3ihg h GLU 267 Ca 0.12 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.55 3ihg h GLU 267 Cb 0.10 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 3ihg h GLU 267 CO -0.01 -0.47 0.58 -0.07 -0.73 0.00 0.00 179.01 178.31 3ihg h LEU 268 N -1.00 0.66 -0.82 1.64 3.38 0.28 0.17 115.31 119.63 3ihg h LEU 268 Ca -0.08 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3ihg h LEU 268 Cb 0.67 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3ihg h LEU 268 CO 0.14 0.33 0.25 0.40 0.09 0.00 0.00 178.44 179.64 3ihg h ILE 269 N 0.70 1.26 -0.53 1.22 2.04 -1.00 0.31 117.51 121.50 3ihg h ILE 269 Ca 0.46 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3ihg h ILE 269 Cb 0.74 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3ihg h ILE 269 CO -0.22 0.34 0.18 1.23 0.00 0.00 0.00 178.15 179.69 3ihg h GLY 270 N 1.12 0.88 0.76 5.37 0.00 0.50 -2.12 103.07 109.57 3ihg h GLY 270 Ca 0.24 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3ihg h GLY 270 CO -0.01 0.48 0.00 1.41 0.00 0.00 0.00 176.54 178.42 3ihg h LEU 271 N 0.73 0.15 -1.68 3.11 3.38 -0.71 0.13 115.31 120.41 3ihg h LEU 271 Ca 0.17 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3ihg h LEU 271 Cb 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ihg h LEU 271 CO -0.01 0.41 0.01 0.00 0.09 0.00 0.00 178.44 178.95 3ihg h ALA 272 N 0.75 1.75 0.00 1.53 0.00 -0.32 -2.68 119.26 120.28 3ihg h ALA 272 Ca 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3ihg h ALA 272 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ihg h ALA 272 CO 0.00 0.20 -1.34 1.28 0.00 0.00 0.00 179.25 179.39 3ihg n LEU 273 N -4.42 0.64 -3.70 0.00 4.77 -0.81 -0.21 117.00 113.27 3ihg n LEU 273 Ca -0.01 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 3ihg n LEU 273 Cb 0.15 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 3ihg n LEU 273 CO 0.36 -0.07 0.07 -0.67 -1.33 0.00 0.00 177.39 175.75 3ihg n ASP 274 N -2.62 -3.27 -3.48 -1.43 -0.08 0.42 -4.11 116.55 101.97 3ihg n ASP 274 Ca -0.04 -0.72 -0.09 0.00 -1.51 0.00 0.00 54.79 52.43 3ihg n ASP 274 Cb 0.62 -4.37 -0.09 0.00 2.34 0.00 0.00 41.12 39.62 3ihg n ASP 274 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ihg s ALA 275 N -3.45 -1.08 -1.98 -1.67 0.00 -1.09 -5.02 121.76 107.47 3ihg s ALA 275 Ca 0.29 1.13 0.18 0.00 0.00 0.00 0.00 51.96 53.57 3ihg s ALA 275 Cb -0.14 -1.50 0.53 0.00 0.00 0.00 0.00 23.12 22.01 3ihg s ALA 275 CO 0.79 -1.03 1.44 -2.30 0.00 0.00 0.00 175.76 174.66 3ihg n PRO 276 N 5.37 2.41 0.00 0.00 -0.02 -1.26 -3.99 135.00 137.51 3ihg n PRO 276 Ca -0.06 -2.17 0.05 0.00 -2.02 0.00 0.00 63.50 59.31 3ihg n PRO 276 Cb 0.50 -1.47 0.28 0.00 -0.02 0.00 0.00 33.50 32.78 3ihg n PRO 276 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ihg n GLU 277 N 1.25 0.16 -2.64 -0.52 2.13 -1.26 -4.83 120.64 114.93 3ihg n GLU 277 Ca 0.20 0.17 -0.43 0.00 0.66 0.00 0.00 57.16 57.76 3ihg n GLU 277 Cb 0.51 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.70 3ihg n GLU 277 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3ihg s VAL 278 N -2.54 4.60 -0.37 6.31 -7.23 -1.26 -4.99 120.40 114.92 3ihg s VAL 278 Ca 0.11 1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 62.15 3ihg s VAL 278 Cb 0.07 -4.32 0.09 0.00 0.56 0.00 0.00 36.38 32.78 3ihg s VAL 278 CO 0.16 -0.28 0.13 -0.54 -0.31 0.00 0.00 175.10 174.27 3ihg s LYS 279 N 3.37 2.16 0.59 4.82 1.02 -1.26 -4.97 119.74 125.46 3ihg s LYS 279 Ca 0.45 -1.61 -0.08 0.00 0.02 0.00 0.00 55.97 54.75 3ihg s LYS 279 Cb -0.14 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 3ihg s LYS 279 CO 0.10 -0.90 0.94 -1.25 -0.92 0.00 0.00 175.35 173.31 3ihg s PRO 280 N 1.19 3.34 -0.23 -1.68 0.04 -1.26 -4.81 135.00 131.58 3ihg s PRO 280 Ca 0.04 0.40 -0.01 0.00 0.04 0.00 0.00 61.00 61.47 3ihg s PRO 280 Cb -0.21 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.16 3ihg s PRO 280 CO -0.03 -0.56 -0.10 -1.21 0.04 0.00 0.00 177.00 175.15 3ihg s GLU 281 N -5.04 2.81 -0.12 4.56 0.41 0.04 -4.92 118.70 116.44 3ihg s GLU 281 Ca 0.53 -0.98 -0.29 0.00 -0.41 0.00 0.00 54.97 53.81 3ihg s GLU 281 Cb -0.11 -2.89 -0.01 0.00 -1.78 0.00 0.00 34.13 29.34 3ihg s GLU 281 CO 0.49 -0.37 1.11 -0.51 -0.49 0.00 0.00 175.26 175.49 3ihg s LEU 282 N 1.29 4.22 -0.18 1.80 1.43 -1.26 -0.39 118.68 125.59 3ihg s LEU 282 Ca 0.00 1.61 -0.22 0.00 -1.03 0.00 0.00 54.13 54.50 3ihg s LEU 282 Cb -0.16 -3.55 -0.19 0.00 0.03 0.00 0.00 46.19 42.32 3ihg s LEU 282 CO -0.06 -0.58 0.32 0.58 0.23 0.00 0.00 176.35 176.84 3ihg h VAL 283 N 5.19 1.04 -2.69 -1.59 2.07 -0.44 -3.49 116.25 116.35 3ihg h VAL 283 Ca -0.29 -2.08 -0.12 0.00 0.82 0.00 0.00 66.70 65.03 3ihg h VAL 283 Cb 1.13 2.27 -0.24 0.00 -1.52 0.00 0.00 31.29 32.93 3ihg h VAL 283 CO 0.90 0.35 -0.22 -0.62 0.02 0.00 0.00 177.57 178.00 3ihg s ASP 284 N -6.54 -0.46 -0.26 0.57 2.15 -1.05 -4.99 116.67 106.08 3ihg s ASP 284 Ca -0.24 0.87 0.01 0.00 0.43 0.00 0.00 52.55 53.62 3ihg s ASP 284 Cb 0.03 0.86 0.07 0.00 -0.30 0.00 0.00 42.92 43.58 3ihg s ASP 284 CO 0.57 -0.15 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.75 3ihg s ILE 285 N 0.37 1.70 -0.04 4.11 1.01 -1.26 -1.93 121.20 125.16 3ihg s ILE 285 Ca -0.01 -1.49 0.03 0.00 0.00 0.00 0.00 60.65 59.18 3ihg s ILE 285 Cb -0.04 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.43 3ihg s ILE 285 CO -0.01 -0.22 -0.12 -1.58 0.00 0.00 0.00 174.94 173.01 3ihg s GLN 286 N 1.29 1.39 0.33 2.79 2.00 -0.23 -4.96 119.66 122.27 3ihg s GLN 286 Ca -0.02 -0.40 -0.21 0.00 -2.00 0.00 0.00 55.36 52.72 3ihg s GLN 286 Cb -0.19 -1.21 -0.10 0.00 0.80 0.00 0.00 33.01 32.31 3ihg s GLN 286 CO -0.08 0.11 0.86 0.20 -0.50 0.00 0.00 175.29 175.88 3ihg s GLY 287 N 0.34 2.56 -0.04 2.59 0.00 -1.26 0.44 107.32 111.95 3ihg s GLY 287 Ca -0.07 0.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.95 3ihg s GLY 287 CO 0.02 0.66 0.08 0.86 0.00 0.00 0.00 173.10 174.71 3ihg s TRP 288 N -1.82 -0.06 -0.28 1.90 -0.11 -0.02 -4.93 118.94 113.62 3ihg s TRP 288 Ca 0.53 0.27 -0.11 0.00 1.22 0.00 0.00 56.10 58.01 3ihg s TRP 288 Cb -0.14 -0.14 -0.05 0.00 -1.50 0.00 0.00 33.47 31.65 3ihg s TRP 288 CO 0.19 -0.11 0.18 -2.00 -4.62 0.00 0.00 176.95 170.59 3ihg s GLU 289 N 0.95 3.92 0.12 5.86 2.12 -1.26 -1.28 118.70 129.13 3ihg s GLU 289 Ca -0.08 -0.34 -0.13 0.00 0.36 0.00 0.00 54.97 54.79 3ihg s GLU 289 Cb -0.10 -3.63 -0.07 0.00 0.26 0.00 0.00 34.13 30.59 3ihg s GLU 289 CO -0.04 -0.18 0.50 -1.64 -0.54 0.00 0.00 175.26 173.36 3ihg s MET 290 N 1.75 3.92 0.31 4.30 -1.94 0.01 -5.00 119.30 122.65 3ihg s MET 290 Ca 0.07 0.40 -0.10 0.00 -1.71 0.00 0.00 55.69 54.35 3ihg s MET 290 Cb -0.16 -2.97 0.01 0.00 2.01 0.00 0.00 34.83 33.72 3ihg s MET 290 CO 0.10 0.51 0.55 0.00 -0.01 0.00 0.00 175.02 176.18 3ihg s ALA 291 N -1.42 -0.00 -0.20 3.03 0.00 -1.26 -0.44 121.76 121.47 3ihg s ALA 291 Ca 0.36 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 3ihg s ALA 291 Cb -0.15 1.01 0.05 0.00 0.00 0.00 0.00 23.12 24.03 3ihg s ALA 291 CO 0.19 -0.87 -0.02 0.00 0.00 0.00 0.00 175.76 175.06 3ihg s ALA 292 N -3.28 1.45 -0.05 0.00 0.00 -0.60 -2.50 121.76 116.78 3ihg s ALA 292 Ca 0.24 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 3ihg s ALA 292 Cb -0.02 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.90 3ihg s ALA 292 CO 0.14 -1.04 0.11 1.03 0.00 0.00 0.00 175.76 176.00 3ihg s ARG 293 N 1.64 0.07 -0.12 0.00 0.52 -0.25 -1.56 118.95 119.26 3ihg s ARG 293 Ca -0.02 0.29 0.03 0.00 -0.52 0.00 0.00 55.73 55.51 3ihg s ARG 293 Cb -0.17 -0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.16 3ihg s ARG 293 CO -0.07 -0.14 -0.20 0.42 0.02 0.00 0.00 175.30 175.33 3ihg s ILE 294 N 0.93 1.86 0.31 1.52 1.01 -0.03 -0.62 121.20 126.18 3ihg s ILE 294 Ca -0.07 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 3ihg s ILE 294 Cb -0.10 -1.64 -0.12 0.00 0.01 0.00 0.00 42.46 40.61 3ihg s ILE 294 CO -0.04 0.51 1.40 0.00 0.00 0.00 0.00 174.94 176.81 3ihg n ALA 295 N 3.94 1.59 0.93 9.38 0.00 0.42 -1.52 120.51 135.25 3ihg n ALA 295 Ca -0.20 0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.74 3ihg n ALA 295 Cb 0.52 -2.32 0.57 0.00 0.00 0.00 0.00 19.45 18.22 3ihg n ALA 295 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ihg n GLU 296 N 1.25 0.04 -3.84 0.00 1.02 -0.43 -4.71 120.64 113.97 3ihg n GLU 296 Ca 0.07 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 3ihg n GLU 296 Cb 0.35 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 3ihg n GLU 296 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ihg s ARG 297 N -2.96 0.35 -0.06 3.49 0.52 -1.26 -5.05 118.95 113.98 3ihg s ARG 297 Ca 0.14 -0.09 0.11 0.00 -0.52 0.00 0.00 55.73 55.37 3ihg s ARG 297 Cb 0.17 0.15 0.31 0.00 0.52 0.00 0.00 34.95 36.11 3ihg s ARG 297 CO 0.47 -0.07 1.25 0.91 0.02 0.00 0.00 175.30 177.87 3ihg n TRP 298 N 2.18 0.47 -3.61 -0.53 7.02 -1.26 -4.86 117.44 116.85 3ihg n TRP 298 Ca -0.18 -0.66 0.01 0.00 -1.02 0.00 0.00 57.50 55.65 3ihg n TRP 298 Cb 0.57 -0.13 -0.06 0.00 -2.42 0.00 0.00 31.31 29.27 3ihg n TRP 298 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3ihg s ARG 299 N -1.72 0.18 -0.21 -0.99 3.52 -1.26 -1.98 118.95 116.48 3ihg s ARG 299 Ca 0.25 0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 56.16 3ihg s ARG 299 Cb 0.18 0.05 0.06 0.00 -1.56 0.00 0.00 34.95 33.68 3ihg s ARG 299 CO 0.10 -0.04 -0.00 -2.00 -0.81 0.00 0.00 175.30 172.55 3ihg s GLU 300 N 1.27 1.07 3.95 5.12 2.12 -0.54 -5.01 118.70 126.68 3ihg s GLU 300 Ca -0.08 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.56 3ihg s GLU 300 Cb -0.03 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 32.04 3ihg s GLU 300 CO -0.12 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 3ihg n GLY 301 N 4.88 0.64 0.00 -1.50 0.00 -1.26 -1.22 105.19 106.73 3ihg n GLY 301 Ca -0.10 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3ihg n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihg n ARG 302 N 0.00 2.24 -4.04 1.61 1.74 -1.26 -4.98 116.66 111.97 3ihg n ARG 302 Ca 0.00 -1.29 -0.36 0.00 -0.77 0.00 0.00 57.85 55.43 3ihg n ARG 302 Cb 0.00 -0.97 -0.08 0.00 -1.02 0.00 0.00 32.46 30.40 3ihg n ARG 302 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ihg s VAL 303 N -0.79 5.03 0.06 1.55 1.01 -0.36 -1.54 120.40 125.36 3ihg s VAL 303 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3ihg s VAL 303 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3ihg s VAL 303 CO 0.00 0.58 -0.15 -0.36 0.00 0.00 0.00 175.10 175.17 3ihg s PHE 304 N -0.70 1.30 0.16 5.22 0.08 0.01 -1.47 117.98 122.58 3ihg s PHE 304 Ca 0.12 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.82 3ihg s PHE 304 Cb -0.12 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 3ihg s PHE 304 CO 0.03 0.06 0.11 -0.51 -0.10 0.00 0.00 175.22 174.80 3ihg s LEU 305 N -1.46 3.72 -0.03 -0.37 1.43 -0.84 0.19 118.68 121.32 3ihg s LEU 305 Ca 0.01 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 3ihg s LEU 305 Cb -0.09 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.83 3ihg s LEU 305 CO 0.02 0.08 0.48 0.00 0.23 0.00 0.00 176.35 177.16 3ihg s ALA 306 N -1.71 -1.24 0.00 4.21 0.00 -0.85 -4.83 121.76 117.34 3ihg s ALA 306 Ca 0.30 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3ihg s ALA 306 Cb -0.10 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3ihg s ALA 306 CO 0.22 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3ihg n GLY 307 N 1.12 0.23 0.35 0.00 0.00 -1.26 -3.31 105.19 102.32 3ihg n GLY 307 Ca -0.20 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 44.99 3ihg n GLY 307 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ihg h ASP 308 N 8.60 0.26 -0.46 1.61 5.19 -1.88 -1.13 116.42 128.60 3ihg h ASP 308 Ca 0.00 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.45 3ihg h ASP 308 Cb 0.00 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 3ihg h ASP 308 CO 0.00 0.16 0.31 0.00 -3.12 0.00 0.00 179.24 176.59 3ihg h ALA 309 N 1.74 1.80 0.00 3.45 0.00 -1.53 -2.62 119.26 122.10 3ihg h ALA 309 Ca 0.24 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3ihg h ALA 309 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ihg h ALA 309 CO -0.05 0.14 -1.47 0.00 0.00 0.00 0.00 179.25 177.88 3ihg n ALA 310 N -2.49 2.27 -3.64 0.00 0.00 -0.65 -4.68 120.51 111.32 3ihg n ALA 310 Ca 0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.98 3ihg n ALA 310 Cb 0.15 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 3ihg n ALA 310 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3ihg s LYS 311 N -3.16 0.36 -0.14 0.00 0.00 -0.52 -0.44 119.74 115.85 3ihg s LYS 311 Ca -0.04 0.62 -0.02 0.00 0.00 0.00 0.00 55.97 56.53 3ihg s LYS 311 Cb 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 37.83 37.98 3ihg s LYS 311 CO 0.82 -0.08 -0.06 0.08 0.00 0.00 0.00 175.35 176.12 3ihg s VAL 312 N 1.31 3.67 0.28 1.79 1.01 0.20 -3.71 120.40 124.95 3ihg s VAL 312 Ca -0.09 -0.45 0.12 0.00 0.00 0.00 0.00 61.98 61.57 3ihg s VAL 312 Cb -0.04 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3ihg s VAL 312 CO -0.14 0.52 -0.19 0.28 0.00 0.00 0.00 175.10 175.56 3ihg s THR 313 N 0.19 2.49 0.59 3.92 -1.32 -1.25 -1.09 115.64 119.17 3ihg s THR 313 Ca -0.03 -2.39 -0.19 0.00 -1.21 0.00 0.00 61.69 57.87 3ihg s THR 313 Cb -0.14 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 3ihg s THR 313 CO 0.03 -0.39 1.21 -2.84 -2.21 0.00 0.00 174.62 170.42 3ihg s PRO 314 N -3.52 2.96 0.22 7.08 0.02 -1.04 -4.65 135.00 136.07 3ihg s PRO 314 Ca 0.30 1.84 0.19 0.00 0.02 0.00 0.00 61.00 63.35 3ihg s PRO 314 Cb -0.05 -1.93 0.88 0.00 0.02 0.00 0.00 34.50 33.43 3ihg s PRO 314 CO 0.15 -1.22 1.57 -0.35 -0.33 0.00 0.00 177.00 176.83 3ihg n PRO 315 N -1.59 0.13 -1.69 5.54 -0.04 -1.26 -4.77 135.00 131.31 3ihg n PRO 315 Ca 0.14 0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 63.66 3ihg n PRO 315 Cb 0.49 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 3ihg n PRO 315 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3ihg n THR 316 N -2.06 0.32 -0.01 0.52 -2.24 -1.26 -1.64 114.28 107.91 3ihg n THR 316 Ca 0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3ihg n THR 316 Cb 0.12 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.25 3ihg n THR 316 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihg n GLY 317 N 4.19 0.89 3.67 3.38 0.00 -1.26 -4.48 105.19 111.58 3ihg n GLY 317 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3ihg n GLY 317 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihg n GLY 318 N -2.01 -0.61 0.00 -0.02 0.00 -0.65 -4.91 105.19 96.99 3ihg n GLY 318 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3ihg n GLY 318 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ihg n MET 319 N -4.13 3.02 0.03 1.61 2.81 -1.26 -4.68 117.12 114.51 3ihg n MET 319 Ca -0.21 -0.25 -0.11 0.00 -1.81 0.00 0.00 57.70 55.32 3ihg n MET 319 Cb 0.64 -0.75 -0.06 0.00 -0.71 0.00 0.00 33.22 32.34 3ihg n MET 319 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3ihg h SER 320 N 0.01 -0.03 0.21 7.83 0.02 -1.86 -0.61 113.55 119.13 3ihg h SER 320 Ca 0.00 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.72 3ihg h SER 320 Cb 0.00 0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.57 3ihg h SER 320 CO 0.00 -0.01 -0.98 1.23 -1.14 0.00 0.00 176.83 175.93 3ihg h GLY 321 N -0.00 0.58 1.35 -3.77 0.00 -1.92 -3.21 103.07 96.11 3ihg h GLY 321 Ca 0.01 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.30 3ihg h GLY 321 CO -0.03 0.90 0.28 3.43 0.00 0.00 0.00 176.54 181.12 3ihg h ASN 322 N 0.29 0.76 -0.36 0.19 2.35 -1.79 -2.08 115.58 114.94 3ihg h ASN 322 Ca -0.10 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.47 3ihg h ASN 322 Cb 1.62 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.79 3ihg h ASN 322 CO 0.18 0.65 -0.19 0.00 -1.65 0.00 0.00 177.43 176.41 3ihg h ALA 323 N 1.47 0.51 -0.60 -0.83 0.00 -1.14 -2.41 119.26 116.26 3ihg h ALA 323 Ca 0.21 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ihg h ALA 323 Cb 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ihg h ALA 323 CO -0.03 0.46 0.38 0.00 0.00 0.00 0.00 179.25 180.07 3ihg h ALA 324 N 0.79 0.77 -0.37 0.00 0.00 -1.52 0.20 119.26 119.13 3ihg h ALA 324 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ihg h ALA 324 Cb 0.74 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ihg h ALA 324 CO 0.06 0.15 0.24 0.28 0.00 0.00 0.00 179.25 179.97 3ihg h VAL 325 N 0.77 1.11 -0.49 0.00 2.07 -1.36 -0.63 116.25 117.71 3ihg h VAL 325 Ca 0.23 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.41 3ihg h VAL 325 Cb -0.03 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3ihg h VAL 325 CO -0.08 0.10 -0.21 0.00 0.02 0.00 0.00 177.57 177.41 3ihg h ALA 326 N 1.12 0.69 -0.96 1.67 0.00 -0.98 -1.16 119.26 119.64 3ihg h ALA 326 Ca 0.14 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.73 3ihg h ALA 326 Cb -0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 3ihg h ALA 326 CO -0.03 0.68 0.61 -0.44 0.00 0.00 0.00 179.25 180.07 3ihg h ASP 327 N 0.87 0.96 -0.61 0.00 3.32 -0.22 -1.59 116.42 119.16 3ihg h ASP 327 Ca 0.11 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3ihg h ASP 327 Cb 0.79 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3ihg h ASP 327 CO 0.07 0.60 0.11 1.23 -1.72 0.00 0.00 179.24 179.53 3ihg h GLY 328 N 1.09 1.09 1.43 2.75 0.00 -0.70 -0.78 103.07 107.95 3ihg h GLY 328 Ca 0.42 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3ihg h GLY 328 CO -0.18 0.66 0.27 -2.75 0.00 0.00 0.00 176.54 174.54 3ihg h PHE 329 N 0.92 0.73 0.08 5.60 3.57 -0.32 0.10 116.94 127.63 3ihg h PHE 329 Ca 0.19 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3ihg h PHE 329 Cb 0.41 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3ihg h PHE 329 CO 0.03 0.53 -0.04 0.22 -2.23 0.00 0.00 178.31 176.82 3ihg h ASP 330 N 0.75 -0.09 -0.54 0.41 3.58 -0.66 -2.89 116.42 116.97 3ihg h ASP 330 Ca 0.19 -0.46 0.10 0.00 0.42 0.00 0.00 57.03 57.29 3ihg h ASP 330 Cb 0.05 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.04 3ihg h ASP 330 CO -0.03 0.57 0.06 0.25 -2.88 0.00 0.00 179.24 177.21 3ihg h LEU 331 N -0.93 -0.12 0.04 2.28 5.85 -1.15 -2.97 115.31 118.31 3ihg h LEU 331 Ca -0.01 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3ihg h LEU 331 Cb 0.54 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3ihg h LEU 331 CO 0.02 -0.04 -0.36 0.00 -0.34 0.00 0.00 178.44 177.72 3ihg h ALA 332 N 1.46 -0.83 -0.62 1.25 0.00 -0.76 -0.03 119.26 119.74 3ihg h ALA 332 Ca 0.28 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3ihg h ALA 332 Cb 0.42 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3ihg h ALA 332 CO -0.41 -0.93 0.13 0.11 0.00 0.00 0.00 179.25 178.15 3ihg h TRP 333 N -0.48 1.03 -0.25 0.00 5.08 -1.43 0.15 115.95 120.05 3ihg h TRP 333 Ca 0.00 -0.12 -0.02 0.00 1.08 0.00 0.00 58.89 59.83 3ihg h TRP 333 Cb 0.50 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 26.36 3ihg h TRP 333 CO -0.44 0.86 0.06 0.87 -1.28 0.00 0.00 178.44 178.51 3ihg h LYS 334 N 0.93 0.39 -0.78 0.12 1.57 -1.52 0.95 116.57 118.23 3ihg h LYS 334 Ca 0.19 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3ihg h LYS 334 Cb 0.37 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3ihg h LYS 334 CO 0.00 0.50 0.51 -0.07 -0.57 0.00 0.00 179.45 179.82 3ihg h LEU 335 N 0.22 0.85 0.13 2.94 3.38 -0.10 -1.99 115.31 120.75 3ihg h LEU 335 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ihg h LEU 335 Cb 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ihg h LEU 335 CO 0.00 0.60 -0.06 0.00 0.09 0.00 0.00 178.44 179.07 3ihg h ALA 336 N 1.53 -0.18 -0.61 1.53 0.00 -0.51 0.13 119.26 121.16 3ihg h ALA 336 Ca 0.30 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3ihg h ALA 336 Cb -0.02 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3ihg h ALA 336 CO -0.08 -0.40 0.19 0.00 0.00 0.00 0.00 179.25 178.96 3ihg h ALA 337 N 0.21 0.77 -0.09 0.00 0.00 -0.71 -0.56 119.26 118.88 3ihg h ALA 337 Ca -0.02 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3ihg h ALA 337 Cb 0.45 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ihg h ALA 337 CO 0.03 -0.24 -0.38 0.28 0.00 0.00 0.00 179.25 178.93 3ihg h VAL 338 N 0.34 1.29 0.00 0.00 2.07 -1.20 0.49 116.25 119.25 3ihg h VAL 338 Ca 0.32 -1.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.29 3ihg h VAL 338 Cb 0.44 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3ihg h VAL 338 CO -0.35 0.42 -0.60 -0.07 0.02 0.00 0.00 177.57 176.99 3ihg h LEU 339 N 0.16 0.00 -1.75 2.57 3.38 0.68 -2.96 115.31 117.39 3ihg h LEU 339 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ihg h LEU 339 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3ihg h LEU 339 CO 0.06 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.19 3ihg n GLN 340 N -3.39 2.13 -0.81 1.13 6.02 -0.36 -4.91 117.38 117.19 3ihg n GLN 340 Ca 0.01 -1.72 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 3ihg n GLN 340 Cb 0.72 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.53 3ihg n GLN 340 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ihg n GLY 341 N 1.32 0.57 0.17 1.08 0.00 -1.07 -4.91 105.19 102.34 3ihg n GLY 341 Ca 0.18 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3ihg n GLY 341 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ihg h GLN 342 N 1.13 0.00 -3.54 1.61 4.20 -0.28 -3.47 115.11 114.76 3ihg h GLN 342 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3ihg h GLN 342 Cb 0.00 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 27.59 3ihg h GLN 342 CO 0.00 0.05 -0.46 0.00 -0.67 0.00 0.00 178.83 177.75 3ihg s ALA 343 N -3.24 -0.32 0.57 3.87 0.00 -0.92 -4.93 121.76 116.78 3ihg s ALA 343 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 3ihg s ALA 343 Cb 0.07 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.38 3ihg s ALA 343 CO 0.73 -0.27 0.85 0.20 0.00 0.00 0.00 175.76 177.27 3ihg s GLY 344 N -1.68 1.64 0.62 0.00 0.00 0.18 -4.19 107.32 103.89 3ihg s GLY 344 Ca -0.11 -0.90 0.33 0.00 0.00 0.00 0.00 44.72 44.04 3ihg s GLY 344 CO -0.01 -0.63 2.15 0.00 0.00 0.00 0.00 173.10 174.62 3ihg h ALA 345 N -0.08 1.50 -0.21 3.20 0.00 -1.88 -1.01 119.26 120.78 3ihg h ALA 345 Ca -0.45 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3ihg h ALA 345 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ihg h ALA 345 CO 0.59 -0.20 0.18 0.78 0.00 0.00 0.00 179.25 180.60 3ihg h GLY 346 N 0.00 0.00 1.00 0.00 0.00 -1.90 -1.87 103.07 100.30 3ihg h GLY 346 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3ihg h GLY 346 CO -0.00 0.00 0.11 -2.00 0.00 0.00 0.00 176.54 174.65 3ihg h LEU 347 N 0.00 0.85 -1.77 3.11 5.85 -1.45 -1.92 115.31 119.99 3ihg h LEU 347 Ca 0.10 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3ihg h LEU 347 Cb 0.46 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3ihg h LEU 347 CO -0.00 0.88 0.41 -0.07 -0.34 0.00 0.00 178.44 179.32 3ihg h LEU 348 N 0.78 0.00 -0.51 2.25 3.38 -1.52 0.21 115.31 119.90 3ihg h LEU 348 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3ihg h LEU 348 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3ihg h LEU 348 CO 0.01 0.00 -0.22 0.44 0.09 0.00 0.00 178.44 178.76 3ihg h ASP 349 N 0.00 0.00 0.77 -0.43 3.32 -1.46 -3.03 116.42 115.59 3ihg h ASP 349 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ihg h ASP 349 Cb 0.83 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 3ihg h ASP 349 CO -0.00 0.22 -0.02 0.71 -1.72 0.00 0.00 179.24 178.43 3ihg h THR 350 N 0.00 0.07 0.37 0.35 1.35 -1.07 -2.78 112.91 111.21 3ihg h THR 350 Ca -0.00 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 3ihg h THR 350 Cb 0.98 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3ihg h THR 350 CO 0.03 0.02 -0.32 0.22 -0.25 0.00 0.00 175.52 175.22 3ihg h TYR 351 N 0.00 -0.87 0.49 4.73 3.20 -1.65 -0.33 116.97 122.54 3ihg h TYR 351 Ca -0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3ihg h TYR 351 Cb 0.41 0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.02 3ihg h TYR 351 CO 0.00 -0.47 -0.27 1.49 -1.64 0.00 0.00 178.16 177.27 3ihg h GLU 352 N -0.71 -0.68 -0.97 1.82 4.81 -1.68 0.15 114.58 117.32 3ihg h GLU 352 Ca -0.03 0.05 0.32 0.00 -0.13 0.00 0.00 59.36 59.57 3ihg h GLU 352 Cb 0.62 0.15 -0.17 0.00 0.63 0.00 0.00 28.75 29.99 3ihg h GLU 352 CO -0.03 -0.45 0.30 -0.44 -0.73 0.00 0.00 179.01 177.66 3ihg h ASP 353 N -0.70 -0.01 0.00 1.04 3.32 -1.53 0.21 116.42 118.74 3ihg h ASP 353 Ca -0.07 0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3ihg h ASP 353 Cb 0.55 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3ihg h ASP 353 CO 0.09 -0.33 -0.30 -0.33 -1.72 0.00 0.00 179.24 176.65 3ihg h GLU 354 N 0.07 0.00 0.00 3.56 5.08 -0.94 -3.32 114.58 119.04 3ihg h GLU 354 Ca 0.69 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.95 3ihg h GLU 354 Cb 1.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 3ihg h GLU 354 CO -0.79 0.64 -0.49 0.00 -1.00 0.00 0.00 179.01 177.37 3ihg h ARG 355 N -1.00 0.00 -0.52 2.33 2.47 -0.43 -2.41 114.38 114.82 3ihg h ARG 355 Ca -0.07 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 3ihg h ARG 355 Cb 0.75 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 3ihg h ARG 355 CO -0.04 0.49 0.07 -0.22 0.56 0.00 0.00 179.97 180.83 3ihg h LYS 356 N 0.00 0.87 0.08 0.04 3.64 -0.73 -0.03 116.57 120.43 3ihg h LYS 356 Ca -0.00 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3ihg h LYS 356 Cb 1.07 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3ihg h LYS 356 CO 0.06 0.86 -0.04 0.28 -2.27 0.00 0.00 179.45 178.34 3ihg h VAL 357 N 0.75 0.94 -0.70 2.00 2.07 -1.64 -2.70 116.25 116.97 3ihg h VAL 357 Ca 0.16 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.75 3ihg h VAL 357 Cb 0.42 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3ihg h VAL 357 CO 0.01 0.01 0.47 0.00 0.02 0.00 0.00 177.57 178.08 3ihg h ALA 358 N 0.80 2.06 -0.29 1.67 0.00 -1.10 0.29 119.26 122.68 3ihg h ALA 358 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3ihg h ALA 358 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ihg h ALA 358 CO 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 179.25 178.96 3ihg h ALA 359 N 1.66 1.33 -0.11 0.00 0.00 -0.70 0.21 119.26 121.65 3ihg h ALA 359 Ca 0.34 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3ihg h ALA 359 Cb 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ihg h ALA 359 CO -0.11 0.45 -0.28 0.93 0.00 0.00 0.00 179.25 180.25 3ihg h GLU 360 N 0.44 0.38 -0.70 0.00 5.08 -0.22 -1.30 114.58 118.26 3ihg h GLU 360 Ca 0.09 -0.26 0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3ihg h GLU 360 Cb 0.41 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 3ihg h GLU 360 CO 0.02 0.88 0.36 -0.07 -1.00 0.00 0.00 179.01 179.20 3ihg h LEU 361 N -0.05 0.50 -0.04 1.33 3.38 -0.83 0.10 115.31 119.70 3ihg h LEU 361 Ca -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ihg h LEU 361 Cb 0.88 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3ihg h LEU 361 CO 0.06 0.30 -0.02 0.58 0.09 0.00 0.00 178.44 179.44 3ihg h VAL 362 N 0.64 1.35 -0.69 1.22 2.07 -0.93 -1.45 116.25 118.46 3ihg h VAL 362 Ca 0.34 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.82 3ihg h VAL 362 Cb 0.31 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 3ihg h VAL 362 CO -0.24 0.29 0.40 0.58 0.02 0.00 0.00 177.57 178.63 3ihg h VAL 363 N -0.34 1.01 -0.27 2.57 2.07 -1.11 -1.55 116.25 118.64 3ihg h VAL 363 Ca 0.01 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3ihg h VAL 363 Cb 0.48 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3ihg h VAL 363 CO 0.01 0.14 0.13 0.00 0.02 0.00 0.00 177.57 177.87 3ihg h ALA 364 N 1.34 0.34 -0.85 1.67 0.00 -0.93 -1.52 119.26 119.32 3ihg h ALA 364 Ca 0.30 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3ihg h ALA 364 Cb 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3ihg h ALA 364 CO -0.16 -0.11 0.55 1.49 0.00 0.00 0.00 179.25 181.03 3ihg h GLU 365 N 0.31 0.96 -0.05 0.00 4.57 -1.03 -1.34 114.58 117.99 3ihg h GLU 365 Ca 0.09 -0.06 -0.25 0.00 -1.18 0.00 0.00 59.36 57.97 3ihg h GLU 365 Cb 0.10 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3ihg h GLU 365 CO -0.01 0.63 -0.93 0.00 -1.18 0.00 0.00 179.01 177.52 3ihg h ALA 366 N 1.53 0.23 -0.14 2.92 0.00 -1.00 0.02 119.26 122.82 3ihg h ALA 366 Ca 0.35 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ihg h ALA 366 Cb 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ihg h ALA 366 CO -0.12 0.70 0.09 -0.07 0.00 0.00 0.00 179.25 179.85 3ihg h LEU 367 N 0.43 0.15 -2.13 0.00 3.38 -1.07 0.84 115.31 116.91 3ihg h LEU 367 Ca -0.10 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ihg h LEU 367 Cb 1.58 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 3ihg h LEU 367 CO 0.18 0.11 -0.00 0.00 0.09 0.00 0.00 178.44 178.82 3ihg h ALA 368 N 1.05 1.86 0.08 1.53 0.00 -0.99 -0.07 119.26 122.72 3ihg h ALA 368 Ca 0.05 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 3ihg h ALA 368 Cb -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ihg h ALA 368 CO -0.02 0.00 -1.13 0.82 0.00 0.00 0.00 179.25 178.93 3ihg h ILE 369 N 0.00 1.41 -0.74 0.00 2.04 -0.42 -2.57 117.51 117.24 3ihg h ILE 369 Ca -0.00 -2.69 -0.02 0.00 1.00 0.00 0.00 64.86 63.15 3ihg h ILE 369 Cb 0.01 2.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 3ihg h ILE 369 CO 0.00 0.80 0.40 0.22 0.00 0.00 0.00 178.15 179.57 3ihg h TYR 370 N 0.17 1.02 0.01 1.37 3.20 0.87 0.18 116.97 123.80 3ihg h TYR 370 Ca -0.12 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 3ihg h TYR 370 Cb 1.80 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.75 3ihg h TYR 370 CO 0.07 0.73 -0.00 0.00 -1.64 0.00 0.00 178.16 177.31 3ihg h ALA 371 N 1.20 -0.01 0.00 1.82 0.00 -1.19 0.15 119.26 121.24 3ihg h ALA 371 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ihg h ALA 371 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ihg h ALA 371 CO -0.04 -0.40 -0.23 1.96 0.00 0.00 0.00 179.25 180.53 3ihg h GLN 372 N -0.22 0.00 0.00 0.00 1.08 -1.00 -0.32 115.11 114.66 3ihg h GLN 372 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ihg h GLN 372 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3ihg h GLN 372 CO 0.00 0.23 -1.08 0.54 -0.95 0.00 0.00 178.83 177.58 3ihg n ARG 373 N -3.55 0.53 0.00 1.46 1.74 0.00 -4.79 116.66 112.06 3ihg n ARG 373 Ca -0.01 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3ihg n ARG 373 Cb 0.38 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 3ihg n ARG 373 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3ihg n MET 374 N -1.58 1.94 -3.12 5.56 2.81 -0.08 -4.87 117.12 117.78 3ihg n MET 374 Ca -0.01 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 3ihg n MET 374 Cb 0.08 -0.72 -0.04 0.00 -0.71 0.00 0.00 33.22 31.83 3ihg n MET 374 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ihg n ALA 375 N -1.11 1.76 -0.06 3.04 0.00 0.35 -4.97 120.51 119.51 3ihg n ALA 375 Ca 0.00 -3.08 0.24 0.00 0.00 0.00 0.00 53.44 50.60 3ihg n ALA 375 Cb 0.20 -0.91 0.71 0.00 0.00 0.00 0.00 19.45 19.45 3ihg n ALA 375 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ihg h PRO 376 N 3.82 0.00 0.00 0.00 0.11 -1.32 0.19 132.00 134.80 3ihg h PRO 376 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3ihg h PRO 376 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3ihg h PRO 376 CO 0.44 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.84 3ihg n HIS 377 N -4.21 0.00 0.68 0.65 1.44 -1.26 -2.86 115.22 109.66 3ihg n HIS 377 Ca 0.13 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.91 3ihg n HIS 377 Cb 0.76 -0.28 -0.02 0.00 0.12 0.00 0.00 29.99 30.58 3ihg n HIS 377 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3ihg n MET 378 N -1.28 1.81 -0.48 -1.40 2.81 0.68 -4.69 117.12 114.57 3ihg n MET 378 Ca 0.07 -0.65 0.40 0.00 -1.81 0.00 0.00 57.70 55.71 3ihg n MET 378 Cb 0.11 -1.24 0.69 0.00 -0.71 0.00 0.00 33.22 32.07 3ihg n MET 378 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ihg h ALA 379 N 2.55 3.01 -0.14 3.04 0.00 -1.65 0.16 119.26 126.24 3ihg h ALA 379 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ihg h ALA 379 Cb 0.49 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ihg h ALA 379 CO 0.00 -1.58 0.00 -0.85 0.00 0.00 0.00 179.25 176.82 3ihg n GLU 380 N -4.45 2.05 0.16 0.00 0.28 -1.26 -3.16 120.64 114.25 3ihg n GLU 380 Ca 0.37 -1.55 0.01 0.00 -0.16 0.00 0.00 57.16 55.82 3ihg n GLU 380 Cb 1.51 -1.46 0.29 0.00 1.43 0.00 0.00 31.44 33.20 3ihg n GLU 380 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3ihg h VAL 381 N 3.43 1.32 -3.70 3.84 2.07 -1.01 -3.45 116.25 118.75 3ihg h VAL 381 Ca 0.00 -1.53 -0.44 0.00 0.82 0.00 0.00 66.70 65.55 3ihg h VAL 381 Cb 0.74 1.80 -0.20 0.00 -1.52 0.00 0.00 31.29 32.11 3ihg h VAL 381 CO 0.00 0.44 -0.77 0.26 0.02 0.00 0.00 177.57 177.52 3ihg s TRP 382 N -4.04 1.43 0.69 1.57 0.51 -1.19 -5.11 118.94 112.79 3ihg s TRP 382 Ca -0.03 -0.51 -0.17 0.00 -2.12 0.00 0.00 56.10 53.28 3ihg s TRP 382 Cb 0.14 -0.76 -0.04 0.00 -0.81 0.00 0.00 33.47 31.99 3ihg s TRP 382 CO 0.74 0.14 0.62 -0.25 -0.51 0.00 0.00 176.95 177.70 3ihg n ASP 383 N 0.78 -0.78 -4.80 2.95 10.43 -1.26 -4.89 116.55 118.98 3ihg n ASP 383 Ca -0.17 0.64 -0.31 0.00 2.57 0.00 0.00 54.79 57.52 3ihg n ASP 383 Cb 0.56 -1.25 0.07 0.00 1.84 0.00 0.00 41.12 42.34 3ihg n ASP 383 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3ihg s LYS 384 N -2.73 2.64 0.31 -1.24 2.20 -1.26 -4.68 119.74 114.98 3ihg s LYS 384 Ca 0.68 1.00 -0.29 0.00 -0.36 0.00 0.00 55.97 56.99 3ihg s LYS 384 Cb -0.37 -1.95 -0.12 0.00 -1.51 0.00 0.00 37.83 33.88 3ihg s LYS 384 CO 0.55 -1.32 1.43 0.45 -0.36 0.00 0.00 175.35 176.10 3ihg n SER 385 N -3.28 3.20 0.06 1.43 2.88 -1.26 -4.90 113.62 111.74 3ihg n SER 385 Ca 0.08 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.92 3ihg n SER 385 Cb 0.54 -1.52 0.14 0.00 -0.75 0.00 0.00 64.21 62.62 3ihg n SER 385 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3ihg n VAL 386 N 1.17 0.33 0.00 2.46 0.31 -1.26 -5.00 118.33 116.34 3ihg n VAL 386 Ca 0.07 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3ihg n VAL 386 Cb 0.36 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 3ihg n VAL 386 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ihg n GLY 387 N 1.34 3.87 0.33 2.92 0.00 -1.26 -4.78 105.19 107.62 3ihg n GLY 387 Ca 0.03 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 3ihg n GLY 387 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ihg h TYR 388 N 0.00 -0.89 -0.08 1.61 5.03 -1.98 -1.46 116.97 119.19 3ihg h TYR 388 Ca 0.00 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.24 3ihg h TYR 388 Cb 0.00 0.43 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 3ihg h TYR 388 CO 0.00 -0.39 -0.45 -1.35 -1.32 0.00 0.00 178.16 174.65 3ihg h PRO 389 N -0.35 0.20 -0.29 1.82 0.11 -1.98 -1.00 132.00 130.51 3ihg h PRO 389 Ca 0.12 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 3ihg h PRO 389 Cb 0.54 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 3ihg h PRO 389 CO -0.41 0.61 -0.05 1.05 -0.21 0.00 0.00 178.00 178.99 3ihg h GLU 390 N 0.16 0.46 -0.12 1.05 9.09 -1.78 0.37 114.58 123.81 3ihg h GLU 390 Ca 0.01 -0.11 -0.19 0.00 0.05 0.00 0.00 59.36 59.13 3ihg h GLU 390 Cb 0.86 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.89 3ihg h GLU 390 CO 0.07 0.53 -0.69 1.15 0.05 0.00 0.00 179.01 180.12 3ihg h THR 391 N 0.44 1.34 0.02 -1.06 2.02 -0.89 0.33 112.91 115.11 3ihg h THR 391 Ca 0.09 -2.01 -0.31 0.00 0.77 0.00 0.00 66.41 64.95 3ihg h THR 391 Cb 0.37 1.99 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 3ihg h THR 391 CO 0.02 0.62 -1.86 0.18 0.37 0.00 0.00 175.52 174.85 3ihg n LEU 392 N -3.89 1.03 0.00 2.58 4.77 -0.41 -4.49 117.00 116.59 3ihg n LEU 392 Ca -0.05 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3ihg n LEU 392 Cb 0.69 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 3ihg n LEU 392 CO 0.49 0.48 -0.22 0.18 -1.33 0.00 0.00 177.39 176.98 3ihg n LEU 393 N -3.06 0.00 -0.98 2.23 4.77 0.12 -4.72 117.00 115.35 3ihg n LEU 393 Ca -0.22 -0.14 0.10 0.00 -0.03 0.00 0.00 56.01 55.73 3ihg n LEU 393 Cb 1.07 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 42.33 3ihg n LEU 393 CO 0.44 0.00 0.65 0.61 -1.33 0.00 0.00 177.39 177.76 3ihg n GLY 394 N 1.39 1.48 3.74 -0.72 0.00 -0.60 -4.65 105.19 105.81 3ihg n GLY 394 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3ihg n GLY 394 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ihg s PHE 395 N -1.41 2.12 -0.08 1.61 -0.12 0.03 -1.17 117.98 118.95 3ihg s PHE 395 Ca 0.32 1.44 0.03 0.00 -0.05 0.00 0.00 56.93 58.68 3ihg s PHE 395 Cb 0.19 -3.75 0.01 0.00 -0.63 0.00 0.00 43.02 38.84 3ihg s PHE 395 CO 0.27 -2.98 -0.18 0.50 -0.05 0.00 0.00 175.22 172.78 3ihg s ARG 396 N -3.23 2.35 0.34 1.99 3.52 0.27 -4.39 118.95 119.80 3ihg s ARG 396 Ca 0.79 -0.65 -0.22 0.00 -0.13 0.00 0.00 55.73 55.52 3ihg s ARG 396 Cb -0.39 -1.84 -0.10 0.00 -1.56 0.00 0.00 34.95 31.06 3ihg s ARG 396 CO 0.43 0.12 0.90 0.71 -0.81 0.00 0.00 175.30 176.65 3ihg s TYR 397 N 0.45 3.53 -0.02 5.12 2.02 -0.85 -4.87 117.35 122.74 3ihg s TYR 397 Ca -0.16 1.62 0.03 0.00 -0.37 0.00 0.00 57.07 58.20 3ihg s TYR 397 Cb -0.16 -2.82 -0.01 0.00 -0.40 0.00 0.00 41.96 38.57 3ihg s TYR 397 CO 0.06 0.11 -0.11 1.03 -1.57 0.00 0.00 175.55 175.07 3ihg s ARG 398 N -2.50 0.98 0.00 -0.62 1.81 -1.26 -4.48 118.95 112.88 3ihg s ARG 398 Ca 0.53 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 54.15 3ihg s ARG 398 Cb -0.14 -0.93 0.00 0.00 -0.45 0.00 0.00 34.95 33.42 3ihg s ARG 398 CO 0.19 0.21 0.00 -1.13 -0.68 0.00 0.00 175.30 173.89 3ihg n SER 399 N 2.95 0.00 0.05 0.23 3.41 -1.26 -4.30 113.62 114.70 3ihg n SER 399 Ca -0.15 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.51 3ihg n SER 399 Cb 0.55 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.74 3ihg n SER 399 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ihg n SER 400 N 0.16 0.19 -1.45 4.04 3.41 -1.26 -1.43 113.62 117.28 3ihg n SER 400 Ca 0.00 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 3ihg n SER 400 Cb 0.00 -0.61 0.33 0.00 -0.26 0.00 0.00 64.21 63.68 3ihg n SER 400 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ihg n ALA 401 N -1.59 3.18 -3.78 7.33 0.00 -1.26 -4.23 120.51 120.17 3ihg n ALA 401 Ca 0.00 -1.77 -0.23 0.00 0.00 0.00 0.00 53.44 51.44 3ihg n ALA 401 Cb 0.06 -0.93 -0.17 0.00 0.00 0.00 0.00 19.45 18.40 3ihg n ALA 401 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ihg s VAL 402 N -2.18 0.42 -0.97 0.00 1.01 -0.52 -4.70 120.40 113.46 3ihg s VAL 402 Ca 0.48 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 3ihg s VAL 402 Cb 0.33 -0.56 0.24 0.00 0.00 0.00 0.00 36.38 36.40 3ihg s VAL 402 CO 0.19 0.27 0.94 -0.76 0.00 0.00 0.00 175.10 175.74 3ihg s LEU 403 N 1.94 6.52 -0.10 3.92 1.43 0.47 -4.51 118.68 128.35 3ihg s LEU 403 Ca 0.05 -3.10 -0.09 0.00 -1.03 0.00 0.00 54.13 49.96 3ihg s LEU 403 Cb -0.12 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3ihg s LEU 403 CO -0.05 -0.45 0.20 0.00 0.23 0.00 0.00 176.35 176.27 3ihg s ALA 404 N -0.42 3.82 -0.16 4.21 0.00 -1.26 -4.54 121.76 123.40 3ihg s ALA 404 Ca 0.24 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.44 3ihg s ALA 404 Cb -0.10 -2.08 -0.23 0.00 0.00 0.00 0.00 23.12 20.72 3ihg s ALA 404 CO -0.08 0.55 0.43 1.15 0.00 0.00 0.00 175.76 177.80 3ihg h THR 405 N 4.00 1.13 -3.74 0.00 2.02 -1.95 -3.48 112.91 110.89 3ihg h THR 405 Ca -0.53 -2.28 -0.44 0.00 0.77 0.00 0.00 66.41 63.93 3ihg h THR 405 Cb 1.22 2.61 0.17 0.00 -1.74 0.00 0.00 68.15 70.42 3ihg h THR 405 CO 0.60 0.49 0.16 1.51 0.37 0.00 0.00 175.52 178.66 3ihg s ASP 406 N -6.76 2.03 -0.42 4.18 -4.77 -1.26 -5.03 116.67 104.65 3ihg s ASP 406 Ca -0.24 1.04 0.06 0.00 -3.30 0.00 0.00 52.55 50.11 3ihg s ASP 406 Cb 0.04 -1.61 0.21 0.00 -1.09 0.00 0.00 42.92 40.47 3ihg s ASP 406 CO 0.66 -3.48 0.45 -0.67 0.70 0.00 0.00 175.17 172.83 3ihg n ASP 407 N -4.39 0.06 -4.70 2.11 2.03 -1.26 -5.09 116.55 105.31 3ihg n ASP 407 Ca 0.07 -2.58 -0.40 0.00 0.52 0.00 0.00 54.79 52.39 3ihg n ASP 407 Cb 0.58 -0.60 -0.05 0.00 -0.72 0.00 0.00 41.12 40.33 3ihg n ASP 407 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ihg s ASP 408 N -0.67 6.93 0.00 1.67 3.68 -1.26 -4.97 116.67 122.05 3ihg s ASP 408 Ca 0.34 1.12 0.28 0.00 2.13 0.00 0.00 52.55 56.43 3ihg s ASP 408 Cb 0.11 -2.40 1.40 0.00 -1.45 0.00 0.00 42.92 40.57 3ihg s ASP 408 CO -0.15 -0.18 1.97 -0.81 0.13 0.00 0.00 175.17 176.13 3ihg n PRO 409 N 4.18 0.36 -1.74 4.34 -0.04 -1.26 -4.86 135.00 135.99 3ihg n PRO 409 Ca -0.01 0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 63.08 3ihg n PRO 409 Cb 0.51 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3ihg n PRO 409 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ihg n ALA 410 N -1.31 1.63 0.57 0.55 0.00 -1.26 -4.93 120.51 115.75 3ihg n ALA 410 Ca 0.13 0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.81 3ihg n ALA 410 Cb 0.24 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 3ihg n ALA 410 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ihg n ARG 411 N -0.62 2.07 -4.07 0.00 1.74 -1.26 -4.91 116.66 109.60 3ihg n ARG 411 Ca 0.08 -0.59 -0.10 0.00 -0.77 0.00 0.00 57.85 56.48 3ihg n ARG 411 Cb 0.43 -1.16 -0.08 0.00 -1.02 0.00 0.00 32.46 30.63 3ihg n ARG 411 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3ihg s VAL 412 N -1.69 0.06 0.05 1.55 -7.23 -1.26 -0.57 120.40 111.31 3ihg s VAL 412 Ca 0.10 -1.69 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 3ihg s VAL 412 Cb 0.10 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 3ihg s VAL 412 CO 0.35 -0.29 0.10 -1.83 -0.31 0.00 0.00 175.10 173.12 3ihg s GLU 413 N -4.03 0.63 -0.23 4.82 -1.05 -0.32 -4.93 118.70 113.59 3ihg s GLU 413 Ca 0.24 -0.84 -0.31 0.00 -0.15 0.00 0.00 54.97 53.91 3ihg s GLU 413 Cb 0.05 0.25 -0.08 0.00 -0.44 0.00 0.00 34.13 33.91 3ihg s GLU 413 CO 0.03 -0.16 2.16 -1.71 0.95 0.00 0.00 175.26 176.53 3ihg n ASN 414 N 0.56 3.01 0.23 0.83 4.05 -1.26 -4.35 115.26 118.32 3ihg n ASN 414 Ca -0.18 0.39 0.16 0.00 0.45 0.00 0.00 54.58 55.40 3ihg n ASN 414 Cb 0.59 -1.45 0.77 0.00 1.23 0.00 0.00 39.78 40.92 3ihg n ASN 414 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3ihg h PRO 415 N 13.38 0.00 0.00 1.20 0.13 -1.86 -2.24 132.00 142.61 3ihg h PRO 415 Ca -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.65 3ihg h PRO 415 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3ihg h PRO 415 CO 0.97 0.00 -0.46 -0.07 -0.23 0.00 0.00 178.00 178.21 3ihg h LEU 416 N 0.00 0.00 -6.86 1.56 3.38 -1.94 -3.34 115.31 108.12 3ihg h LEU 416 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3ihg h LEU 416 Cb 0.17 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.51 3ihg h LEU 416 CO 0.00 0.46 -0.69 0.35 0.09 0.00 0.00 178.44 178.66 3ihg n THR 417 N -3.34 0.87 -1.71 0.22 -2.24 -0.84 -4.95 114.28 102.28 3ihg n THR 417 Ca 0.01 -4.49 -0.30 0.00 -2.27 0.00 0.00 64.05 57.01 3ihg n THR 417 Cb 0.65 -2.04 0.08 0.00 -2.10 0.00 0.00 70.33 66.92 3ihg n THR 417 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ihg s PRO 418 N -1.09 2.29 -0.01 -0.78 0.04 -1.23 -4.62 135.00 129.60 3ihg s PRO 418 Ca 0.28 0.49 0.20 0.00 0.04 0.00 0.00 61.00 62.00 3ihg s PRO 418 Cb -0.01 -1.95 -0.26 0.00 0.04 0.00 0.00 34.50 32.32 3ihg s PRO 418 CO -0.17 -1.44 0.70 -1.13 0.04 0.00 0.00 177.00 175.00 3ihg n SER 419 N -3.28 0.69 0.00 6.66 3.41 -1.26 -4.98 113.62 114.86 3ihg n SER 419 Ca 0.07 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 3ihg n SER 419 Cb 0.57 1.36 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 3ihg n SER 419 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ihg n GLY 420 N 1.42 0.08 3.76 5.00 0.00 -1.07 -4.57 105.19 109.81 3ihg n GLY 420 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3ihg n GLY 420 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihg s ARG 421 N -0.91 3.70 0.18 1.61 0.52 -1.26 -4.88 118.95 117.90 3ihg s ARG 421 Ca 0.00 2.31 -0.30 0.00 -0.52 0.00 0.00 55.73 57.22 3ihg s ARG 421 Cb 0.00 -2.63 -0.17 0.00 0.52 0.00 0.00 34.95 32.67 3ihg s ARG 421 CO 0.00 -0.77 0.67 -2.30 0.02 0.00 0.00 175.30 172.91 3ihg n PRO 422 N -0.22 0.17 0.00 3.54 -0.02 -1.26 -2.33 135.00 134.88 3ihg n PRO 422 Ca 0.05 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3ihg n PRO 422 Cb 0.43 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 3ihg n PRO 422 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihg n GLY 423 N 1.86 2.26 3.97 -1.23 0.00 0.12 -4.85 105.19 107.32 3ihg n GLY 423 Ca 0.17 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3ihg n GLY 423 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ihg s PHE 424 N -1.95 3.09 0.36 1.61 0.08 -0.98 -2.01 117.98 118.18 3ihg s PHE 424 Ca 0.00 0.04 -0.28 0.00 0.12 0.00 0.00 56.93 56.81 3ihg s PHE 424 Cb 0.00 -2.36 -0.11 0.00 -0.57 0.00 0.00 43.02 39.98 3ihg s PHE 424 CO 0.00 -0.42 1.47 0.54 -0.10 0.00 0.00 175.22 176.72 3ihg n ARG 425 N -2.04 2.58 -1.57 0.44 1.74 -1.26 -0.67 116.66 115.88 3ihg n ARG 425 Ca 0.03 0.91 -0.50 0.00 -0.77 0.00 0.00 57.85 57.52 3ihg n ARG 425 Cb 0.58 -2.62 -0.04 0.00 -1.02 0.00 0.00 32.46 29.36 3ihg n ARG 425 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ihg n GLY 426 N 0.81 0.02 3.72 -0.13 0.00 0.22 -4.78 105.19 105.05 3ihg n GLY 426 Ca 0.03 0.56 -0.39 0.00 0.00 0.00 0.00 46.02 46.22 3ihg n GLY 426 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ihg n PRO 427 N 1.80 1.55 -2.16 1.61 -0.02 -1.26 -4.87 135.00 131.65 3ihg n PRO 427 Ca 0.16 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 3ihg n PRO 427 Cb 0.23 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.19 3ihg n PRO 427 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ihg s HIS 428 N -1.32 2.27 -0.01 6.00 5.65 -1.26 -4.44 115.29 122.18 3ihg s HIS 428 Ca 0.72 0.52 -0.00 0.00 0.25 0.00 0.00 55.06 56.55 3ihg s HIS 428 Cb -0.42 -3.81 0.01 0.00 -1.18 0.00 0.00 32.58 27.18 3ihg s HIS 428 CO 0.49 -2.99 0.03 0.08 -0.65 0.00 0.00 174.74 171.70 3ihg s VAL 429 N 4.15 -0.03 0.18 0.89 1.01 -1.26 -4.93 120.40 120.41 3ihg s VAL 429 Ca 0.67 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3ihg s VAL 429 Cb -0.28 -0.06 -0.07 0.00 0.00 0.00 0.00 36.38 35.97 3ihg s VAL 429 CO 0.25 0.04 1.02 -0.76 0.00 0.00 0.00 175.10 175.65 3ihg s LEU 430 N 0.50 4.53 0.00 3.92 1.43 -1.26 -0.77 118.68 127.03 3ihg s LEU 430 Ca -0.04 1.97 -0.09 0.00 -1.03 0.00 0.00 54.13 54.94 3ihg s LEU 430 Cb -0.06 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.60 3ihg s LEU 430 CO -0.02 -0.08 0.53 1.33 0.23 0.00 0.00 176.35 178.34 3ihg n VAL 431 N 2.25 0.00 -3.68 -1.59 0.24 -0.66 -4.81 118.33 110.08 3ihg n VAL 431 Ca 0.01 -0.75 -0.14 0.00 -2.04 0.00 0.00 64.34 61.43 3ihg n VAL 431 Cb 0.47 0.70 -0.08 0.00 -1.47 0.00 0.00 33.84 33.45 3ihg n VAL 431 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3ihg s SER 432 N -2.45 -0.54 -0.73 -1.34 1.04 -1.13 -0.83 113.70 107.73 3ihg s SER 432 Ca 0.12 0.93 -0.15 0.00 0.48 0.00 0.00 55.95 57.33 3ihg s SER 432 Cb -0.03 0.95 0.17 0.00 0.10 0.00 0.00 66.02 67.21 3ihg s SER 432 CO 0.09 -0.27 0.71 -0.13 0.98 0.00 0.00 173.24 174.62 3ihg s ARG 433 N -0.09 3.37 0.00 4.02 0.52 0.16 -1.27 118.95 125.66 3ihg s ARG 433 Ca -0.03 -2.07 0.00 0.00 -0.52 0.00 0.00 55.73 53.11 3ihg s ARG 433 Cb -0.03 -4.41 0.00 0.00 0.52 0.00 0.00 34.95 31.02 3ihg s ARG 433 CO 0.02 -1.37 0.00 0.72 0.02 0.00 0.00 175.30 174.70 3ihg n HIS 434 N 4.79 0.00 0.00 -0.53 8.25 -1.26 -1.90 115.22 124.57 3ihg n HIS 434 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3ihg n HIS 434 Cb 0.45 -1.57 0.00 0.00 1.12 0.00 0.00 29.99 29.98 3ihg n HIS 434 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ihg n GLY 435 N -0.23 1.11 3.65 -1.41 0.00 -1.26 -5.10 105.19 101.95 3ihg n GLY 435 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ihg n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ihg s GLU 436 N 0.00 4.21 -0.14 1.61 2.12 -0.80 -4.99 118.70 120.71 3ihg s GLU 436 Ca 0.00 1.23 -0.19 0.00 0.36 0.00 0.00 54.97 56.37 3ihg s GLU 436 Cb 0.00 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 3ihg s GLU 436 CO 0.00 -0.64 0.52 1.03 -0.54 0.00 0.00 175.26 175.63 3ihg s ARG 437 N 3.18 4.30 0.12 4.30 1.81 -1.26 0.39 118.95 131.80 3ihg s ARG 437 Ca 0.42 0.49 -0.12 0.00 -1.72 0.00 0.00 55.73 54.80 3ihg s ARG 437 Cb -0.15 -3.48 0.01 0.00 -0.45 0.00 0.00 34.95 30.88 3ihg s ARG 437 CO 0.08 0.04 0.31 -0.51 -0.68 0.00 0.00 175.30 174.53 3ihg s LEU 438 N 1.01 0.88 0.15 2.53 1.43 -0.01 -4.98 118.68 119.69 3ihg s LEU 438 Ca 0.27 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 3ihg s LEU 438 Cb -0.15 1.44 -0.07 0.00 0.03 0.00 0.00 46.19 47.43 3ihg s LEU 438 CO 0.11 -0.83 0.96 -0.55 0.23 0.00 0.00 176.35 176.27 3ihg s SER 439 N -2.86 7.54 0.57 2.29 0.15 -1.26 -1.65 113.70 118.48 3ihg s SER 439 Ca 0.07 1.85 0.45 0.00 0.70 0.00 0.00 55.95 59.01 3ihg s SER 439 Cb 0.03 -2.60 1.56 0.00 -1.71 0.00 0.00 66.02 63.31 3ihg s SER 439 CO -0.09 -0.00 1.53 0.71 1.20 0.00 0.00 173.24 176.58 3ihg h THR 440 N 3.77 0.02 -0.06 6.45 1.35 -1.24 0.64 112.91 123.85 3ihg h THR 440 Ca -0.44 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.28 3ihg h THR 440 Cb 1.21 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 3ihg h THR 440 CO 0.71 0.00 -0.63 0.58 -0.25 0.00 0.00 175.52 175.93 3ihg h VAL 441 N 0.00 1.40 0.00 6.82 2.07 -1.84 -2.76 116.25 121.94 3ihg h VAL 441 Ca 0.83 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3ihg h VAL 441 Cb 3.54 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 35.36 3ihg h VAL 441 CO -0.01 0.60 0.00 0.47 0.02 0.00 0.00 177.57 178.65 3ihg n ASP 442 N -3.85 0.00 0.21 0.57 8.00 0.22 -2.47 116.55 119.23 3ihg n ASP 442 Ca -0.02 0.48 0.08 0.00 0.71 0.00 0.00 54.79 56.03 3ihg n ASP 442 Cb 0.63 -0.49 0.40 0.00 -0.02 0.00 0.00 41.12 41.64 3ihg n ASP 442 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3ihg h LEU 443 N 0.00 0.00-10.28 0.64 3.38 -1.42 -3.48 115.31 104.16 3ihg h LEU 443 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3ihg h LEU 443 Cb 0.34 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.12 3ihg h LEU 443 CO 0.00 0.29 0.24 -0.36 0.09 0.00 0.00 178.44 178.70 3ihg s PHE 444 N -3.64 3.56 0.00 1.13 2.99 -1.03 -4.62 117.98 116.36 3ihg s PHE 444 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 56.93 58.01 3ihg s PHE 444 Cb 0.11 -2.51 0.00 0.00 0.00 0.00 0.00 43.02 40.61 3ihg s PHE 444 CO 0.66 -0.39 0.00 0.41 -0.00 0.00 0.00 175.22 175.90 3ihg n GLY 445 N -2.16 1.93 0.00 4.36 0.00 -1.25 -4.90 105.19 103.16 3ihg n GLY 445 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3ihg n GLY 445 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ihg n ASP 446 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.95 116.55 111.87 3ihg n ASP 446 Ca 0.00 0.70 0.00 0.00 -1.51 0.00 0.00 54.79 53.98 3ihg n ASP 446 Cb 0.00 -0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.20 3ihg n ASP 446 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ihg n GLY 447 N -0.41 3.75 3.90 0.27 0.00 -1.26 -5.02 105.19 106.42 3ihg n GLY 447 Ca 0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 3ihg n GLY 447 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ihg s TRP 448 N 3.33 3.55 0.09 1.61 0.52 0.17 -3.79 118.94 124.41 3ihg s TRP 448 Ca 0.00 0.45 0.09 0.00 0.02 0.00 0.00 56.10 56.66 3ihg s TRP 448 Cb 0.00 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 3ihg s TRP 448 CO 0.00 0.60 -0.24 0.99 0.02 0.00 0.00 176.95 178.32 3ihg s THR 449 N -1.38 2.00 -0.14 2.01 2.01 -0.34 -1.48 115.64 118.32 3ihg s THR 449 Ca 0.30 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 3ihg s THR 449 Cb -0.13 -1.76 0.05 0.00 0.01 0.00 0.00 72.50 70.66 3ihg s THR 449 CO 0.20 0.13 0.03 -0.22 -0.69 0.00 0.00 174.62 174.07 3ihg s LEU 450 N -1.70 0.78 -0.18 4.42 0.20 0.03 -0.03 118.68 122.21 3ihg s LEU 450 Ca 0.11 -0.47 -0.14 0.00 0.69 0.00 0.00 54.13 54.32 3ihg s LEU 450 Cb -0.10 -0.46 -0.05 0.00 -0.43 0.00 0.00 46.19 45.16 3ihg s LEU 450 CO 0.04 -0.27 0.28 -0.76 -0.29 0.00 0.00 176.35 175.35 3ihg s LEU 451 N 1.96 4.22 0.12 -0.68 1.43 -0.29 -1.43 118.68 124.02 3ihg s LEU 451 Ca 0.02 0.45 0.09 0.00 -1.03 0.00 0.00 54.13 53.66 3ihg s LEU 451 Cb -0.15 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3ihg s LEU 451 CO -0.07 0.08 -0.17 0.00 0.23 0.00 0.00 176.35 176.42 3ihg s ALA 452 N 0.62 2.70 0.90 4.21 0.00 0.21 -0.44 121.76 129.96 3ihg s ALA 452 Ca 0.15 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 3ihg s ALA 452 Cb -0.13 -0.65 0.13 0.00 0.00 0.00 0.00 23.12 22.47 3ihg s ALA 452 CO 0.04 0.58 1.11 0.20 0.00 0.00 0.00 175.76 177.69 3ihg s GLY 453 N -2.21 1.60 0.31 0.00 0.00 -0.18 -2.35 107.32 104.49 3ihg s GLY 453 Ca 0.19 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 44.64 3ihg s GLY 453 CO 0.11 0.22 1.58 -2.09 0.00 0.00 0.00 173.10 172.92 3ihg h GLU 454 N -1.49 0.02 -0.08 2.90 4.81 -1.59 0.56 114.58 119.70 3ihg h GLU 454 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3ihg h GLU 454 Cb 1.30 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3ihg h GLU 454 CO 0.58 0.01 0.00 1.28 -0.73 0.00 0.00 179.01 180.16 3ihg n LEU 455 N -5.46 1.62 -2.29 1.64 4.77 -0.07 -4.62 117.00 112.59 3ihg n LEU 455 Ca 0.24 -0.60 -0.26 0.00 -0.03 0.00 0.00 56.01 55.36 3ihg n LEU 455 Cb 0.78 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.84 3ihg n LEU 455 CO -0.06 0.30 1.42 0.61 -1.33 0.00 0.00 177.39 178.34 3ihg n GLY 456 N 1.17 4.65 0.24 -0.72 0.00 0.19 -4.46 105.19 106.26 3ihg n GLY 456 Ca 0.18 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.54 3ihg n GLY 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg h ALA 457 N 2.26 1.69 -0.53 4.61 0.00 -1.82 -2.25 119.26 123.22 3ihg h ALA 457 Ca 0.41 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3ihg h ALA 457 Cb 0.73 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3ihg h ALA 457 CO 1.02 0.17 0.33 0.38 0.00 0.00 0.00 179.25 181.15 3ihg h ASP 458 N 0.00 0.54 -0.87 0.00 2.03 -1.98 -2.14 116.42 114.01 3ihg h ASP 458 Ca -0.00 -0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.35 3ihg h ASP 458 Cb 0.25 -0.12 -0.06 0.00 -0.83 0.00 0.00 39.33 38.57 3ihg h ASP 458 CO 0.02 0.39 0.54 -0.50 -1.03 0.00 0.00 179.24 178.66 3ihg h TRP 459 N 0.66 1.01 -0.61 4.15 4.06 -1.77 -0.60 115.95 122.85 3ihg h TRP 459 Ca 0.21 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.17 3ihg h TRP 459 Cb -0.01 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 27.79 3ihg h TRP 459 CO -0.05 0.54 0.34 0.28 -3.56 0.00 0.00 178.44 175.98 3ihg h VAL 460 N 1.01 1.19 0.00 1.49 2.07 -1.40 -1.45 116.25 119.16 3ihg h VAL 460 Ca 0.37 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3ihg h VAL 460 Cb 0.12 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3ihg h VAL 460 CO -0.16 0.21 -0.18 0.00 0.02 0.00 0.00 177.57 177.47 3ihg h ALA 461 N 1.16 1.56 -0.07 1.67 0.00 -0.62 -2.77 119.26 120.18 3ihg h ALA 461 Ca 0.21 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3ihg h ALA 461 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ihg h ALA 461 CO -0.04 0.22 -0.66 0.00 0.00 0.00 0.00 179.25 178.78 3ihg h ALA 462 N 1.82 0.73 -0.47 0.00 0.00 -0.34 -2.64 119.26 118.36 3ihg h ALA 462 Ca -0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 3ihg h ALA 462 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ihg h ALA 462 CO 0.02 0.75 0.08 0.00 0.00 0.00 0.00 179.25 180.10 3ihg h ALA 463 N 1.08 1.25 0.19 0.00 0.00 -1.00 0.33 119.26 121.12 3ihg h ALA 463 Ca -0.02 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.43 3ihg h ALA 463 Cb 1.20 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 18.82 3ihg h ALA 463 CO 0.11 0.51 -1.11 0.93 0.00 0.00 0.00 179.25 179.69 3ihg h GLU 464 N 0.70 0.42 -0.89 0.00 4.39 -1.58 -1.83 114.58 115.79 3ihg h GLU 464 Ca 0.15 -0.71 0.05 0.00 0.34 0.00 0.00 59.36 59.20 3ihg h GLU 464 Cb 0.32 0.26 -0.06 0.00 -0.10 0.00 0.00 28.75 29.17 3ihg h GLU 464 CO 0.00 1.33 0.57 0.00 -1.16 0.00 0.00 179.01 179.75 3ihg h ALA 465 N 0.13 1.21 0.12 3.43 0.00 -1.04 -2.33 119.26 120.77 3ihg h ALA 465 Ca -0.19 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.41 3ihg h ALA 465 Cb 1.87 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 19.41 3ihg h ALA 465 CO 0.21 0.36 -1.22 0.28 0.00 0.00 0.00 179.25 178.88 3ihg h VAL 466 N 1.06 1.34 0.13 0.00 2.07 -0.41 -1.79 116.25 118.65 3ihg h VAL 466 Ca 0.37 -2.60 0.02 0.00 0.82 0.00 0.00 66.70 65.31 3ihg h VAL 466 Cb 0.10 2.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 3ihg h VAL 466 CO -0.15 0.78 -0.41 0.28 0.02 0.00 0.00 177.57 178.09 3ihg h SER 467 N 0.22 -1.21 -0.51 0.57 0.02 -1.19 0.37 113.55 111.81 3ihg h SER 467 Ca -0.17 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3ihg h SER 467 Cb 1.90 0.45 -0.06 0.00 0.14 0.00 0.00 62.40 64.83 3ihg h SER 467 CO 0.22 -0.49 0.18 0.00 -1.14 0.00 0.00 176.83 175.61 3ihg h ALA 468 N -0.17 0.63 0.09 3.77 0.00 -1.50 0.36 119.26 122.44 3ihg h ALA 468 Ca 0.02 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ihg h ALA 468 Cb 0.68 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3ihg h ALA 468 CO -0.23 -0.22 -0.20 0.93 0.00 0.00 0.00 179.25 179.53 3ihg h GLU 469 N 0.36 -0.36 -0.01 0.00 4.39 -0.75 -3.21 114.58 114.99 3ihg h GLU 469 Ca 0.25 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3ihg h GLU 469 Cb 0.28 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3ihg h GLU 469 CO -0.26 -0.24 -0.25 1.28 -1.16 0.00 0.00 179.01 178.38 3ihg n LEU 470 N -5.33 1.60 -3.36 1.33 4.77 0.07 -4.97 117.00 111.12 3ihg n LEU 470 Ca -0.06 -0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 55.15 3ihg n LEU 470 Cb 0.24 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3ihg n LEU 470 CO 0.26 0.29 0.03 0.61 -1.33 0.00 0.00 177.39 177.26 3ihg n GLY 471 N 1.34 -0.51 3.48 -0.72 0.00 0.12 -4.87 105.19 104.03 3ihg n GLY 471 Ca 0.13 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 3ihg n GLY 471 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihg s VAL 472 N -3.14 3.16 -0.08 1.61 1.01 -0.99 -4.94 120.40 117.04 3ihg s VAL 472 Ca 0.43 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 3ihg s VAL 472 Cb -0.21 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3ihg s VAL 472 CO 0.53 0.58 1.39 -2.16 0.00 0.00 0.00 175.10 175.44 3ihg s PRO 473 N -0.56 4.25 -0.32 2.72 0.04 -1.26 -4.23 135.00 135.64 3ihg s PRO 473 Ca 0.08 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.03 3ihg s PRO 473 Cb -0.12 -3.74 0.09 0.00 0.04 0.00 0.00 34.50 30.77 3ihg s PRO 473 CO 0.01 -0.67 0.02 0.08 0.04 0.00 0.00 177.00 176.48 3ihg s VAL 474 N 3.18 2.13 -0.02 -0.36 1.01 -1.26 -0.65 120.40 124.42 3ihg s VAL 474 Ca 0.62 -2.09 -0.27 0.00 0.00 0.00 0.00 61.98 60.24 3ihg s VAL 474 Cb -0.27 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3ihg s VAL 474 CO 0.22 -0.47 0.86 -0.60 0.00 0.00 0.00 175.10 175.12 3ihg s ARG 475 N 1.01 4.51 -0.00 2.72 3.52 -0.55 -4.61 118.95 125.55 3ihg s ARG 475 Ca 0.06 1.19 0.03 0.00 -0.13 0.00 0.00 55.73 56.88 3ihg s ARG 475 Cb -0.19 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3ihg s ARG 475 CO -0.08 0.01 -0.07 0.00 -0.81 0.00 0.00 175.30 174.35 3ihg s ALA 476 N 0.88 3.02 -0.01 6.12 0.00 -1.26 -0.79 121.76 129.72 3ihg s ALA 476 Ca 0.46 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3ihg s ALA 476 Cb -0.20 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 3ihg s ALA 476 CO 0.24 0.61 -0.08 0.71 0.00 0.00 0.00 175.76 177.24 3ihg s TYR 477 N -0.98 0.75 -0.10 0.00 2.02 -0.51 -4.96 117.35 113.57 3ihg s TYR 477 Ca 0.17 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 3ihg s TYR 477 Cb -0.11 -0.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.97 3ihg s TYR 477 CO 0.07 -0.02 -0.17 0.50 -1.57 0.00 0.00 175.55 174.36 3ihg s ARG 478 N -0.14 2.35 0.44 -0.62 3.52 -1.26 -0.62 118.95 122.61 3ihg s ARG 478 Ca 0.02 -0.62 -0.24 0.00 -0.13 0.00 0.00 55.73 54.76 3ihg s ARG 478 Cb -0.04 -1.91 -0.09 0.00 -1.56 0.00 0.00 34.95 31.34 3ihg s ARG 478 CO -0.00 0.02 1.19 0.28 -0.81 0.00 0.00 175.30 175.97 3ihg n VAL 479 N 3.95 2.67 -0.82 7.11 0.31 -0.99 -1.95 118.33 128.61 3ihg n VAL 479 Ca -0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 3ihg n VAL 479 Cb 0.52 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 3ihg n VAL 479 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ihg n GLY 480 N 0.94 0.43 0.00 2.92 0.00 0.02 -4.31 105.19 105.20 3ihg n GLY 480 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3ihg n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg n ALA 481 N 1.00 0.00 1.85 4.61 0.00 -0.82 -4.91 120.51 122.24 3ihg n ALA 481 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3ihg n ALA 481 Cb 0.07 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.39 3ihg n ALA 481 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihg n GLY 482 N 4.98 -0.95 2.85 0.00 0.00 -1.04 -4.57 105.19 106.46 3ihg n GLY 482 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3ihg n GLY 482 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ihg s LEU 483 N -2.10 1.27 -0.13 0.99 2.96 -0.98 -4.45 118.68 116.24 3ihg s LEU 483 Ca 0.44 -0.51 -0.25 0.00 -0.22 0.00 0.00 54.13 53.59 3ihg s LEU 483 Cb 0.22 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 3ihg s LEU 483 CO 0.38 -0.19 0.79 -0.89 -1.32 0.00 0.00 176.35 175.12 3ihg s THR 484 N 1.75 4.94 -0.37 3.68 2.01 -0.40 -0.80 115.64 126.45 3ihg s THR 484 Ca 0.02 1.57 -0.01 0.00 0.31 0.00 0.00 61.69 63.57 3ihg s THR 484 Cb -0.14 -4.10 0.10 0.00 0.01 0.00 0.00 72.50 68.36 3ihg s THR 484 CO -0.07 0.10 0.13 -0.62 -0.69 0.00 0.00 174.62 173.47 3ihg s ASP 485 N 1.06 5.09 -0.00 3.53 -1.08 -1.26 -2.86 116.67 121.15 3ihg s ASP 485 Ca 0.38 -1.93 -0.25 0.00 -0.52 0.00 0.00 52.55 50.23 3ihg s ASP 485 Cb -0.17 -1.76 -0.19 0.00 -1.46 0.00 0.00 42.92 39.33 3ihg s ASP 485 CO 0.15 -0.46 1.36 -0.65 0.52 0.00 0.00 175.17 176.08 3ihg h PRO 486 N 7.94 -0.00 -0.00 4.34 0.11 -1.96 -3.20 132.00 139.23 3ihg h PRO 486 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3ihg h PRO 486 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ihg h PRO 486 CO 0.63 0.40 -0.05 -0.85 -0.21 0.00 0.00 178.00 177.91 3ihg n GLU 487 N -4.90 0.20 -3.39 1.05 0.28 -1.26 -4.95 120.64 107.67 3ihg n GLU 487 Ca -0.08 -0.02 -0.17 0.00 -0.16 0.00 0.00 57.16 56.73 3ihg n GLU 487 Cb 0.21 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 31.67 3ihg n GLU 487 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3ihg n SER 488 N -1.38 -2.65 -0.01 -1.84 7.64 -1.21 -4.97 113.62 109.20 3ihg n SER 488 Ca 0.10 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.35 3ihg n SER 488 Cb 0.30 -5.09 0.00 0.00 -1.01 0.00 0.00 64.21 58.41 3ihg n SER 488 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ihg n ALA 489 N -3.98 2.50 -0.03 -0.43 0.00 -1.26 -4.65 120.51 112.66 3ihg n ALA 489 Ca -0.26 -0.50 -0.15 0.00 0.00 0.00 0.00 53.44 52.53 3ihg n ALA 489 Cb 0.66 -0.01 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 3ihg n ALA 489 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ihg h VAL 490 N 0.03 1.49 -0.24 0.00 2.07 -1.95 -2.05 116.25 115.60 3ihg h VAL 490 Ca 0.00 -1.81 0.06 0.00 0.82 0.00 0.00 66.70 65.77 3ihg h VAL 490 Cb 0.01 2.55 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 3ihg h VAL 490 CO 0.00 0.50 -0.29 0.28 0.02 0.00 0.00 177.57 178.08 3ihg h SER 491 N -0.36 -0.93 -0.19 0.57 0.02 -1.84 -1.74 113.55 109.09 3ihg h SER 491 Ca -0.03 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3ihg h SER 491 Cb 0.96 0.42 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 3ihg h SER 491 CO 0.05 -0.32 -0.02 -0.08 -1.14 0.00 0.00 176.83 175.33 3ihg h GLU 492 N -0.31 0.34 -0.28 3.45 4.81 -1.83 0.35 114.58 121.12 3ihg h GLU 492 Ca 0.13 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 3ihg h GLU 492 Cb 0.51 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3ihg h GLU 492 CO -0.41 0.57 -0.33 0.00 -0.73 0.00 0.00 179.01 178.11 3ihg h ARG 493 N 0.08 0.59 0.00 1.92 2.47 -1.17 -2.98 114.38 115.29 3ihg h ARG 493 Ca 0.05 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 3ihg h ARG 493 Cb 0.43 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3ihg h ARG 493 CO 0.01 0.84 -0.44 1.88 0.56 0.00 0.00 179.97 182.83 3ihg h TYR 494 N 0.50 0.00 -3.64 3.04 -1.99 -1.37 -2.83 116.97 110.69 3ihg h TYR 494 Ca 0.06 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.56 3ihg h TYR 494 Cb 0.81 0.00 0.08 0.00 2.00 0.00 0.00 36.73 39.62 3ihg h TYR 494 CO 0.03 0.00 -0.38 0.41 -0.00 0.00 0.00 178.16 178.23 3ihg n GLY 495 N 1.32 0.11 0.40 3.88 0.00 0.93 -4.65 105.19 107.18 3ihg n GLY 495 Ca 0.04 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.97 3ihg n GLY 495 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ihg n ILE 496 N -3.90 0.00 -3.58 -0.61 -5.35 0.52 -4.06 119.36 102.38 3ihg n ILE 496 Ca 0.00 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3ihg n ILE 496 Cb 0.54 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 3ihg n ILE 496 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ihg n GLY 497 N 1.06 0.96 0.08 3.28 0.00 -1.24 -0.47 105.19 108.86 3ihg n GLY 497 Ca 0.07 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 3ihg n GLY 497 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihg h LYS 498 N 0.00 0.10 0.00 1.61 1.57 -1.95 -3.41 116.57 114.49 3ihg h LYS 498 Ca 0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3ihg h LYS 498 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3ihg h LYS 498 CO 0.00 0.98 -1.27 0.00 -0.57 0.00 0.00 179.45 178.59 3ihg n ALA 499 N -2.48 2.62 -1.00 3.86 0.00 -1.24 -0.89 120.51 121.37 3ihg n ALA 499 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3ihg n ALA 499 Cb 0.99 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3ihg n ALA 499 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihg n GLY 500 N 1.74 -2.34 3.48 0.00 0.00 0.38 -4.18 105.19 104.28 3ihg n GLY 500 Ca -0.01 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.44 3ihg n GLY 500 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihg s ALA 501 N -2.97 -1.70 -0.05 4.61 0.00 -0.79 -1.01 121.76 119.84 3ihg s ALA 501 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3ihg s ALA 501 Cb 0.00 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.55 3ihg s ALA 501 CO 0.00 -0.57 -0.02 0.45 0.00 0.00 0.00 175.76 175.61 3ihg s SER 502 N -2.00 1.11 -0.23 0.00 0.15 0.42 -0.79 113.70 112.36 3ihg s SER 502 Ca -0.04 -0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.41 3ihg s SER 502 Cb -0.01 -0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 63.83 3ihg s SER 502 CO -0.02 -0.11 0.15 -0.22 1.20 0.00 0.00 173.24 174.23 3ihg s LEU 503 N 1.29 4.08 -0.15 3.45 2.96 -0.11 -1.13 118.68 129.06 3ihg s LEU 503 Ca -0.05 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3ihg s LEU 503 Cb -0.13 -2.09 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 3ihg s LEU 503 CO -0.02 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.24 3ihg s VAL 504 N 0.94 2.63 0.94 1.68 1.01 0.96 -0.73 120.40 127.83 3ihg s VAL 504 Ca 0.07 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 3ihg s VAL 504 Cb -0.13 -2.10 0.24 0.00 0.00 0.00 0.00 36.38 34.38 3ihg s VAL 504 CO 0.03 0.52 0.76 0.54 0.00 0.00 0.00 175.10 176.96 3ihg n ARG 505 N 4.00 -2.91 0.16 2.72 1.74 -0.16 -1.20 116.66 121.01 3ihg n ARG 505 Ca -0.19 -1.23 0.13 0.00 -0.77 0.00 0.00 57.85 55.79 3ihg n ARG 505 Cb 0.52 -1.24 0.52 0.00 -1.02 0.00 0.00 32.46 31.24 3ihg n ARG 505 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3ihg h PRO 506 N 0.00 0.00 -0.02 5.56 0.11 -1.88 -2.84 132.00 132.92 3ihg h PRO 506 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ihg h PRO 506 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3ihg h PRO 506 CO 0.19 0.00 -0.08 -0.40 -0.21 0.00 0.00 178.00 177.50 3ihg n ASP 507 N -2.44 2.45 0.00 -2.05 5.75 -1.26 -3.91 116.55 115.09 3ihg n ASP 507 Ca 0.02 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 3ihg n ASP 507 Cb 0.26 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3ihg n ASP 507 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ihg n GLY 508 N 1.14 0.95 3.82 6.12 0.00 -1.07 -5.01 105.19 111.13 3ihg n GLY 508 Ca 0.11 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3ihg n GLY 508 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihg s ILE 509 N -2.00 4.89 -0.19 -0.61 -1.09 -1.26 -0.61 121.20 120.33 3ihg s ILE 509 Ca 0.00 -0.43 -0.21 0.00 -2.23 0.00 0.00 60.65 57.78 3ihg s ILE 509 Cb 0.00 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 3ihg s ILE 509 CO 0.00 0.28 0.62 -0.69 -1.23 0.00 0.00 174.94 173.92 3ihg s VAL 510 N -1.29 5.03 -0.12 2.92 1.01 0.15 -0.99 120.40 127.12 3ihg s VAL 510 Ca 0.26 1.18 0.17 0.00 0.00 0.00 0.00 61.98 63.59 3ihg s VAL 510 Cb -0.12 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 3ihg s VAL 510 CO 0.18 0.13 0.80 0.00 0.00 0.00 0.00 175.10 176.21 3ihg n ALA 511 N 4.90 1.92 -3.60 5.51 0.00 0.09 0.10 120.51 129.44 3ihg n ALA 511 Ca -0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 53.44 52.80 3ihg n ALA 511 Cb 0.50 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 3ihg n ALA 511 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ihg s TRP 512 N -2.92 -0.22 0.20 0.00 -0.00 -1.21 -0.39 118.94 114.40 3ihg s TRP 512 Ca -0.03 0.34 -0.23 0.00 -0.00 0.00 0.00 56.10 56.18 3ihg s TRP 512 Cb 0.09 0.48 0.05 0.00 -0.00 0.00 0.00 33.47 34.08 3ihg s TRP 512 CO 0.81 -0.22 0.70 -0.98 -0.00 0.00 0.00 176.95 177.27 3ihg s ARG 513 N -1.30 1.47 0.01 5.86 1.70 -1.26 -0.94 118.95 124.49 3ihg s ARG 513 Ca 0.04 -0.70 -0.07 0.00 -0.47 0.00 0.00 55.73 54.52 3ihg s ARG 513 Cb -0.01 0.57 -0.00 0.00 -0.57 0.00 0.00 34.95 34.94 3ihg s ARG 513 CO -0.03 -0.66 0.13 0.99 -1.08 0.00 0.00 175.30 174.65 3ihg s THR 514 N -3.74 0.09 -0.63 4.99 2.01 0.03 -4.98 115.64 113.40 3ihg s THR 514 Ca 0.07 -0.75 0.16 0.00 0.31 0.00 0.00 61.69 61.48 3ihg s THR 514 Cb -0.03 -0.49 0.64 0.00 0.01 0.00 0.00 72.50 72.62 3ihg s THR 514 CO -0.03 -0.41 1.55 -0.90 -0.69 0.00 0.00 174.62 174.15 3ihg n ASP 515 N 1.35 4.52 -2.68 3.53 5.68 -1.26 -1.88 116.55 125.81 3ihg n ASP 515 Ca -0.22 -2.66 -0.13 0.00 -0.50 0.00 0.00 54.79 51.27 3ihg n ASP 515 Cb 0.56 -0.55 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 3ihg n ASP 515 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3ihg n GLU 516 N 0.47 0.48 -3.33 0.11 0.28 -1.26 -4.22 120.64 113.17 3ihg n GLU 516 Ca 0.23 -2.42 -0.33 0.00 -0.16 0.00 0.00 57.16 54.49 3ihg n GLU 516 Cb 0.91 2.19 -0.06 0.00 1.43 0.00 0.00 31.44 35.91 3ihg n GLU 516 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ihg s ALA 517 N -2.75 3.50 0.53 -1.84 0.00 -1.26 -3.32 121.76 116.62 3ihg s ALA 517 Ca 0.27 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 3ihg s ALA 517 Cb 0.00 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 3ihg s ALA 517 CO 0.19 0.45 0.83 0.00 0.00 0.00 0.00 175.76 177.23 3ihg s ALA 518 N -1.82 3.40 0.12 0.00 0.00 -1.26 -4.99 121.76 117.20 3ihg s ALA 518 Ca 0.48 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.56 3ihg s ALA 518 Cb -0.11 -2.54 -0.07 0.00 0.00 0.00 0.00 23.12 20.40 3ihg s ALA 518 CO 0.20 -0.59 1.76 0.00 0.00 0.00 0.00 175.76 177.13 3ihg h ALA 519 N 0.04 0.20 -3.05 0.00 0.00 -2.05 -3.40 119.26 111.00 3ihg h ALA 519 Ca -0.46 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 53.98 3ihg h ALA 519 Cb 1.24 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.59 3ihg h ALA 519 CO 0.61 -0.34 -0.75 0.34 0.00 0.00 0.00 179.25 179.10 3ihg s ASP 520 N -5.31 2.46 0.33 0.00 -1.08 -1.26 -5.02 116.67 106.80 3ihg s ASP 520 Ca -0.13 -0.67 0.08 0.00 -0.52 0.00 0.00 52.55 51.30 3ihg s ASP 520 Cb 0.08 -0.27 0.59 0.00 -1.46 0.00 0.00 42.92 41.86 3ihg s ASP 520 CO 0.69 -0.35 1.79 0.00 0.52 0.00 0.00 175.17 177.82 3ihg h ALA 521 N 8.41 1.28 0.10 3.66 0.00 -1.92 -2.21 119.26 128.57 3ihg h ALA 521 Ca -0.15 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 3ihg h ALA 521 Cb 1.14 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.86 3ihg h ALA 521 CO 0.30 0.49 -1.12 0.00 0.00 0.00 0.00 179.25 178.93 3ihg h ALA 522 N 1.49 0.00 -0.10 0.00 0.00 -1.91 -1.39 119.26 117.35 3ihg h ALA 522 Ca 0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 3ihg h ALA 522 Cb 0.62 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ihg h ALA 522 CO 0.04 0.62 0.02 0.37 0.00 0.00 0.00 179.25 180.30 3ihg h GLN 523 N 0.19 0.15 -0.36 0.00 4.15 -1.96 -0.66 115.11 116.61 3ihg h GLN 523 Ca -0.17 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.27 3ihg h GLN 523 Cb 1.80 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 29.43 3ihg h GLN 523 CO 0.21 0.34 0.09 1.15 -1.93 0.00 0.00 178.83 178.69 3ihg h THR 524 N -0.06 0.84 -0.15 2.39 2.02 -1.48 -1.55 112.91 114.93 3ihg h THR 524 Ca 0.03 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 3ihg h THR 524 Cb 0.25 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3ihg h THR 524 CO 0.00 0.04 -0.36 0.25 0.37 0.00 0.00 175.52 175.82 3ihg h LEU 525 N 0.21 0.31 -0.56 2.58 5.85 -1.19 -0.98 115.31 121.54 3ihg h LEU 525 Ca 0.17 -0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 3ihg h LEU 525 Cb 0.18 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3ihg h LEU 525 CO -0.21 0.65 -0.65 -0.08 -0.34 0.00 0.00 178.44 177.81 3ihg h GLU 526 N 0.26 0.00 -0.11 1.25 4.81 -1.00 -2.05 114.58 117.75 3ihg h GLU 526 Ca 0.03 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 3ihg h GLU 526 Cb 0.76 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.15 3ihg h GLU 526 CO 0.06 0.65 -0.86 0.78 -0.73 0.00 0.00 179.01 178.91 3ihg h GLY 527 N 2.30 0.86 0.94 1.92 0.00 -0.95 -0.66 103.07 107.48 3ihg h GLY 527 Ca -0.01 -1.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.03 3ihg h GLY 527 CO 0.08 1.14 0.15 -2.08 0.00 0.00 0.00 176.54 175.83 3ihg h VAL 528 N 0.50 1.14 -0.37 4.60 2.07 -1.20 -2.23 116.25 120.75 3ihg h VAL 528 Ca -0.08 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 66.89 3ihg h VAL 528 Cb 1.50 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3ihg h VAL 528 CO 0.17 0.14 -0.40 -0.07 0.02 0.00 0.00 177.57 177.43 3ihg h LEU 529 N 0.34 1.00 -1.24 2.57 3.38 -1.41 -2.96 115.31 116.99 3ihg h LEU 529 Ca 0.10 -0.46 0.12 0.00 0.09 0.00 0.00 57.88 57.72 3ihg h LEU 529 Cb 0.10 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 3ihg h LEU 529 CO -0.01 1.26 0.57 0.03 0.09 0.00 0.00 178.44 180.38 3ihg h ARG 530 N 0.75 0.77 0.28 1.13 3.08 -1.08 -2.02 114.38 117.28 3ihg h ARG 530 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3ihg h ARG 530 Cb 1.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3ihg h ARG 530 CO 0.10 0.51 -0.13 -0.09 -1.07 0.00 0.00 179.97 179.28 3ihg h ARG 531 N 0.79 -0.36 0.00 0.04 2.43 -1.36 0.41 114.38 116.33 3ihg h ARG 531 Ca 0.42 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.58 3ihg h ARG 531 Cb 0.54 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3ihg h ARG 531 CO -0.19 -0.07 -0.18 -0.39 -1.51 0.00 0.00 179.97 177.63 3ihg h VAL 532 N -1.00 0.64 -0.16 0.20 -1.51 -1.54 -1.19 116.25 111.69 3ihg h VAL 532 Ca -0.04 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 3ihg h VAL 532 Cb 0.45 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3ihg h VAL 532 CO 0.06 0.17 0.00 0.18 -1.23 0.00 0.00 177.57 176.76 3ihg n LEU 533 N -3.62 1.86 -3.74 4.19 4.77 -0.76 -4.62 117.00 115.08 3ihg n LEU 533 Ca -0.01 -0.75 -0.25 0.00 -0.03 0.00 0.00 56.01 54.97 3ihg n LEU 533 Cb 0.31 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 3ihg n LEU 533 CO 0.32 0.38 0.08 -0.67 -1.33 0.00 0.00 177.39 176.16 3ihg n ASP 534 N 0.45 -3.60 -0.44 -1.43 4.64 -0.45 -0.65 116.55 115.08 3ihg n ASP 534 Ca 0.17 -0.73 0.06 0.00 -1.38 0.00 0.00 54.79 52.90 3ihg n ASP 534 Cb 0.37 -4.27 0.05 0.00 -1.04 0.00 0.00 41.12 36.22 3ihg n ASP 534 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92