#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 7.21 0.31 7.83 -0.87 -1.26 -5.01 114.94 123.14 3ihg s ASN 2 Ca 0.00 2.03 -0.29 0.00 -1.57 0.00 0.00 52.86 53.03 3ihg s ASN 2 Cb 0.00 -2.59 -0.12 0.00 -0.02 0.00 0.00 41.25 38.51 3ihg s ASN 2 CO 0.00 -0.31 1.39 -0.67 -2.57 0.00 0.00 177.10 174.94 3ihg n ASP 3 N 3.01 3.00 -4.54 -1.22 2.03 -1.26 -4.93 116.55 112.64 3ihg n ASP 3 Ca 0.05 1.18 -0.37 0.00 0.52 0.00 0.00 54.79 56.17 3ihg n ASP 3 Cb 0.47 -1.49 0.05 0.00 -0.72 0.00 0.00 41.12 39.43 3ihg n ASP 3 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3ihg n HIS 4 N 1.10 -0.02 0.07 -0.67 8.25 -1.26 -4.89 115.22 117.80 3ihg n HIS 4 Ca 0.07 0.42 -0.04 0.00 -0.26 0.00 0.00 57.72 57.91 3ihg n HIS 4 Cb 0.35 -2.03 -0.08 0.00 1.12 0.00 0.00 29.99 29.35 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 0.16 0.00 -3.50 -0.41 5.08 -1.68 -3.46 114.58 110.77 3ihg h GLU 5 Ca -0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.76 3ihg h GLU 5 Cb 1.37 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.43 3ihg h GLU 5 CO 0.48 0.79 -0.43 0.54 -1.00 0.00 0.00 179.01 179.38 3ihg s VAL 6 N -2.78 0.09 -0.09 3.13 0.11 -1.13 -5.06 120.40 114.68 3ihg s VAL 6 Ca 0.01 -0.78 -0.20 0.00 -2.93 0.00 0.00 61.98 58.08 3ihg s VAL 6 Cb 0.09 -0.67 -0.28 0.00 -1.53 0.00 0.00 36.38 33.99 3ihg s VAL 6 CO 0.80 -0.43 0.69 0.44 -3.33 0.00 0.00 175.10 173.27 3ihg h ASP 7 N 3.87 0.35 -3.41 3.54 3.32 -1.22 -2.84 116.42 120.03 3ihg h ASP 7 Ca -0.31 -0.88 -0.51 0.00 0.02 0.00 0.00 57.03 55.34 3ihg h ASP 7 Cb 1.19 -0.11 -0.34 0.00 0.22 0.00 0.00 39.33 40.29 3ihg h ASP 7 CO 0.44 1.45 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.91 3ihg s VAL 8 N -2.42 1.12 -0.37 -1.35 1.01 -0.81 -1.14 120.40 116.44 3ihg s VAL 8 Ca -0.18 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3ihg s VAL 8 Cb 0.02 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.39 3ihg s VAL 8 CO 0.77 0.35 0.22 -0.22 0.00 0.00 0.00 175.10 176.23 3ihg s LEU 9 N 0.71 4.70 -0.16 3.92 2.96 -0.43 -1.55 118.68 128.84 3ihg s LEU 9 Ca -0.14 -0.84 -0.11 0.00 -0.22 0.00 0.00 54.13 52.82 3ihg s LEU 9 Cb -0.16 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 3ihg s LEU 9 CO 0.03 -0.36 0.22 -0.69 -1.32 0.00 0.00 176.35 174.23 3ihg s VAL 10 N 1.61 5.36 -0.30 1.68 1.01 0.14 -0.71 120.40 129.18 3ihg s VAL 10 Ca 0.03 0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 3ihg s VAL 10 Cb -0.19 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3ihg s VAL 10 CO 0.08 0.46 0.00 -0.69 0.00 0.00 0.00 175.10 174.95 3ihg s VAL 11 N 0.06 3.04 0.00 2.92 1.01 -0.19 -1.02 120.40 126.22 3ihg s VAL 11 Ca 0.14 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.78 3ihg s VAL 11 Cb -0.12 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3ihg s VAL 11 CO 0.03 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3ihg n GLY 12 N 4.64 2.69 0.34 4.51 0.00 0.53 -0.90 105.19 117.00 3ihg n GLY 12 Ca -0.13 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 1.04 2.69 -1.00 4.61 0.00 -1.26 -4.32 120.51 122.26 3ihg n ALA 13 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.74 3ihg n ALA 13 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.13 -1.04 0.08 0.00 0.00 -1.26 -4.70 105.19 97.14 3ihg n GLY 14 Ca 0.15 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 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 0.13 -0.11 0.99 3.38 -1.93 -1.76 115.31 116.01 3ihg h LEU 15 Ca 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3ihg h LEU 15 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ihg h LEU 15 CO 0.00 1.13 -0.00 1.23 0.09 0.00 0.00 178.44 180.88 3ihg h GLY 16 N 2.65 0.21 1.05 0.83 0.00 -1.89 -2.40 103.07 103.51 3ihg h GLY 16 Ca -0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3ihg h GLY 16 CO 0.14 0.14 0.22 -1.33 0.00 0.00 0.00 176.54 175.71 3ihg h GLY 17 N -0.09 1.19 1.23 4.60 0.00 -1.74 -2.26 103.07 106.00 3ihg h GLY 17 Ca 0.03 -0.71 -0.21 0.00 0.00 0.00 0.00 47.33 46.44 3ihg h GLY 17 CO 0.01 0.66 -0.70 1.41 0.00 0.00 0.00 176.54 177.92 3ihg h LEU 18 N 1.05 0.89 0.46 3.11 3.38 -1.36 -1.45 115.31 121.41 3ihg h LEU 18 Ca 0.23 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3ihg h LEU 18 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3ihg h LEU 18 CO -0.01 1.34 -0.52 -1.28 0.09 0.00 0.00 178.44 178.07 3ihg h SER 19 N 0.55 -1.44 -0.61 -0.43 0.87 -1.44 0.32 113.55 111.38 3ihg h SER 19 Ca -0.03 0.12 0.12 0.00 -1.23 0.00 0.00 61.79 60.77 3ihg h SER 19 Cb 1.31 0.48 -0.12 0.00 -0.44 0.00 0.00 62.40 63.64 3ihg h SER 19 CO 0.14 -0.66 -0.25 0.74 -0.53 0.00 0.00 176.83 176.27 3ihg h THR 20 N -0.99 0.25 0.01 2.23 2.02 -1.41 0.92 112.91 115.95 3ihg h THR 20 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3ihg h THR 20 Cb 0.87 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3ihg h THR 20 CO -0.09 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.79 3ihg h ALA 21 N 1.30 -0.02 -0.22 6.16 0.00 -1.11 -0.32 119.26 125.05 3ihg h ALA 21 Ca 0.27 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3ihg h ALA 21 Cb 0.52 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3ihg h ALA 21 CO -0.67 -0.43 -0.27 1.98 0.00 0.00 0.00 179.25 179.86 3ihg h MET 22 N -0.18 -0.28 0.00 0.00 -1.53 0.16 0.26 114.93 113.36 3ihg h MET 22 Ca -0.00 0.02 -0.07 0.00 -3.44 0.00 0.00 59.70 56.21 3ihg h MET 22 Cb 0.17 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.28 3ihg h MET 22 CO 0.00 -0.19 -0.32 0.74 0.14 0.00 0.00 176.91 177.28 3ihg h PHE 23 N -0.30 0.00 -0.16 1.39 0.04 -0.79 -2.30 116.94 114.81 3ihg h PHE 23 Ca 0.13 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.69 3ihg h PHE 23 Cb 0.49 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.65 3ihg h PHE 23 CO -0.41 0.32 -0.72 -0.07 -0.60 0.00 0.00 178.31 176.82 3ihg h LEU 24 N 0.00 0.92 -0.53 1.54 3.38 -0.09 -3.27 115.31 117.26 3ihg h LEU 24 Ca -0.00 -0.62 -0.13 0.00 0.09 0.00 0.00 57.88 57.22 3ihg h LEU 24 Cb 0.76 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3ihg h LEU 24 CO 0.04 1.39 -0.18 0.00 0.09 0.00 0.00 178.44 179.78 3ihg h ALA 25 N 0.55 0.73 0.00 1.53 0.00 -0.31 -1.16 119.26 120.60 3ihg h ALA 25 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3ihg h ALA 25 Cb 1.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ihg h ALA 25 CO 0.15 0.67 0.07 0.00 0.00 0.00 0.00 179.25 180.14 3ihg h ARG 26 N 0.87 0.00 -0.26 0.00 3.08 -1.47 -0.24 114.38 116.36 3ihg h ARG 26 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3ihg h ARG 26 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3ihg h ARG 26 CO 0.06 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 180.00 3ihg n GLN 27 N -2.64 2.36 -0.52 0.04 1.13 -0.47 -4.94 117.38 112.35 3ihg n GLN 27 Ca -0.02 -2.12 0.00 0.00 -1.94 0.00 0.00 57.00 52.92 3ihg n GLN 27 Cb 0.11 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 1.39 0.72 3.69 1.08 0.00 -0.10 -5.04 105.19 106.91 3ihg n GLY 28 Ca 0.17 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 4.98 -0.40 1.61 1.01 -1.05 -5.02 120.40 119.53 3ihg s VAL 29 Ca 0.00 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.15 3ihg s VAL 29 Cb 0.00 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 3ihg s VAL 29 CO 0.00 0.14 1.71 -0.13 0.00 0.00 0.00 175.10 176.82 3ihg s ARG 30 N 1.52 3.27 0.02 2.72 0.52 -1.26 -4.24 118.95 121.49 3ihg s ARG 30 Ca 0.36 1.16 0.05 0.00 -0.52 0.00 0.00 55.73 56.78 3ihg s ARG 30 Cb -0.17 -4.19 -0.02 0.00 0.52 0.00 0.00 34.95 31.09 3ihg s ARG 30 CO 0.14 -1.94 -0.16 0.54 0.02 0.00 0.00 175.30 173.90 3ihg s VAL 31 N 6.91 1.26 -0.06 3.52 0.11 -1.26 -0.68 120.40 130.21 3ihg s VAL 31 Ca 0.73 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 3ihg s VAL 31 Cb -0.18 -1.09 0.02 0.00 -1.53 0.00 0.00 36.38 33.59 3ihg s VAL 31 CO 0.31 0.20 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.98 3ihg s LEU 32 N -0.79 1.42 -0.12 2.54 2.96 -0.59 -2.50 118.68 121.59 3ihg s LEU 32 Ca 0.05 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3ihg s LEU 32 Cb -0.07 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 3ihg s LEU 32 CO 0.01 -0.03 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.24 3ihg s VAL 33 N 0.89 3.61 -0.01 1.68 1.01 -0.46 -0.68 120.40 126.43 3ihg s VAL 33 Ca -0.11 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.47 3ihg s VAL 33 Cb -0.15 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3ihg s VAL 33 CO 0.01 0.53 -0.24 0.68 0.00 0.00 0.00 175.10 176.08 3ihg s VAL 34 N 0.03 1.86 -0.06 2.92 -7.23 -0.19 -0.27 120.40 117.46 3ihg s VAL 34 Ca -0.01 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 59.09 3ihg s VAL 34 Cb -0.14 -1.55 0.04 0.00 0.56 0.00 0.00 36.38 35.29 3ihg s VAL 34 CO 0.03 0.50 0.12 -0.70 -0.31 0.00 0.00 175.10 174.74 3ihg s GLU 35 N -0.62 0.01 0.29 4.82 2.56 -0.78 -0.35 118.70 124.62 3ihg s GLU 35 Ca 0.09 0.45 -0.01 0.00 0.00 0.00 0.00 54.97 55.50 3ihg s GLU 35 Cb -0.09 -0.31 0.42 0.00 2.00 0.00 0.00 34.13 36.15 3ihg s GLU 35 CO -0.01 -0.27 1.84 0.07 -0.56 0.00 0.00 175.26 176.33 3ihg h ARG 36 N 8.06 0.82 -7.07 4.30 0.11 -1.69 0.34 114.38 119.24 3ihg h ARG 36 Ca -0.22 -0.16 -0.53 0.00 0.10 0.00 0.00 59.98 59.17 3ihg h ARG 36 Cb 1.12 -0.13 0.12 0.00 1.11 0.00 0.00 29.97 32.19 3ihg h ARG 36 CO 0.23 0.73 0.51 1.03 0.10 0.00 0.00 179.97 182.57 3ihg s ARG 37 N -5.24 3.09 0.09 0.08 0.52 -1.26 -3.32 118.95 112.91 3ihg s ARG 37 Ca -0.10 1.94 0.17 0.00 -0.52 0.00 0.00 55.73 57.22 3ihg s ARG 37 Cb 0.16 -2.07 0.73 0.00 0.52 0.00 0.00 34.95 34.29 3ihg s ARG 37 CO 0.80 -1.14 1.53 -2.30 0.02 0.00 0.00 175.30 174.21 3ihg n PRO 38 N -1.32 0.07 -3.57 3.54 -0.02 -1.26 -0.92 135.00 131.52 3ihg n PRO 38 Ca 0.12 0.33 -0.06 0.00 -2.02 0.00 0.00 63.50 61.87 3ihg n PRO 38 Cb 0.48 -1.64 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 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 -3.20 -0.32 0.50 -1.23 0.00 -1.26 -4.72 107.32 97.08 3ihg s GLY 39 Ca 0.06 1.53 -0.24 0.00 0.00 0.00 0.00 44.72 46.07 3ihg s GLY 39 CO 0.30 0.55 1.40 1.08 0.00 0.00 0.00 173.10 176.43 3ihg s LEU 40 N -2.11 3.99 0.22 0.66 1.43 -1.26 -4.95 118.68 116.66 3ihg s LEU 40 Ca 0.07 2.86 -0.30 0.00 -1.03 0.00 0.00 54.13 55.73 3ihg s LEU 40 Cb -0.01 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 42.04 3ihg s LEU 40 CO -0.06 -1.37 1.22 -0.55 0.23 0.00 0.00 176.35 175.82 3ihg s SER 41 N -0.70 7.04 0.00 2.29 0.15 -1.26 -4.95 113.70 116.28 3ihg s SER 41 Ca 0.66 2.33 0.28 0.00 0.70 0.00 0.00 55.95 59.92 3ihg s SER 41 Cb -0.42 -2.62 1.15 0.00 -1.71 0.00 0.00 66.02 62.42 3ihg s SER 41 CO 0.53 -0.38 1.86 -0.81 1.20 0.00 0.00 173.24 175.64 3ihg n PRO 42 N 2.09 0.02 -2.34 5.44 -0.04 -1.26 -4.57 135.00 134.34 3ihg n PRO 42 Ca 0.03 -0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.09 3ihg n PRO 42 Cb 0.44 -1.50 -0.03 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 -2.98 3.29 0.28 0.54 2.02 -1.26 -4.74 117.35 114.50 3ihg s TYR 43 Ca 0.14 1.58 -0.01 0.00 -0.37 0.00 0.00 57.07 58.41 3ihg s TYR 43 Cb 0.19 -3.41 0.39 0.00 -0.40 0.00 0.00 41.96 38.73 3ihg s TYR 43 CO 0.55 -1.10 1.83 -1.00 -1.57 0.00 0.00 175.55 174.26 3ihg h PRO 44 N 3.33 0.85 0.00 -1.71 0.13 -1.96 -3.34 132.00 129.31 3ihg h PRO 44 Ca -0.48 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3ihg h PRO 44 Cb 1.22 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3ihg h PRO 44 CO 0.65 0.75 0.00 0.54 -0.23 0.00 0.00 178.00 179.71 3ihg n ARG 45 N -4.28 0.00 -2.62 0.86 1.74 -1.26 -1.14 116.66 109.96 3ihg n ARG 45 Ca 0.04 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 3ihg n ARG 45 Cb 0.22 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.63 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 -1.14 3.35 0.25 7.54 0.00 -1.26 -4.73 121.76 125.76 3ihg s ALA 46 Ca 0.00 0.52 0.12 0.00 0.00 0.00 0.00 51.96 52.60 3ihg s ALA 46 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3ihg s ALA 46 CO 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 175.76 175.04 3ihg s ALA 47 N 1.65 2.67 0.00 0.00 0.00 -1.26 -1.74 121.76 123.08 3ihg s ALA 47 Ca 0.52 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3ihg s ALA 47 Cb -0.22 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3ihg s ALA 47 CO 0.23 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.74 3ihg n GLY 48 N -0.28 -1.87 3.21 0.00 0.00 -0.70 -4.95 105.19 100.60 3ihg n GLY 48 Ca -0.08 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 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 -4.79 3.15 0.81 1.61 1.11 0.25 -4.74 119.66 117.05 3ihg s GLN 49 Ca 0.00 -0.75 -0.10 0.00 0.01 0.00 0.00 55.36 54.52 3ihg s GLN 49 Cb 0.00 -2.81 0.12 0.00 -1.01 0.00 0.00 33.01 29.31 3ihg s GLN 49 CO 0.00 -0.22 1.14 0.54 0.01 0.00 0.00 175.29 176.76 3ihg s ASN 50 N 1.38 4.16 0.54 5.90 2.20 -1.26 -1.02 114.94 126.84 3ihg s ASN 50 Ca 0.05 0.35 0.23 0.00 -0.94 0.00 0.00 52.86 52.55 3ihg s ASN 50 Cb -0.14 -0.74 1.50 0.00 -2.00 0.00 0.00 41.25 39.87 3ihg s ASN 50 CO -0.08 -2.05 2.17 -0.65 -2.94 0.00 0.00 177.10 173.56 3ihg h PRO 51 N -1.00 0.00 -0.08 3.55 0.11 -1.82 0.11 132.00 132.86 3ihg h PRO 51 Ca -0.44 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.49 3ihg h PRO 51 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 3ihg h PRO 51 CO 0.52 0.03 -0.65 -0.09 -0.21 0.00 0.00 178.00 177.60 3ihg h ARG 52 N 0.00 0.59 -0.63 1.05 9.65 -1.85 -1.97 114.38 121.21 3ihg h ARG 52 Ca -0.00 -0.52 -0.01 0.00 -1.10 0.00 0.00 59.98 58.35 3ihg h ARG 52 Cb 0.07 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 3ihg h ARG 52 CO 0.00 1.14 0.36 1.15 2.80 0.00 0.00 179.97 185.43 3ihg h THR 53 N 0.21 1.19 0.00 0.20 2.02 -1.73 -2.35 112.91 112.45 3ihg h THR 53 Ca -0.06 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3ihg h THR 53 Cb 1.31 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3ihg h THR 53 CO 0.13 0.20 -0.08 0.24 0.37 0.00 0.00 175.52 176.38 3ihg h MET 54 N 0.85 0.00 -0.50 6.66 2.86 -0.81 0.13 114.93 124.13 3ihg h MET 54 Ca 0.22 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.78 3ihg h MET 54 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3ihg h MET 54 CO -0.04 0.08 -0.02 0.93 1.06 0.00 0.00 176.91 178.92 3ihg h GLU 55 N 0.00 0.85 0.23 1.72 5.08 -0.82 -2.18 114.58 119.46 3ihg h GLU 55 Ca -0.00 -0.25 -0.33 0.00 -1.00 0.00 0.00 59.36 57.78 3ihg h GLU 55 Cb 0.16 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.36 3ihg h GLU 55 CO 0.01 0.87 -1.46 -0.07 -1.00 0.00 0.00 179.01 177.36 3ihg h LEU 56 N 0.78 0.77 -1.50 1.33 3.38 -1.09 -2.51 115.31 116.47 3ihg h LEU 56 Ca 0.15 -0.83 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 3ihg h LEU 56 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ihg h LEU 56 CO 0.03 1.66 -0.10 -0.07 0.09 0.00 0.00 178.44 180.04 3ihg h LEU 57 N 0.13 0.19 -0.26 1.67 3.38 -0.84 0.21 115.31 119.79 3ihg h LEU 57 Ca -0.24 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3ihg h LEU 57 Cb 2.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 3ihg h LEU 57 CO 0.26 0.32 -0.01 -0.09 0.09 0.00 0.00 178.44 179.01 3ihg h ARG 58 N 0.20 0.47 -1.00 1.13 2.43 -1.42 -1.81 114.38 114.37 3ihg h ARG 58 Ca 0.04 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3ihg h ARG 58 Cb 0.30 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 3ihg h ARG 58 CO 0.02 0.64 0.65 0.82 -1.51 0.00 0.00 179.97 180.59 3ihg h ILE 59 N 0.24 1.12 0.00 1.20 2.04 -0.94 -2.29 117.51 118.87 3ihg h ILE 59 Ca 0.07 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3ihg h ILE 59 Cb 0.44 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 3ihg h ILE 59 CO 0.02 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.00 3ihg n GLY 60 N -1.36 -0.87 2.27 5.37 0.00 0.67 -4.88 105.19 106.37 3ihg n GLY 60 Ca 0.15 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.37 0.92 0.27 -0.02 0.00 -0.86 -4.90 105.19 100.96 3ihg n GLY 61 Ca 0.11 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.96 0.00 -0.20 1.61 0.24 -0.74 -4.77 118.33 111.52 3ihg n VAL 62 Ca -0.10 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.34 61.65 3ihg n VAL 62 Cb 0.37 1.14 0.05 0.00 -1.47 0.00 0.00 33.84 33.93 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 1.35 0.74 -0.74 2.33 0.00 -1.82 -0.35 119.26 120.77 3ihg h ALA 63 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ihg h ALA 63 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3ihg h ALA 63 CO 0.00 0.09 0.26 -0.44 0.00 0.00 0.00 179.25 179.16 3ihg h ASP 64 N 0.70 1.05 -0.27 0.00 3.32 -1.91 -1.27 116.42 118.04 3ihg h ASP 64 Ca 0.23 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3ihg h ASP 64 Cb 0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3ihg h ASP 64 CO -0.09 0.95 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.96 3ihg h GLU 65 N 1.09 0.66 -0.72 3.56 5.08 -1.76 -2.11 114.58 120.39 3ihg h GLU 65 Ca 0.25 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3ihg h GLU 65 Cb 0.26 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3ihg h GLU 65 CO -0.01 0.74 0.35 0.28 -1.00 0.00 0.00 179.01 179.36 3ihg h VAL 66 N 0.61 1.23 -0.02 3.13 2.07 -0.72 -2.33 116.25 120.22 3ihg h VAL 66 Ca 0.11 -0.66 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 3ihg h VAL 66 Cb 0.51 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3ihg h VAL 66 CO 0.03 0.28 -0.53 0.58 0.02 0.00 0.00 177.57 177.94 3ihg h VAL 67 N 1.01 1.38 0.00 2.57 2.07 -1.07 -2.99 116.25 119.22 3ihg h VAL 67 Ca 0.25 -1.82 -0.13 0.00 0.82 0.00 0.00 66.70 65.82 3ihg h VAL 67 Cb 0.11 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3ihg h VAL 67 CO -0.03 0.53 -0.62 0.03 0.02 0.00 0.00 177.57 177.49 3ihg h ARG 68 N 0.05 0.00 -7.33 1.57 3.08 -1.19 -3.47 114.38 107.09 3ihg h ARG 68 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 3ihg h ARG 68 Cb 0.96 0.00 0.14 0.00 0.08 0.00 0.00 29.97 31.14 3ihg h ARG 68 CO 0.07 0.62 0.29 0.00 -1.07 0.00 0.00 179.97 179.89 3ihg s ALA 69 N -3.15 1.97 -0.06 0.04 0.00 -0.89 -4.94 121.76 114.74 3ihg s ALA 69 Ca 0.01 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 3ihg s ALA 69 Cb 0.10 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 3ihg s ALA 69 CO 0.75 -1.99 1.70 -0.51 0.00 0.00 0.00 175.76 175.71 3ihg s ASP 70 N -3.44 6.61 0.14 0.00 1.01 -1.26 -4.97 116.67 114.75 3ihg s ASP 70 Ca 0.62 2.24 0.00 0.00 0.71 0.00 0.00 52.55 56.12 3ihg s ASP 70 Cb -0.17 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.23 3ihg s ASP 70 CO 0.56 -0.98 0.01 -0.90 0.21 0.00 0.00 175.17 174.08 3ihg n ASP 71 N 7.33 0.03 -0.77 0.27 5.68 -1.26 -4.60 116.55 123.22 3ihg n ASP 71 Ca 0.18 -1.02 0.12 0.00 -0.50 0.00 0.00 54.79 53.57 3ihg n ASP 71 Cb 0.43 -0.01 0.11 0.00 -1.14 0.00 0.00 41.12 40.51 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 -1.15 0.00 -0.74 2.12 -5.35 0.64 -4.08 119.36 110.80 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 0.01 1.33 0.18 0.00 -1.74 0.00 0.00 39.64 39.42 3ihg n ILE 72 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3ihg s ARG 73 N -2.16 0.59 1.04 6.28 0.52 -1.26 -4.59 118.95 119.37 3ihg s ARG 73 Ca 0.26 1.27 -0.17 0.00 -0.52 0.00 0.00 55.73 56.57 3ihg s ARG 73 Cb 0.19 -1.70 0.23 0.00 0.52 0.00 0.00 34.95 34.19 3ihg s ARG 73 CO 0.39 -2.83 1.25 0.20 0.02 0.00 0.00 175.30 174.33 3ihg s GLY 74 N -2.74 1.71 0.57 -3.53 0.00 -1.03 -4.87 107.32 97.43 3ihg s GLY 74 Ca 0.66 -1.10 0.33 0.00 0.00 0.00 0.00 44.72 44.61 3ihg s GLY 74 CO 0.60 -0.30 2.17 -0.91 0.00 0.00 0.00 173.10 174.65 3ihg h THR 75 N -1.94 0.35 -0.23 0.90 1.35 -1.96 0.20 112.91 111.57 3ihg h THR 75 Ca -0.45 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3ihg h THR 75 Cb 1.26 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3ihg h THR 75 CO 0.37 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.70 3ihg n GLN 76 N -3.47 1.77 -3.09 4.72 6.02 -1.26 -4.90 117.38 117.17 3ihg n GLN 76 Ca -0.02 -0.92 -0.23 0.00 -0.01 0.00 0.00 57.00 55.82 3ihg n GLN 76 Cb 0.18 -1.35 0.04 0.00 1.02 0.00 0.00 30.24 30.13 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 0.70 -0.53 3.25 1.08 0.00 0.69 -4.99 105.19 105.39 3ihg n GLY 77 Ca 0.08 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.76 1.43 -0.25 1.61 2.15 -1.26 -4.86 116.67 112.72 3ihg s ASP 78 Ca 0.34 -1.14 -0.13 0.00 0.43 0.00 0.00 52.55 52.04 3ihg s ASP 78 Cb -0.15 0.07 0.08 0.00 -0.30 0.00 0.00 42.92 42.63 3ihg s ASP 78 CO 0.42 -0.51 0.60 0.12 -0.17 0.00 0.00 175.17 175.63 3ihg s PHE 79 N -3.55 -0.98 0.01 -5.34 5.36 -1.26 -2.47 117.98 109.76 3ihg s PHE 79 Ca 0.23 1.93 0.08 0.00 -0.96 0.00 0.00 56.93 58.21 3ihg s PHE 79 Cb 0.05 0.56 -0.02 0.00 -0.34 0.00 0.00 43.02 43.26 3ihg s PHE 79 CO 0.04 -0.50 -0.25 0.54 -1.46 0.00 0.00 175.22 173.58 3ihg s VAL 80 N 1.81 2.01 -0.14 3.12 0.11 0.29 -2.47 120.40 125.13 3ihg s VAL 80 Ca -0.09 -1.21 0.02 0.00 -2.93 0.00 0.00 61.98 57.78 3ihg s VAL 80 Cb -0.07 -1.70 0.01 0.00 -1.53 0.00 0.00 36.38 33.09 3ihg s VAL 80 CO -0.18 0.45 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.20 3ihg s ILE 81 N -0.69 2.15 -0.01 7.04 1.01 -0.66 -0.62 121.20 129.41 3ihg s ILE 81 Ca 0.10 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 3ihg s ILE 81 Cb -0.10 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.53 3ihg s ILE 81 CO 0.00 0.55 0.27 -0.13 0.00 0.00 0.00 174.94 175.63 3ihg s ARG 82 N 0.75 0.62 -0.17 2.79 0.52 -0.65 -0.62 118.95 122.20 3ihg s ARG 82 Ca -0.08 -0.22 -0.16 0.00 -0.52 0.00 0.00 55.73 54.75 3ihg s ARG 82 Cb -0.16 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 3ihg s ARG 82 CO -0.00 -0.16 0.38 -0.51 0.02 0.00 0.00 175.30 175.02 3ihg s LEU 83 N -1.29 4.22 0.15 2.53 1.02 0.19 -0.86 118.68 124.64 3ihg s LEU 83 Ca -0.13 0.59 -0.10 0.00 0.02 0.00 0.00 54.13 54.50 3ihg s LEU 83 Cb -0.06 -2.51 -0.00 0.00 0.02 0.00 0.00 46.19 43.64 3ihg s LEU 83 CO 0.04 0.01 0.30 0.00 0.02 0.00 0.00 176.35 176.72 3ihg s ALA 84 N 0.83 -0.21 0.06 4.21 0.00 -0.55 0.11 121.76 126.21 3ihg s ALA 84 Ca 0.20 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 3ihg s ALA 84 Cb -0.14 0.78 -0.27 0.00 0.00 0.00 0.00 23.12 23.49 3ihg s ALA 84 CO 0.07 -0.64 1.08 0.93 0.00 0.00 0.00 175.76 177.20 3ihg h GLU 85 N 2.53 0.22 -3.63 0.00 5.08 -1.70 0.17 114.58 117.24 3ihg h GLU 85 Ca -0.32 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 57.59 3ihg h GLU 85 Cb 1.23 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 30.48 3ihg h GLU 85 CO 0.48 1.14 -0.27 -1.54 -1.00 0.00 0.00 179.01 177.82 3ihg s SER 86 N -7.02 -0.01 0.03 1.42 1.04 -1.26 -3.87 113.70 104.03 3ihg s SER 86 Ca -0.04 -0.50 -0.16 0.00 0.48 0.00 0.00 55.95 55.73 3ihg s SER 86 Cb 0.07 0.38 -0.08 0.00 0.10 0.00 0.00 66.02 66.49 3ihg s SER 86 CO 0.87 -0.75 1.24 0.58 0.98 0.00 0.00 173.24 176.15 3ihg h VAL 87 N 2.70 0.00 -1.61 5.02 2.07 -1.11 -3.27 116.25 120.06 3ihg h VAL 87 Ca -0.34 0.00 -0.70 0.00 0.82 0.00 0.00 66.70 66.48 3ihg h VAL 87 Cb 1.22 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.85 3ihg h VAL 87 CO 0.52 0.00 1.64 0.00 0.02 0.00 0.00 177.57 179.75 3ihg s ARG 88 N -4.23 3.96 0.00 1.57 1.70 -1.26 -4.79 118.95 115.90 3ihg s ARG 88 Ca -0.08 -2.15 0.00 0.00 -0.47 0.00 0.00 55.73 53.02 3ihg s ARG 88 Cb 0.01 -5.25 0.00 0.00 -0.57 0.00 0.00 34.95 29.14 3ihg s ARG 88 CO 0.25 -1.99 0.00 0.41 -1.08 0.00 0.00 175.30 172.89 3ihg n GLY 89 N 4.97 2.09 3.77 3.88 0.00 -1.23 -4.86 105.19 113.81 3ihg n GLY 89 Ca 0.40 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 1.66 3.98 -0.30 1.61 8.01 -1.26 -5.00 118.70 127.39 3ihg s GLU 90 Ca 0.00 -0.17 -0.27 0.00 0.01 0.00 0.00 54.97 54.54 3ihg s GLU 90 Cb 0.00 -3.35 0.01 0.00 -4.31 0.00 0.00 34.13 26.48 3ihg s GLU 90 CO 0.00 0.44 0.95 0.42 0.01 0.00 0.00 175.26 177.07 3ihg s ILE 91 N -0.04 4.65 0.04 -1.63 1.01 -1.26 -3.70 121.20 120.27 3ihg s ILE 91 Ca 0.11 1.52 -0.20 0.00 0.00 0.00 0.00 60.65 62.08 3ihg s ILE 91 Cb -0.11 -4.29 -0.14 0.00 0.01 0.00 0.00 42.46 37.93 3ihg s ILE 91 CO 0.00 -0.35 1.38 -0.07 0.00 0.00 0.00 174.94 175.90 3ihg h LEU 92 N 9.75 0.36 -7.06 2.97 3.38 0.45 -3.47 115.31 121.69 3ihg h LEU 92 Ca -0.22 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 3ihg h LEU 92 Cb 1.08 -0.10 -0.22 0.00 0.09 0.00 0.00 40.66 41.51 3ihg h LEU 92 CO 0.96 0.73 0.03 -0.60 0.09 0.00 0.00 178.44 179.65 3ihg s ARG 93 N -4.45 0.73 -0.38 1.13 3.52 -0.95 -4.98 118.95 113.57 3ihg s ARG 93 Ca -0.14 0.97 -0.16 0.00 -0.13 0.00 0.00 55.73 56.26 3ihg s ARG 93 Cb 0.05 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 3ihg s ARG 93 CO 0.75 -0.11 0.38 0.99 -0.81 0.00 0.00 175.30 176.50 3ihg s THR 94 N 0.66 5.15 -0.01 4.11 2.01 -1.26 0.57 115.64 126.87 3ihg s THR 94 Ca -0.03 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 3ihg s THR 94 Cb -0.05 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3ihg s THR 94 CO -0.04 -0.24 0.58 0.58 -0.69 0.00 0.00 174.62 174.81 3ihg h VAL 95 N 5.62 0.00 -3.34 3.82 2.07 -1.22 -3.44 116.25 119.76 3ihg h VAL 95 Ca -0.28 -0.19 -0.65 0.00 0.82 0.00 0.00 66.70 66.39 3ihg h VAL 95 Cb 1.13 0.00 -0.26 0.00 -1.52 0.00 0.00 31.29 30.64 3ihg h VAL 95 CO 0.73 0.00 -0.73 -0.55 0.02 0.00 0.00 177.57 177.04 3ihg s SER 96 N -3.37 4.27 0.16 0.57 0.15 -0.83 -4.98 113.70 109.68 3ihg s SER 96 Ca -0.04 -0.31 -0.08 0.00 0.70 0.00 0.00 55.95 56.23 3ihg s SER 96 Cb 0.00 -1.69 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 3ihg s SER 96 CO 0.11 0.11 1.49 -0.08 1.20 0.00 0.00 173.24 176.06 3ihg h GLU 97 N 7.15 0.82 -3.29 5.44 4.57 -1.86 -1.74 114.58 125.67 3ihg h GLU 97 Ca -0.32 -0.46 0.01 0.00 -1.18 0.00 0.00 59.36 57.41 3ihg h GLU 97 Cb 1.19 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.73 3ihg h GLU 97 CO 0.59 1.09 0.07 -1.54 -1.18 0.00 0.00 179.01 178.04 3ihg s SER 98 N -6.87 -0.20 0.10 1.04 1.04 -1.26 -4.73 113.70 102.82 3ihg s SER 98 Ca -0.10 -0.71 -0.16 0.00 0.48 0.00 0.00 55.95 55.47 3ihg s SER 98 Cb 0.11 0.65 -0.07 0.00 0.10 0.00 0.00 66.02 66.82 3ihg s SER 98 CO 0.87 -1.22 1.47 0.15 0.98 0.00 0.00 173.24 175.49 3ihg h PHE 99 N 2.12 0.75 0.00 5.02 3.57 -1.82 -2.34 116.94 124.25 3ihg h PHE 99 Ca -0.23 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 3ihg h PHE 99 Cb 1.25 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 3ihg h PHE 99 CO 0.40 0.87 -0.07 -0.44 -2.23 0.00 0.00 178.31 176.85 3ihg h ASP 100 N 0.41 0.00 0.96 0.41 3.32 -1.90 0.20 116.42 119.82 3ihg h ASP 100 Ca 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3ihg h ASP 100 Cb 0.67 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3ihg h ASP 100 CO 0.04 0.07 -1.10 0.44 -1.72 0.00 0.00 179.24 176.97 3ihg h ASP 101 N 0.00 0.00 -0.09 6.45 5.19 -1.95 -2.36 116.42 123.66 3ihg h ASP 101 Ca -0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 3ihg h ASP 101 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3ihg h ASP 101 CO 0.01 0.41 -0.30 -0.03 -3.12 0.00 0.00 179.24 176.20 3ihg h MET 102 N 0.00 0.36 -0.23 3.56 4.05 -0.42 -2.39 114.93 119.84 3ihg h MET 102 Ca -0.09 -0.27 -0.00 0.00 -0.28 0.00 0.00 59.70 59.06 3ihg h MET 102 Cb 1.39 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.23 3ihg h MET 102 CO 0.04 0.90 0.14 0.28 0.23 0.00 0.00 176.91 178.50 3ihg h VAL 103 N -0.11 1.08 -0.34 -5.77 2.07 -1.44 -3.11 116.25 108.64 3ihg h VAL 103 Ca -0.01 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.40 3ihg h VAL 103 Cb 0.93 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3ihg h VAL 103 CO 0.06 0.08 0.24 0.00 0.02 0.00 0.00 177.57 177.97 3ihg h ALA 104 N 1.05 2.25 -0.65 1.67 0.00 -1.29 -1.44 119.26 120.85 3ihg h ALA 104 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3ihg h ALA 104 Cb 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3ihg h ALA 104 CO -0.02 -0.34 0.43 0.00 0.00 0.00 0.00 179.25 179.32 3ihg h ALA 105 N 1.83 1.76 -0.00 0.00 0.00 -1.35 -3.21 119.26 118.28 3ihg h ALA 105 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ihg h ALA 105 Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ihg h ALA 105 CO -0.01 0.14 -0.00 0.25 0.00 0.00 0.00 179.25 179.63 3ihg n THR 106 N -4.48 0.00 -0.09 0.00 -2.24 -0.57 -4.77 114.28 102.13 3ihg n THR 106 Ca 0.09 -0.50 0.24 0.00 -2.27 0.00 0.00 64.05 61.61 3ihg n THR 106 Cb 0.22 1.06 0.70 0.00 -2.10 0.00 0.00 70.33 70.22 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 0.61 0.02 0.00 -0.78 4.22 -1.48 0.29 114.58 117.46 3ihg h GLU 107 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3ihg h GLU 107 Cb 0.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ihg h GLU 107 CO 0.00 0.01 0.00 -0.35 -2.18 0.00 0.00 179.01 176.49 3ihg n PRO 108 N -4.33 0.26 -0.04 0.92 -0.04 -1.26 -3.51 135.00 127.00 3ihg n PRO 108 Ca 0.14 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.69 3ihg n PRO 108 Cb 0.77 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.80 0.00 -0.13 0.00 -1.32 -1.01 -4.27 115.64 108.12 3ihg s THR 110 Ca 0.12 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.74 3ihg s THR 110 Cb 0.08 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 3ihg s THR 110 CO 0.11 0.00 1.38 1.55 -2.21 0.00 0.00 174.62 175.46 3ihg h PRO 111 N 3.88 0.00 -7.30 7.08 0.13 -1.90 -3.40 132.00 130.49 3ihg h PRO 111 Ca -0.27 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.35 3ihg h PRO 111 Cb 1.15 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.44 3ihg h PRO 111 CO 0.22 0.54 0.27 0.00 -0.23 0.00 0.00 178.00 178.80 3ihg s ALA 112 N -2.93 1.83 0.00 -0.56 0.00 -1.26 -5.04 121.76 113.79 3ihg s ALA 112 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3ihg s ALA 112 Cb 0.08 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3ihg s ALA 112 CO 0.76 -2.25 0.00 0.41 0.00 0.00 0.00 175.76 174.68 3ihg n GLY 113 N -0.63 4.23 3.62 0.00 0.00 -1.26 -4.87 105.19 106.28 3ihg n GLY 113 Ca 0.10 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 3.65 2.83 0.33 1.61 0.52 -1.26 -2.50 118.94 124.11 3ihg s TRP 114 Ca 0.00 -0.11 0.09 0.00 0.02 0.00 0.00 56.10 56.10 3ihg s TRP 114 Cb 0.00 -1.47 -0.06 0.00 -1.15 0.00 0.00 33.47 30.79 3ihg s TRP 114 CO 0.00 0.45 -0.09 0.00 0.02 0.00 0.00 176.95 177.33 3ihg s ALA 115 N -1.26 2.81 -0.06 0.98 0.00 -0.19 -4.98 121.76 119.07 3ihg s ALA 115 Ca 0.23 -2.04 0.23 0.00 0.00 0.00 0.00 51.96 50.38 3ihg s ALA 115 Cb -0.11 0.00 0.44 0.00 0.00 0.00 0.00 23.12 23.44 3ihg s ALA 115 CO 0.15 0.05 1.17 -1.33 0.00 0.00 0.00 175.76 175.81 3ihg n MET 116 N -0.74 0.45 -2.41 0.00 0.00 -1.26 0.86 117.12 114.02 3ihg n MET 116 Ca -0.05 -2.36 -0.35 0.00 0.00 0.00 0.00 57.70 54.93 3ihg n MET 116 Cb 0.63 -0.42 -0.02 0.00 0.00 0.00 0.00 33.22 33.41 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 -0.88 3.91 0.81 4.03 1.43 -1.26 -0.26 118.68 126.46 3ihg s LEU 117 Ca 0.34 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.43 3ihg s LEU 117 Cb 0.38 -4.43 0.08 0.00 0.03 0.00 0.00 46.19 42.25 3ihg s LEU 117 CO -0.14 -0.88 1.09 -0.94 0.23 0.00 0.00 176.35 175.71 3ihg s SER 118 N -1.72 4.30 0.31 2.29 1.04 -1.26 -1.72 113.70 116.95 3ihg s SER 118 Ca 0.66 1.46 0.07 0.00 0.48 0.00 0.00 55.95 58.62 3ihg s SER 118 Cb -0.22 -2.19 0.79 0.00 0.10 0.00 0.00 66.02 64.50 3ihg s SER 118 CO 0.26 -2.11 1.77 -0.61 0.98 0.00 0.00 173.24 173.54 3ihg h GLN 119 N -1.18 0.69 0.00 4.02 4.15 -0.26 -0.51 115.11 122.01 3ihg h GLN 119 Ca -0.47 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3ihg h GLN 119 Cb 1.26 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.80 3ihg h GLN 119 CO 0.57 0.46 0.00 -0.40 -1.93 0.00 0.00 178.83 177.52 3ihg n ASP 120 N -4.76 0.68 -0.07 -0.69 5.75 -1.25 -0.89 116.55 115.32 3ihg n ASP 120 Ca 0.24 0.66 -0.10 0.00 -0.01 0.00 0.00 54.79 55.58 3ihg n ASP 120 Cb 0.61 -0.81 -0.15 0.00 -1.03 0.00 0.00 41.12 39.74 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 -2.24 0.67 0.04 0.11 4.76 -0.27 -4.39 118.16 116.83 3ihg n LYS 121 Ca 0.02 0.13 -0.20 0.00 -2.87 0.00 0.00 58.31 55.39 3ihg n LYS 121 Cb 0.24 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 31.69 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 0.92 -0.77 -0.35 5.85 -1.00 -3.29 115.31 116.66 3ihg h LEU 122 Ca -0.44 -0.73 -0.07 0.00 0.84 0.00 0.00 57.88 57.48 3ihg h LEU 122 Cb 2.13 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.85 3ihg h LEU 122 CO 0.05 1.53 0.18 -0.33 -0.34 0.00 0.00 178.44 179.53 3ihg h GLU 123 N 0.40 1.10 -0.76 1.25 5.08 -1.25 -2.02 114.58 118.39 3ihg h GLU 123 Ca -0.13 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 3ihg h GLU 123 Cb 1.69 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.74 3ihg h GLU 123 CO 0.20 0.96 0.50 -1.35 -1.00 0.00 0.00 179.01 178.33 3ihg h PRO 124 N 1.05 0.87 -0.18 2.33 0.11 -1.77 0.24 132.00 134.65 3ihg h PRO 124 Ca 0.22 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3ihg h PRO 124 Cb 0.35 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3ihg h PRO 124 CO 0.00 0.57 0.06 0.82 -0.21 0.00 0.00 178.00 179.25 3ihg h ILE 125 N 0.89 1.18 0.42 4.15 2.04 -1.45 0.03 117.51 124.77 3ihg h ILE 125 Ca 0.31 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3ihg h ILE 125 Cb 0.11 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3ihg h ILE 125 CO -0.10 0.17 -0.21 -0.07 0.00 0.00 0.00 178.15 177.95 3ihg h LEU 126 N 0.12 -0.50 -0.88 1.44 3.38 -1.22 -2.19 115.31 115.48 3ihg h LEU 126 Ca 0.06 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.15 3ihg h LEU 126 Cb 0.21 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 3ihg h LEU 126 CO -0.00 -0.35 0.52 0.25 0.09 0.00 0.00 178.44 178.95 3ihg h LEU 127 N -0.58 0.76 -1.59 1.67 5.85 -0.41 -0.38 115.31 120.63 3ihg h LEU 127 Ca -0.06 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3ihg h LEU 127 Cb 0.45 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3ihg h LEU 127 CO 0.09 0.43 -0.07 0.00 -0.34 0.00 0.00 178.44 178.55 3ihg h ALA 128 N 1.47 1.67 0.09 1.25 0.00 -0.85 -2.02 119.26 120.88 3ihg h ALA 128 Ca 0.42 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.90 3ihg h ALA 128 Cb 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ihg h ALA 128 CO -0.25 0.25 -1.57 0.37 0.00 0.00 0.00 179.25 178.05 3ihg h GLN 129 N 0.17 0.19 -0.96 0.00 5.75 -0.46 -2.49 115.11 117.31 3ihg h GLN 129 Ca 0.04 -0.32 0.08 0.00 -0.15 0.00 0.00 58.65 58.30 3ihg h GLN 129 Cb 0.24 0.12 -0.07 0.00 1.07 0.00 0.00 27.48 28.83 3ihg h GLN 129 CO 0.01 1.00 0.60 0.00 -2.65 0.00 0.00 178.83 177.80 3ihg h ALA 130 N 0.58 1.36 0.07 3.38 0.00 -1.16 -2.30 119.26 121.20 3ihg h ALA 130 Ca -0.25 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.41 3ihg h ALA 130 Cb 2.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3ihg h ALA 130 CO 0.14 0.31 -1.11 0.00 0.00 0.00 0.00 179.25 178.59 3ihg h ARG 131 N 1.04 0.23 -0.15 0.00 3.08 -1.25 0.16 114.38 117.50 3ihg h ARG 131 Ca 0.44 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3ihg h ARG 131 Cb 0.28 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3ihg h ARG 131 CO -0.21 1.13 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.46 3ihg h LYS 132 N 0.08 0.24 -0.50 0.04 3.64 -1.33 -1.80 116.57 116.95 3ihg h LYS 132 Ca -0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3ihg h LYS 132 Cb 1.82 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3ihg h LYS 132 CO 0.18 0.39 0.00 0.72 -2.27 0.00 0.00 179.45 178.46 3ihg n HIS 133 N -4.26 0.70 -0.06 1.91 8.25 -0.87 -4.90 115.22 115.99 3ihg n HIS 133 Ca -0.01 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3ihg n HIS 133 Cb 0.28 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 1.07 0.97 3.90 -1.41 0.00 -0.67 -4.58 105.19 104.46 3ihg n GLY 134 Ca 0.15 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.01 1.62 0.03 -0.02 0.00 0.55 -4.71 107.32 102.77 3ihg s GLY 135 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 3ihg s GLY 135 CO 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 173.10 172.91 3ihg s ALA 136 N -3.23 0.24 0.04 3.20 0.00 -1.04 -4.26 121.76 116.71 3ihg s ALA 136 Ca 0.57 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.77 3ihg s ALA 136 Cb -0.11 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3ihg s ALA 136 CO 0.49 -0.24 -0.12 -1.50 0.00 0.00 0.00 175.76 174.39 3ihg s ILE 137 N -2.33 0.95 -0.22 0.00 2.07 -1.26 -1.35 121.20 119.06 3ihg s ILE 137 Ca -0.08 -1.01 -0.02 0.00 -1.41 0.00 0.00 60.65 58.13 3ihg s ILE 137 Cb -0.04 -0.90 0.07 0.00 0.13 0.00 0.00 42.46 41.72 3ihg s ILE 137 CO -0.04 -0.10 0.03 -0.13 -1.91 0.00 0.00 174.94 172.79 3ihg s ARG 138 N -1.25 0.87 0.66 3.50 0.52 0.63 -4.92 118.95 118.96 3ihg s ARG 138 Ca -0.01 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.45 3ihg s ARG 138 Cb -0.08 -2.19 -0.00 0.00 0.52 0.00 0.00 34.95 33.19 3ihg s ARG 138 CO 0.01 -0.69 1.05 -0.06 0.02 0.00 0.00 175.30 175.64 3ihg s PHE 139 N 1.72 3.41 -0.98 -0.53 0.08 -1.26 -1.87 117.98 118.55 3ihg s PHE 139 Ca -0.00 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.12 3ihg s PHE 139 Cb -0.17 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 3ihg s PHE 139 CO -0.10 -0.98 0.00 0.41 -0.10 0.00 0.00 175.22 174.45 3ihg n GLY 140 N -2.87 0.86 3.07 4.36 0.00 0.11 -4.84 105.19 105.86 3ihg n GLY 140 Ca 0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.39 1.66 -0.06 2.61 2.01 -0.44 -4.11 115.64 114.91 3ihg s THR 141 Ca 0.00 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.34 3ihg s THR 141 Cb 0.00 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 3ihg s THR 141 CO 0.00 0.47 -0.24 -0.60 -0.69 0.00 0.00 174.62 173.56 3ihg s ARG 142 N 1.15 2.61 -0.12 4.92 3.52 0.11 -1.94 118.95 129.19 3ihg s ARG 142 Ca -0.02 -0.89 -0.29 0.00 -0.13 0.00 0.00 55.73 54.40 3ihg s ARG 142 Cb -0.14 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 31.07 3ihg s ARG 142 CO -0.06 0.34 1.25 -1.17 -0.81 0.00 0.00 175.30 174.85 3ihg s LEU 143 N -0.06 4.22 -0.21 -0.88 2.96 -1.26 0.22 118.68 123.67 3ihg s LEU 143 Ca -0.07 1.75 -0.20 0.00 -0.22 0.00 0.00 54.13 55.40 3ihg s LEU 143 Cb -0.14 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.83 3ihg s LEU 143 CO 0.05 -0.70 0.10 0.18 -1.32 0.00 0.00 176.35 174.65 3ihg n LEU 144 N 6.11 1.87 -3.84 -0.68 4.77 0.21 -4.91 117.00 120.53 3ihg n LEU 144 Ca 0.13 0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 56.47 3ihg n LEU 144 Cb 0.45 -0.94 0.02 0.00 -2.33 0.00 0.00 43.42 40.62 3ihg n LEU 144 CO 0.56 0.26 0.65 -0.94 -1.33 0.00 0.00 177.39 176.59 3ihg s SER 145 N -6.86 -0.03 -0.04 -1.43 1.04 -1.20 -5.00 113.70 100.18 3ihg s SER 145 Ca -0.29 -0.88 -0.20 0.00 0.48 0.00 0.00 55.95 55.06 3ihg s SER 145 Cb 0.07 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.91 3ihg s SER 145 CO 0.55 -1.35 0.44 0.72 0.98 0.00 0.00 173.24 174.59 3ihg s PHE 146 N -2.43 -0.37 0.16 5.02 -0.12 -1.26 0.69 117.98 119.67 3ihg s PHE 146 Ca 0.17 0.63 0.10 0.00 -0.05 0.00 0.00 56.93 57.78 3ihg s PHE 146 Cb -0.04 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 3ihg s PHE 146 CO 0.08 -0.45 -0.17 1.03 -0.05 0.00 0.00 175.22 175.66 3ihg s ARG 147 N -1.14 1.78 0.19 1.99 0.52 0.38 -4.97 118.95 117.70 3ihg s ARG 147 Ca -0.12 -1.31 0.08 0.00 -0.52 0.00 0.00 55.73 53.87 3ihg s ARG 147 Cb -0.03 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 3ihg s ARG 147 CO 0.06 0.44 -0.04 -0.65 0.02 0.00 0.00 175.30 175.13 3ihg s GLN 148 N -2.50 2.25 -0.11 3.54 -0.21 -1.26 -0.94 119.66 120.42 3ihg s GLN 148 Ca 0.21 -1.23 -0.01 0.00 0.02 0.00 0.00 55.36 54.35 3ihg s GLN 148 Cb -0.09 -2.24 0.03 0.00 1.00 0.00 0.00 33.01 31.70 3ihg s GLN 148 CO 0.11 0.43 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.66 3ihg s HIS 149 N -1.83 1.28 0.93 0.91 3.76 -0.65 -4.96 115.29 114.74 3ihg s HIS 149 Ca 0.27 -0.64 -0.11 0.00 -0.15 0.00 0.00 55.06 54.43 3ihg s HIS 149 Cb -0.09 -1.12 0.15 0.00 1.11 0.00 0.00 32.58 32.63 3ihg s HIS 149 CO 0.17 -0.48 1.11 -0.51 -0.85 0.00 0.00 174.74 174.18 3ihg s ASP 150 N 1.77 2.93 0.19 1.40 1.01 -1.26 -2.29 116.67 120.43 3ihg s ASP 150 Ca 0.04 1.90 -0.12 0.00 0.71 0.00 0.00 52.55 55.08 3ihg s ASP 150 Cb -0.13 -2.45 0.21 0.00 1.01 0.00 0.00 42.92 41.56 3ihg s ASP 150 CO -0.07 -3.04 1.70 0.44 0.21 0.00 0.00 175.17 174.40 3ihg h ASP 151 N -1.83 -0.08 -0.92 0.27 5.19 -1.94 -1.26 116.42 115.85 3ihg h ASP 151 Ca -0.47 0.11 0.23 0.00 -0.62 0.00 0.00 57.03 56.27 3ihg h ASP 151 Cb 1.28 0.16 -0.12 0.00 0.18 0.00 0.00 39.33 40.82 3ihg h ASP 151 CO 0.47 -0.01 0.44 -2.24 -3.12 0.00 0.00 179.24 174.77 3ihg h ASP 152 N 0.19 0.41 0.02 6.45 3.04 -2.00 -0.84 116.42 123.69 3ihg h ASP 152 Ca 0.26 0.15 0.00 0.00 -3.24 0.00 0.00 57.03 54.20 3ihg h ASP 152 Cb 0.38 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 3ihg h ASP 152 CO -0.38 0.03 -0.13 0.00 -2.04 0.00 0.00 179.24 176.72 3ihg n ALA 153 N -2.45 2.80 -2.00 4.15 0.00 -0.80 -4.94 120.51 117.27 3ihg n ALA 153 Ca 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3ihg n ALA 153 Cb 0.67 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 1.31 1.53 3.92 0.00 0.00 -0.33 -4.89 105.19 106.74 3ihg n GLY 154 Ca 0.14 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.42 3.28 0.00 4.61 0.00 -1.21 -4.87 121.76 122.16 3ihg s ALA 155 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3ihg s ALA 155 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.55 3ihg s ALA 155 CO 0.00 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3ihg n GLY 156 N -2.69 -1.42 2.90 0.00 0.00 -0.97 -4.82 105.19 98.19 3ihg n GLY 156 Ca 0.06 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.51 0.35 -0.12 1.61 1.01 1.00 -1.63 120.40 120.11 3ihg s VAL 157 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3ihg s VAL 157 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3ihg s VAL 157 CO 0.00 0.14 -0.05 -0.89 0.00 0.00 0.00 175.10 174.30 3ihg s THR 158 N 0.46 3.77 0.10 3.92 2.01 -0.12 -0.87 115.64 124.91 3ihg s THR 158 Ca -0.05 -0.42 0.09 0.00 0.31 0.00 0.00 61.69 61.62 3ihg s THR 158 Cb -0.08 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 3ihg s THR 158 CO -0.01 0.54 -0.24 0.00 -0.69 0.00 0.00 174.62 174.22 3ihg s ALA 159 N -0.14 2.11 -0.14 7.40 0.00 0.13 -0.47 121.76 130.64 3ihg s ALA 159 Ca 0.02 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 3ihg s ALA 159 Cb -0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 3ihg s ALA 159 CO 0.03 0.47 -0.07 0.50 0.00 0.00 0.00 175.76 176.69 3ihg s ARG 160 N -1.79 3.55 0.18 0.00 3.52 0.22 -0.73 118.95 123.89 3ihg s ARG 160 Ca 0.11 -0.57 0.10 0.00 -0.13 0.00 0.00 55.73 55.24 3ihg s ARG 160 Cb -0.10 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 3ihg s ARG 160 CO 0.04 0.25 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.05 3ihg s LEU 161 N 0.31 2.43 -0.43 -0.88 1.43 0.50 0.66 118.68 122.69 3ihg s LEU 161 Ca -0.06 -0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 52.19 3ihg s LEU 161 Cb -0.15 -1.04 0.12 0.00 0.03 0.00 0.00 46.19 45.15 3ihg s LEU 161 CO 0.04 0.07 0.19 0.00 0.23 0.00 0.00 176.35 176.88 3ihg s ALA 162 N -1.75 3.15 0.13 4.21 0.00 0.60 -2.03 121.76 126.09 3ihg s ALA 162 Ca 0.18 -2.71 0.01 0.00 0.00 0.00 0.00 51.96 49.44 3ihg s ALA 162 Cb -0.07 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.77 3ihg s ALA 162 CO 0.08 -1.83 0.11 0.41 0.00 0.00 0.00 175.76 174.53 3ihg n GLY 163 N 4.19 1.73 0.18 0.00 0.00 -0.60 0.04 105.19 110.72 3ihg n GLY 163 Ca 0.02 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.07 -0.53 1.61 0.11 -1.92 -1.25 132.00 130.10 3ihg h PRO 164 Ca -0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3ihg h PRO 164 Cb 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3ihg h PRO 164 CO 0.05 0.49 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 3ihg n ASP 165 N -4.02 2.57 0.00 -2.05 8.00 -1.26 -5.03 116.55 114.76 3ihg n ASP 165 Ca -0.02 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.31 3ihg n ASP 165 Cb 0.46 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.83 -0.02 3.87 0.44 0.00 -0.47 -5.03 105.19 104.81 3ihg n GLY 166 Ca 0.13 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 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 3.78 0.18 1.61 2.02 -1.26 -1.56 118.70 123.46 3ihg s GLU 167 Ca 0.00 0.19 -0.23 0.00 0.02 0.00 0.00 54.97 54.95 3ihg s GLU 167 Cb 0.00 -2.94 0.06 0.00 0.10 0.00 0.00 34.13 31.35 3ihg s GLU 167 CO 0.00 0.52 0.65 1.52 0.02 0.00 0.00 175.26 177.97 3ihg s TYR 168 N -1.47 -0.44 -0.05 1.61 -0.85 -0.86 -4.99 117.35 110.29 3ihg s TYR 168 Ca 0.36 0.18 -0.01 0.00 -0.52 0.00 0.00 57.07 57.08 3ihg s TYR 168 Cb -0.14 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 3ihg s TYR 168 CO 0.19 -0.92 0.03 -0.51 -1.52 0.00 0.00 175.55 172.82 3ihg s ASP 169 N -2.78 5.36 -0.03 -0.18 -0.00 -1.26 -0.37 116.67 117.41 3ihg s ASP 169 Ca 0.04 0.12 0.02 0.00 -0.00 0.00 0.00 52.55 52.73 3ihg s ASP 169 Cb -0.02 -1.50 0.01 0.00 -0.00 0.00 0.00 42.92 41.41 3ihg s ASP 169 CO -0.08 0.33 -0.07 -0.22 -0.00 0.00 0.00 175.17 175.14 3ihg s LEU 170 N -1.24 1.59 -0.32 1.23 2.96 0.09 -4.97 118.68 118.01 3ihg s LEU 170 Ca 0.17 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 3ihg s LEU 170 Cb -0.12 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 3ihg s LEU 170 CO 0.07 0.01 0.21 -0.13 -1.32 0.00 0.00 176.35 175.19 3ihg s ARG 171 N 0.52 3.60 0.20 1.98 0.52 -1.26 0.17 118.95 124.68 3ihg s ARG 171 Ca -0.07 -0.56 0.09 0.00 -0.52 0.00 0.00 55.73 54.67 3ihg s ARG 171 Cb -0.11 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 3ihg s ARG 171 CO 0.01 -0.36 -0.10 0.00 0.02 0.00 0.00 175.30 174.86 3ihg s ALA 172 N 1.72 2.93 0.30 2.13 0.00 -0.05 -1.67 121.76 127.12 3ihg s ALA 172 Ca 0.06 -1.53 0.12 0.00 0.00 0.00 0.00 51.96 50.61 3ihg s ALA 172 Cb -0.17 -0.69 0.50 0.00 0.00 0.00 0.00 23.12 22.76 3ihg s ALA 172 CO 0.10 0.43 1.69 0.78 0.00 0.00 0.00 175.76 178.76 3ihg h GLY 173 N 2.75 0.00 -3.74 0.00 0.00 -1.02 0.28 103.07 101.35 3ihg h GLY 173 Ca -0.46 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 3ihg h GLY 173 CO 0.55 0.00 -0.41 -0.19 0.00 0.00 0.00 176.54 176.49 3ihg s TYR 174 N -3.79 0.10 -0.07 5.60 2.02 -0.29 -4.52 117.35 116.40 3ihg s TYR 174 Ca -0.02 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3ihg s TYR 174 Cb 0.13 -0.06 0.02 0.00 -0.40 0.00 0.00 41.96 41.65 3ihg s TYR 174 CO 0.74 -0.45 -0.10 -1.17 -1.57 0.00 0.00 175.55 173.00 3ihg s LEU 175 N -2.30 1.51 -0.14 -1.29 0.20 0.13 -1.31 118.68 115.47 3ihg s LEU 175 Ca -0.02 -0.28 -0.02 0.00 0.69 0.00 0.00 54.13 54.49 3ihg s LEU 175 Cb 0.01 -0.80 -0.02 0.00 -0.43 0.00 0.00 46.19 44.95 3ihg s LEU 175 CO -0.06 -0.01 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.23 3ihg s VAL 176 N 0.93 3.56 -0.72 1.68 1.01 0.11 -0.66 120.40 126.30 3ihg s VAL 176 Ca -0.10 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3ihg s VAL 176 Cb -0.15 -2.53 0.19 0.00 0.00 0.00 0.00 36.38 33.88 3ihg s VAL 176 CO 0.01 0.51 0.66 -0.83 0.00 0.00 0.00 175.10 175.44 3ihg s GLY 177 N 0.34 2.45 -0.46 4.51 0.00 0.31 -1.02 107.32 113.46 3ihg s GLY 177 Ca -0.07 -3.04 0.04 0.00 0.00 0.00 0.00 44.72 41.65 3ihg s GLY 177 CO 0.04 1.23 1.68 0.00 0.00 0.00 0.00 173.10 176.05 3ihg n ALA 178 N 4.43 5.44 -0.65 3.20 0.00 -0.07 -2.04 120.51 130.82 3ihg n ALA 178 Ca 0.04 -3.40 -0.01 0.00 0.00 0.00 0.00 53.44 50.07 3ihg n ALA 178 Cb 0.44 -1.13 0.29 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.95 4.63 0.00 0.00 5.75 -0.48 -4.17 116.55 121.33 3ihg n ASP 179 Ca 0.51 -2.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 3ihg n ASP 179 Cb 0.97 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.18 -2.75 0.16 6.12 0.00 -1.26 -4.30 105.19 103.34 3ihg n GLY 180 Ca 0.30 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 3ihg n GLY 180 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3ihg h ASN 181 N 0.00 -0.03 -1.12 1.61 -1.24 -1.91 -2.44 115.58 110.43 3ihg h ASN 181 Ca 0.00 0.07 -0.72 0.00 0.71 0.00 0.00 56.30 56.36 3ihg h ASN 181 Cb 0.00 0.11 -0.13 0.00 0.73 0.00 0.00 38.32 39.03 3ihg h ASN 181 CO 0.00 0.02 2.27 0.54 -1.29 0.00 0.00 177.43 178.97 3ihg n ARG 182 N -5.12 4.42 -1.98 6.67 1.74 -1.26 -4.79 116.66 116.34 3ihg n ARG 182 Ca 0.02 -3.35 -0.43 0.00 -0.77 0.00 0.00 57.85 53.32 3ihg n ARG 182 Cb 0.18 -2.59 -0.03 0.00 -1.02 0.00 0.00 32.46 29.00 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 0.40 5.91 0.26 0.55 0.15 -0.94 -4.86 113.70 115.17 3ihg s SER 183 Ca 0.55 1.38 -0.03 0.00 0.70 0.00 0.00 55.95 58.55 3ihg s SER 183 Cb 0.20 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.51 3ihg s SER 183 CO -0.10 -1.68 1.68 0.25 1.20 0.00 0.00 173.24 174.59 3ihg h LEU 184 N 13.57 0.07 0.88 3.45 6.46 -1.88 -1.19 115.31 136.66 3ihg h LEU 184 Ca -0.34 0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.52 3ihg h LEU 184 Cb 1.17 0.19 0.01 0.00 -0.73 0.00 0.00 40.66 41.30 3ihg h LEU 184 CO 1.02 -0.04 -0.42 0.58 -0.62 0.00 0.00 178.44 178.96 3ihg h VAL 185 N 0.29 0.00 -0.72 1.05 2.07 -1.93 0.11 116.25 117.12 3ihg h VAL 185 Ca 0.45 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.08 3ihg h VAL 185 Cb 0.79 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 3ihg h VAL 185 CO -0.53 0.00 0.32 -0.09 0.02 0.00 0.00 177.57 177.30 3ihg h ARG 186 N -1.18 0.50 -0.04 1.57 2.43 -1.87 -1.62 114.38 114.18 3ihg h ARG 186 Ca -0.12 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.89 3ihg h ARG 186 Cb 0.90 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3ihg h ARG 186 CO 0.20 0.33 -0.56 1.49 -1.51 0.00 0.00 179.97 179.92 3ihg h GLU 187 N 0.52 0.11 0.00 0.20 4.81 -1.13 -2.52 114.58 116.57 3ihg h GLU 187 Ca 0.38 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3ihg h GLU 187 Cb 0.48 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3ihg h GLU 187 CO -0.33 0.64 -0.26 0.77 -0.73 0.00 0.00 179.01 179.10 3ihg h SER 188 N 0.08 0.00 0.09 1.04 0.02 0.21 -2.89 113.55 112.10 3ihg h SER 188 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ihg h SER 188 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3ihg h SER 188 CO 0.08 0.26 -0.12 0.18 -1.14 0.00 0.00 176.83 176.09 3ihg n LEU 189 N -3.72 1.38 -1.46 5.07 4.77 -1.03 -4.95 117.00 117.06 3ihg n LEU 189 Ca -0.01 -0.43 -0.15 0.00 -0.03 0.00 0.00 56.01 55.39 3ihg n LEU 189 Cb 0.37 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3ihg n LEU 189 CO 0.34 0.24 -0.17 0.61 -1.33 0.00 0.00 177.39 177.09 3ihg n GLY 190 N 1.26 0.51 3.71 -0.72 0.00 -1.09 -5.01 105.19 103.85 3ihg n GLY 190 Ca 0.16 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.66 4.88 0.53 -0.61 1.01 -0.98 -5.04 121.20 118.33 3ihg s ILE 191 Ca 0.00 1.93 -0.08 0.00 0.00 0.00 0.00 60.65 62.50 3ihg s ILE 191 Cb 0.00 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3ihg s ILE 191 CO 0.00 0.19 0.88 -0.83 0.00 0.00 0.00 174.94 175.18 3ihg s GLY 192 N 0.89 1.59 0.29 6.18 0.00 -1.26 -4.73 107.32 110.27 3ihg s GLY 192 Ca 0.49 -0.32 0.08 0.00 0.00 0.00 0.00 44.72 44.96 3ihg s GLY 192 CO 0.26 -0.12 0.18 0.50 0.00 0.00 0.00 173.10 173.92 3ihg s ARG 193 N -4.84 2.69 0.27 2.90 0.52 -1.26 -0.79 118.95 118.44 3ihg s ARG 193 Ca 0.51 -1.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 3ihg s ARG 193 Cb -0.11 -2.42 -0.06 0.00 0.52 0.00 0.00 34.95 32.89 3ihg s ARG 193 CO 0.47 0.28 0.05 1.52 0.02 0.00 0.00 175.30 177.64 3ihg s TYR 194 N -2.25 1.70 -1.28 -0.53 -0.85 -0.24 -4.86 117.35 109.04 3ihg s TYR 194 Ca 0.35 -1.01 0.00 0.00 -0.52 0.00 0.00 57.07 55.90 3ihg s TYR 194 Cb -0.06 -1.04 0.00 0.00 0.38 0.00 0.00 41.96 41.24 3ihg s TYR 194 CO 0.24 -0.10 0.00 0.41 -1.52 0.00 0.00 175.55 174.58 3ihg n GLY 195 N -0.53 0.46 0.32 5.49 0.00 -1.26 -1.03 105.19 108.64 3ihg n GLY 195 Ca -0.03 -2.20 0.15 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.04 1.61 2.76 -2.00 -3.48 115.15 114.00 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 -1.46 -0.29 3.55 5.26 0.00 -0.49 -4.87 105.19 106.89 3ihg n GLY 197 Ca 0.01 -1.05 -0.53 0.00 0.00 0.00 0.00 46.02 44.45 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 0.33 -0.07 2.61 -1.04 -1.26 -1.74 114.28 113.12 3ihg n THR 198 Ca 0.00 -0.08 -0.11 0.00 -2.04 0.00 0.00 64.05 61.82 3ihg n THR 198 Cb 0.00 -0.55 -0.04 0.00 -1.82 0.00 0.00 70.33 67.93 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 2.08 1.66 -3.62 -4.42 7.94 0.76 -4.88 117.00 116.52 3ihg n LEU 199 Ca 0.18 0.27 -0.06 0.00 -1.11 0.00 0.00 56.01 55.29 3ihg n LEU 199 Cb 0.18 -0.63 -0.02 0.00 0.53 0.00 0.00 43.42 43.48 3ihg n LEU 199 CO 0.61 -0.18 0.70 0.28 -1.11 0.00 0.00 177.39 177.69 3ihg s THR 200 N -2.60 0.00 0.19 1.96 -1.32 -1.15 -5.01 115.64 107.71 3ihg s THR 200 Ca -0.23 -0.31 0.11 0.00 -1.21 0.00 0.00 61.69 60.04 3ihg s THR 200 Cb 0.05 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 3ihg s THR 200 CO 0.33 0.00 -0.22 -1.00 -2.21 0.00 0.00 174.62 171.52 3ihg s HIS 201 N -3.21 2.19 0.09 9.09 3.76 -1.26 -0.44 115.29 125.51 3ihg s HIS 201 Ca 0.08 -0.38 -0.23 0.00 -0.15 0.00 0.00 55.06 54.38 3ihg s HIS 201 Cb -0.01 -1.08 0.06 0.00 1.11 0.00 0.00 32.58 32.66 3ihg s HIS 201 CO -0.04 0.48 0.56 1.41 -0.85 0.00 0.00 174.74 176.30 3ihg s MET 202 N -2.76 1.14 -0.16 1.40 1.75 -0.40 -1.93 119.30 118.33 3ihg s MET 202 Ca 0.20 -0.31 0.01 0.00 -1.25 0.00 0.00 55.69 54.34 3ihg s MET 202 Cb -0.07 0.52 0.02 0.00 2.84 0.00 0.00 34.83 38.14 3ihg s MET 202 CO 0.09 -0.45 -0.17 0.08 -0.65 0.00 0.00 175.02 173.93 3ihg s VAL 203 N -2.94 1.80 0.03 10.11 1.01 -0.38 -0.71 120.40 129.31 3ihg s VAL 203 Ca -0.03 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 3ihg s VAL 203 Cb -0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 3ihg s VAL 203 CO -0.06 0.50 0.56 -0.83 0.00 0.00 0.00 175.10 175.27 3ihg s GLY 204 N 1.37 2.62 -0.09 4.51 0.00 0.13 -2.09 107.32 113.77 3ihg s GLY 204 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.76 3ihg s GLY 204 CO -0.11 0.57 -0.04 0.14 0.00 0.00 0.00 173.10 173.66 3ihg s VAL 205 N -0.65 0.72 -0.20 1.40 1.01 0.64 -0.94 120.40 122.38 3ihg s VAL 205 Ca 0.29 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 3ihg s VAL 205 Cb -0.19 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3ihg s VAL 205 CO 0.17 0.32 0.33 -0.63 0.00 0.00 0.00 175.10 175.29 3ihg s ILE 206 N 1.82 5.26 0.06 2.22 1.01 -0.86 0.12 121.20 130.83 3ihg s ILE 206 Ca 0.05 0.57 -0.00 0.00 0.00 0.00 0.00 60.65 61.27 3ihg s ILE 206 Cb -0.12 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3ihg s ILE 206 CO -0.07 0.31 -0.04 0.72 0.00 0.00 0.00 174.94 175.86 3ihg s PHE 207 N 1.01 0.61 -0.02 3.97 -0.12 -0.29 -0.58 117.98 122.56 3ihg s PHE 207 Ca 0.16 -1.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.05 3ihg s PHE 207 Cb -0.14 -0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 3ihg s PHE 207 CO 0.06 -0.31 0.01 -0.51 -0.05 0.00 0.00 175.22 174.42 3ihg s ASP 208 N -2.87 5.20 -0.30 1.98 -0.00 0.13 -1.29 116.67 119.52 3ihg s ASP 208 Ca 0.07 0.05 -0.22 0.00 -0.00 0.00 0.00 52.55 52.44 3ihg s ASP 208 Cb 0.06 -1.40 0.20 0.00 -0.00 0.00 0.00 42.92 41.78 3ihg s ASP 208 CO -0.08 0.30 1.37 0.00 -0.00 0.00 0.00 175.17 176.77 3ihg s ALA 209 N -1.04 -2.36 -0.60 5.23 0.00 -0.32 -0.90 121.76 121.75 3ihg s ALA 209 Ca 0.18 1.78 -0.27 0.00 0.00 0.00 0.00 51.96 53.66 3ihg s ALA 209 Cb -0.11 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.20 3ihg s ALA 209 CO 0.09 -0.17 1.14 0.34 0.00 0.00 0.00 175.76 177.16 3ihg s ASP 210 N 0.37 6.37 0.00 0.00 -1.08 -1.26 -4.56 116.67 116.51 3ihg s ASP 210 Ca 0.02 -0.12 0.19 0.00 -0.52 0.00 0.00 52.55 52.12 3ihg s ASP 210 Cb -0.04 -2.52 0.54 0.00 -1.46 0.00 0.00 42.92 39.44 3ihg s ASP 210 CO -0.14 -1.48 1.43 0.18 0.52 0.00 0.00 175.17 175.69 3ihg n LEU 211 N 8.35 2.37 -0.29 -1.34 4.32 -1.26 -4.28 117.00 124.87 3ihg n LEU 211 Ca 0.06 -1.09 0.34 0.00 -0.02 0.00 0.00 56.01 55.30 3ihg n LEU 211 Cb 0.49 -0.22 0.74 0.00 -1.62 0.00 0.00 43.42 42.81 3ihg n LEU 211 CO 0.69 0.54 1.31 -1.28 -1.22 0.00 0.00 177.39 177.44 3ihg h SER 212 N 2.89 0.00 0.18 -1.43 0.87 -1.89 -0.06 113.55 114.10 3ihg h SER 212 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 3ihg h SER 212 Cb 0.64 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.63 3ihg h SER 212 CO 0.00 0.00 -1.11 1.23 -0.53 0.00 0.00 176.83 176.42 3ihg h GLY 213 N 0.00 0.50 -1.55 5.77 0.00 -2.02 -3.39 103.07 102.38 3ihg h GLY 213 Ca 0.53 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3ihg h GLY 213 CO -0.01 1.07 0.00 0.29 0.00 0.00 0.00 176.54 177.89 3ihg n ILE 214 N -3.94 1.29 -4.27 2.60 -6.64 -0.08 -4.90 119.36 103.41 3ihg n ILE 214 Ca -0.15 -1.17 -0.23 0.00 -1.77 0.00 0.00 62.75 59.43 3ihg n ILE 214 Cb 0.94 0.34 -0.17 0.00 -1.44 0.00 0.00 39.64 39.32 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 -1.38 1.24 0.65 6.28 1.75 -0.94 -4.79 119.30 122.10 3ihg s MET 215 Ca 0.30 -0.23 -0.17 0.00 -1.25 0.00 0.00 55.69 54.34 3ihg s MET 215 Cb 0.18 -1.15 -0.01 0.00 2.84 0.00 0.00 34.83 36.69 3ihg s MET 215 CO 0.16 -0.07 1.22 -1.21 -0.65 0.00 0.00 175.02 174.47 3ihg s GLU 216 N 0.97 2.62 0.89 4.11 2.02 -1.26 -4.82 118.70 123.23 3ihg s GLU 216 Ca -0.10 1.84 -0.14 0.00 0.02 0.00 0.00 54.97 56.59 3ihg s GLU 216 Cb -0.15 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.22 3ihg s GLU 216 CO 0.00 -1.48 0.49 -2.30 0.02 0.00 0.00 175.26 171.99 3ihg n PRO 217 N -2.04 -0.12 -4.38 0.39 -0.02 -1.26 -2.93 135.00 124.65 3ihg n PRO 217 Ca 0.14 0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 61.25 3ihg n PRO 217 Cb 0.50 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.46 -0.36 0.59 -1.23 0.00 -1.26 -4.88 105.19 99.51 3ihg n GLY 218 Ca 0.08 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.26 1.69 -2.35 2.61 5.66 -1.15 -4.94 114.28 111.54 3ihg n THR 219 Ca 0.01 -1.57 -0.39 0.00 -3.05 0.00 0.00 64.05 59.05 3ihg n THR 219 Cb 0.51 0.06 -0.03 0.00 -1.55 0.00 0.00 70.33 69.33 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 -2.08 3.27 -5.00 1.09 2.01 -1.26 -4.83 115.64 108.84 3ihg s THR 220 Ca 0.30 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.41 3ihg s THR 220 Cb 0.23 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 69.10 3ihg s THR 220 CO 0.09 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 3ihg n GLY 221 N 0.71 -1.53 3.66 4.40 0.00 -1.26 -0.55 105.19 110.63 3ihg n GLY 221 Ca 0.03 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.98 3.31 -0.13 1.61 -0.11 0.21 -4.27 118.94 117.58 3ihg s TRP 222 Ca 0.00 0.16 0.02 0.00 1.22 0.00 0.00 56.10 57.51 3ihg s TRP 222 Cb 0.00 -2.13 0.00 0.00 -1.50 0.00 0.00 33.47 29.84 3ihg s TRP 222 CO 0.00 0.18 -0.21 0.71 -4.62 0.00 0.00 176.95 173.01 3ihg s TYR 223 N 0.47 2.66 -0.35 5.86 2.02 -0.24 -1.63 117.35 126.15 3ihg s TYR 223 Ca 0.05 -1.17 -0.17 0.00 -0.37 0.00 0.00 57.07 55.41 3ihg s TYR 223 Cb -0.12 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 3ihg s TYR 223 CO -0.00 -0.51 0.44 0.71 -1.57 0.00 0.00 175.55 174.62 3ihg s TYR 224 N 0.66 3.19 -0.40 2.71 2.02 -0.04 -0.50 117.35 124.99 3ihg s TYR 224 Ca -0.10 0.06 -0.18 0.00 -0.37 0.00 0.00 57.07 56.48 3ihg s TYR 224 Cb -0.16 -2.81 0.01 0.00 -0.40 0.00 0.00 41.96 38.60 3ihg s TYR 224 CO 0.02 -0.50 0.47 -0.51 -1.57 0.00 0.00 175.55 173.46 3ihg s LEU 225 N 2.21 4.64 -0.69 -1.29 1.43 0.13 -1.49 118.68 123.62 3ihg s LEU 225 Ca 0.15 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3ihg s LEU 225 Cb -0.16 -2.47 0.18 0.00 0.03 0.00 0.00 46.19 43.77 3ihg s LEU 225 CO 0.13 -0.55 0.53 -1.00 0.23 0.00 0.00 176.35 175.69 3ihg s HIS 226 N 2.27 3.50 0.01 0.29 3.76 0.60 -1.79 115.29 123.93 3ihg s HIS 226 Ca 0.15 -2.57 0.01 0.00 -0.15 0.00 0.00 55.06 52.50 3ihg s HIS 226 Cb -0.16 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.14 3ihg s HIS 226 CO 0.14 -0.87 0.06 -1.58 -0.85 0.00 0.00 174.74 171.64 3ihg s HIS 227 N -0.09 3.22 0.30 1.40 5.04 -0.97 -4.06 115.29 120.13 3ihg s HIS 227 Ca 0.18 0.15 0.06 0.00 -1.54 0.00 0.00 55.06 53.90 3ihg s HIS 227 Cb -0.17 -1.70 0.78 0.00 0.04 0.00 0.00 32.58 31.53 3ihg s HIS 227 CO -0.05 0.53 1.70 -1.35 -2.34 0.00 0.00 174.74 173.23 3ihg h PRO 228 N 3.99 0.42 0.05 2.88 0.11 -1.97 -2.85 132.00 134.62 3ihg h PRO 228 Ca -0.49 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.33 3ihg h PRO 228 Cb 1.18 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3ihg h PRO 228 CO 0.62 0.28 -1.38 0.93 -0.21 0.00 0.00 178.00 178.24 3ihg h GLU 229 N 0.44 0.10 -3.28 1.05 5.08 -1.96 -3.49 114.58 112.51 3ihg h GLU 229 Ca 0.59 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 3ihg h GLU 229 Cb 1.13 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 3ihg h GLU 229 CO -0.52 0.92 -0.01 -0.59 -1.00 0.00 0.00 179.01 177.80 3ihg s PHE 230 N -2.65 -0.28 -0.11 4.33 -0.12 -1.08 -5.16 117.98 112.92 3ihg s PHE 230 Ca -0.04 0.01 -0.02 0.00 -0.05 0.00 0.00 56.93 56.82 3ihg s PHE 230 Cb 0.08 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 3ihg s PHE 230 CO 0.83 -0.73 -0.01 0.21 -0.05 0.00 0.00 175.22 175.48 3ihg s LYS 231 N -3.71 3.18 0.00 1.99 2.20 -1.26 -2.30 119.74 119.83 3ihg s LYS 231 Ca 0.02 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 3ihg s LYS 231 Cb 0.01 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 3ihg s LYS 231 CO -0.12 0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.85 3ihg n GLY 232 N 2.55 0.95 3.18 5.54 0.00 -0.74 0.11 105.19 116.79 3ihg n GLY 232 Ca -0.18 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.33 0.16 -0.12 2.61 -4.23 -0.32 0.20 115.64 111.61 3ihg s THR 233 Ca 0.00 -1.38 -0.08 0.00 -1.18 0.00 0.00 61.69 59.05 3ihg s THR 233 Cb 0.00 -1.44 0.04 0.00 1.34 0.00 0.00 72.50 72.44 3ihg s THR 233 CO 0.00 -0.71 0.30 0.12 -0.54 0.00 0.00 174.62 173.80 3ihg s PHE 234 N -3.89 -0.40 0.16 3.99 5.36 0.34 -1.23 117.98 122.32 3ihg s PHE 234 Ca 0.07 0.91 -0.03 0.00 -0.96 0.00 0.00 56.93 56.92 3ihg s PHE 234 Cb 0.06 0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.82 3ihg s PHE 234 CO -0.10 -0.24 0.13 0.20 -1.46 0.00 0.00 175.22 173.76 3ihg s GLY 235 N 0.95 1.00 0.66 13.12 0.00 -0.76 -1.07 107.32 121.21 3ihg s GLY 235 Ca -0.06 -1.41 -0.04 0.00 0.00 0.00 0.00 44.72 43.21 3ihg s GLY 235 CO -0.07 -1.25 0.94 2.56 0.00 0.00 0.00 173.10 175.28 3ihg s PRO 236 N -4.06 2.29 0.25 2.90 0.04 -1.26 -1.00 135.00 134.15 3ihg s PRO 236 Ca 0.27 -0.42 0.03 0.00 0.04 0.00 0.00 61.00 60.91 3ihg s PRO 236 Cb 0.06 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 3ihg s PRO 236 CO 0.04 -1.09 0.10 0.25 0.04 0.00 0.00 177.00 176.35 3ihg n THR 237 N -2.75 0.00 0.94 1.26 -2.24 -1.08 -4.67 114.28 105.74 3ihg n THR 237 Ca 0.08 -1.51 0.11 0.00 -2.27 0.00 0.00 64.05 60.46 3ihg n THR 237 Cb 0.60 0.57 0.53 0.00 -2.10 0.00 0.00 70.33 69.94 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 -1.78 0.00 -4.68 3.42 5.68 -1.26 -4.61 116.55 113.33 3ihg n ASP 238 Ca -0.03 0.22 -0.36 0.00 -0.50 0.00 0.00 54.79 54.13 3ihg n ASP 238 Cb 0.39 -0.39 -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 -2.78 4.10 0.00 0.11 1.81 -1.26 -4.91 118.95 116.02 3ihg s ARG 239 Ca 0.17 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 53.93 3ihg s ARG 239 Cb 0.15 -3.51 0.06 0.00 -0.45 0.00 0.00 34.95 31.20 3ihg s ARG 239 CO 0.38 0.12 0.94 -0.35 -0.68 0.00 0.00 175.30 175.71 3ihg n PRO 240 N 4.08 0.01 -0.08 3.54 -0.04 -1.26 -1.72 135.00 139.54 3ihg n PRO 240 Ca -0.15 0.37 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 3ihg n PRO 240 Cb 0.52 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.39 2.41 -4.17 3.54 5.68 -1.26 -4.77 116.55 116.59 3ihg n ASP 241 Ca 0.00 -1.70 -0.30 0.00 -0.50 0.00 0.00 54.79 52.30 3ihg n ASP 241 Cb 0.01 -0.10 -0.17 0.00 -1.14 0.00 0.00 41.12 39.73 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 -1.01 2.57 0.08 0.11 3.52 -0.70 -1.18 118.95 122.34 3ihg s ARG 242 Ca 0.19 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 3ihg s ARG 242 Cb 0.11 -2.01 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 3ihg s ARG 242 CO 0.16 0.16 -0.03 -1.01 -0.81 0.00 0.00 175.30 173.77 3ihg s HIS 243 N 0.36 0.71 0.14 5.12 3.76 -0.41 -2.65 115.29 122.32 3ihg s HIS 243 Ca -0.16 -1.03 0.11 0.00 -0.15 0.00 0.00 55.06 53.83 3ihg s HIS 243 Cb -0.17 -0.45 -0.04 0.00 1.11 0.00 0.00 32.58 33.03 3ihg s HIS 243 CO 0.07 -0.31 -0.24 0.95 -0.85 0.00 0.00 174.74 174.36 3ihg s THR 244 N -3.82 2.45 -0.06 1.30 -4.23 -0.18 -1.13 115.64 109.97 3ihg s THR 244 Ca 0.11 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 3ihg s THR 244 Cb 0.07 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.82 3ihg s THR 244 CO -0.07 0.04 0.13 -0.22 -0.54 0.00 0.00 174.62 173.96 3ihg s LEU 245 N -2.23 1.00 -0.03 4.79 2.96 0.12 -1.83 118.68 123.46 3ihg s LEU 245 Ca 0.17 0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.41 3ihg s LEU 245 Cb -0.10 0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.92 3ihg s LEU 245 CO 0.08 -0.11 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.40 3ihg s PHE 246 N 0.83 2.16 -0.05 5.38 0.08 -0.36 -0.26 117.98 125.75 3ihg s PHE 246 Ca -0.06 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.52 3ihg s PHE 246 Cb -0.08 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 3ihg s PHE 246 CO -0.04 -0.07 -0.02 0.08 -0.10 0.00 0.00 175.22 175.06 3ihg s VAL 247 N -0.46 0.45 0.46 -0.44 1.01 -0.89 -1.17 120.40 119.37 3ihg s VAL 247 Ca 0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 3ihg s VAL 247 Cb -0.10 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.67 3ihg s VAL 247 CO 0.00 0.23 1.08 -0.70 0.00 0.00 0.00 175.10 175.71 3ihg s GLU 248 N 1.34 3.87 0.02 2.72 2.12 0.30 -1.25 118.70 127.81 3ihg s GLU 248 Ca -0.05 1.52 -0.17 0.00 0.36 0.00 0.00 54.97 56.64 3ihg s GLU 248 Cb -0.13 -2.29 0.03 0.00 0.26 0.00 0.00 34.13 31.99 3ihg s GLU 248 CO -0.02 -0.40 0.36 1.52 -0.54 0.00 0.00 175.26 176.18 3ihg s TYR 249 N -1.77 -0.21 -0.29 5.30 -0.85 -0.81 -4.61 117.35 114.10 3ihg s TYR 249 Ca 0.64 0.23 -0.09 0.00 -0.52 0.00 0.00 57.07 57.33 3ihg s TYR 249 Cb -0.21 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.26 3ihg s TYR 249 CO 0.26 -0.49 0.13 0.34 -1.52 0.00 0.00 175.55 174.28 3ihg s ASP 250 N -1.71 5.48 0.28 -0.18 -1.08 -1.26 -4.14 116.67 114.05 3ihg s ASP 250 Ca -0.09 -0.42 0.13 0.00 -0.52 0.00 0.00 52.55 51.65 3ihg s ASP 250 Cb -0.02 -1.99 0.31 0.00 -1.46 0.00 0.00 42.92 39.76 3ihg s ASP 250 CO 0.01 -0.15 1.57 -0.65 0.52 0.00 0.00 175.17 176.47 3ihg h PRO 251 N 8.32 0.00 0.00 4.34 0.11 -1.95 -1.82 132.00 141.00 3ihg h PRO 251 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3ihg h PRO 251 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ihg h PRO 251 CO 0.60 0.60 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.48 3ihg h ASP 252 N 0.00 0.00 -0.06 -2.05 3.32 -1.93 -0.77 116.42 114.93 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 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3ihg h ASP 252 CO 0.08 0.07 0.00 1.21 -1.72 0.00 0.00 179.24 178.88 3ihg n GLU 253 N -3.20 1.70 0.00 3.56 4.07 -1.22 -4.94 120.64 120.61 3ihg n GLU 253 Ca 0.00 -1.03 0.00 0.00 -0.06 0.00 0.00 57.16 56.08 3ihg n GLU 253 Cb 0.35 -1.46 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 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 1.17 0.55 3.77 8.31 0.00 -0.29 -5.06 105.19 113.63 3ihg n GLY 254 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.85 4.65 0.13 1.61 2.02 -0.69 -5.00 118.70 120.57 3ihg s GLU 255 Ca 0.00 1.25 0.03 0.00 0.02 0.00 0.00 54.97 56.27 3ihg s GLU 255 Cb 0.00 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 3ihg s GLU 255 CO 0.00 0.55 -0.08 1.03 0.02 0.00 0.00 175.26 176.78 3ihg s ARG 256 N -1.18 0.97 0.40 1.61 1.81 -1.26 -3.88 118.95 117.42 3ihg s ARG 256 Ca 0.37 -1.41 0.07 0.00 -1.72 0.00 0.00 55.73 53.05 3ihg s ARG 256 Cb -0.24 -0.44 0.84 0.00 -0.45 0.00 0.00 34.95 34.66 3ihg s ARG 256 CO 0.28 0.03 2.04 -1.35 -0.68 0.00 0.00 175.30 175.62 3ihg h PRO 257 N 2.85 0.58 -0.88 3.54 0.11 -1.98 -2.28 132.00 133.94 3ihg h PRO 257 Ca -0.36 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 65.95 3ihg h PRO 257 Cb 1.18 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3ihg h PRO 257 CO 0.64 0.38 0.62 0.93 -0.21 0.00 0.00 178.00 180.36 3ihg h GLU 258 N 0.60 0.11 -0.06 1.05 4.39 -2.00 -1.33 114.58 117.34 3ihg h GLU 258 Ca 0.18 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3ihg h GLU 258 Cb 0.01 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3ihg h GLU 258 CO -0.04 0.08 0.00 -0.40 -1.16 0.00 0.00 179.01 177.48 3ihg n ASP 259 N -4.35 0.96 -3.91 1.42 5.68 -0.86 -4.13 116.55 111.37 3ihg n ASP 259 Ca 0.18 -1.45 -0.43 0.00 -0.50 0.00 0.00 54.79 52.60 3ihg n ASP 259 Cb 0.87 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.82 3ihg n ASP 259 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3ihg n PHE 260 N -0.20 3.12 -1.26 2.11 3.01 -0.50 -4.79 117.46 118.95 3ihg n PHE 260 Ca 0.18 -2.84 -0.30 0.00 1.01 0.00 0.00 57.45 55.50 3ihg n PHE 260 Cb 0.24 -1.98 0.11 0.00 -0.01 0.00 0.00 39.48 37.84 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 0.56 3.09 0.48 4.37 -4.23 -1.26 -4.78 115.64 113.87 3ihg s THR 261 Ca 0.40 0.36 0.30 0.00 -1.18 0.00 0.00 61.69 61.56 3ihg s THR 261 Cb 0.09 -2.86 0.49 0.00 1.34 0.00 0.00 72.50 71.56 3ihg s THR 261 CO 0.00 -0.46 1.76 -0.65 -0.54 0.00 0.00 174.62 174.73 3ihg h PRO 262 N -1.27 0.16 0.36 3.99 0.11 -1.96 -0.46 132.00 132.93 3ihg h PRO 262 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3ihg h PRO 262 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ihg h PRO 262 CO 0.53 0.10 -0.17 1.96 -0.21 0.00 0.00 178.00 180.21 3ihg h GLN 263 N 0.16 -0.47 -0.82 1.05 1.08 -1.96 -0.25 115.11 113.90 3ihg h GLN 263 Ca 0.62 0.03 0.19 0.00 -1.45 0.00 0.00 58.65 58.04 3ihg h GLN 263 Cb 2.08 0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 29.50 3ihg h GLN 263 CO -0.17 -0.31 0.27 -0.09 -0.95 0.00 0.00 178.83 177.58 3ihg h ARG 264 N -0.56 0.32 0.47 1.46 9.65 -1.78 0.09 114.38 124.04 3ihg h ARG 264 Ca -0.05 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 3ihg h ARG 264 Cb 0.37 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3ihg h ARG 264 CO 0.08 0.21 -0.32 0.00 2.80 0.00 0.00 179.97 182.74 3ihg h VAL 266 N -0.77 1.09 0.12 0.00 2.07 -0.58 0.19 116.25 118.38 3ihg h VAL 266 Ca -0.05 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3ihg h VAL 266 Cb 0.64 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3ihg h VAL 266 CO 0.03 0.14 -0.06 -0.08 0.02 0.00 0.00 177.57 177.62 3ihg h GLU 267 N 0.75 -0.16 -0.91 1.57 4.81 -0.12 -0.59 114.58 119.94 3ihg h GLU 267 Ca 0.25 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 3ihg h GLU 267 Cb 0.06 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.40 3ihg h GLU 267 CO -0.07 0.12 0.56 -0.07 -0.73 0.00 0.00 179.01 178.82 3ihg h LEU 268 N -0.44 0.84 -1.24 1.64 3.38 0.51 -0.36 115.31 119.64 3ihg h LEU 268 Ca -0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ihg h LEU 268 Cb 0.36 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3ihg h LEU 268 CO 0.03 0.50 0.45 0.40 0.09 0.00 0.00 178.44 179.91 3ihg h ILE 269 N 0.96 1.20 -0.60 1.22 2.04 -0.86 0.48 117.51 121.94 3ihg h ILE 269 Ca 0.42 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 3ihg h ILE 269 Cb 0.31 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3ihg h ILE 269 CO -0.22 0.20 0.12 1.23 0.00 0.00 0.00 178.15 179.48 3ihg h GLY 270 N 1.01 1.05 1.01 5.37 0.00 -0.11 -2.22 103.07 109.17 3ihg h GLY 270 Ca 0.26 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 3ihg h GLY 270 CO -0.05 0.63 -0.35 1.41 0.00 0.00 0.00 176.54 178.18 3ihg h LEU 271 N 0.88 0.81 -1.31 3.11 3.38 -0.52 0.91 115.31 122.57 3ihg h LEU 271 Ca 0.18 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 3ihg h LEU 271 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3ihg h LEU 271 CO 0.01 1.14 0.00 0.00 0.09 0.00 0.00 178.44 179.68 3ihg h ALA 272 N 0.70 1.44 0.00 1.53 0.00 -0.04 -2.97 119.26 119.92 3ihg h ALA 272 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ihg h ALA 272 Cb 0.94 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ihg h ALA 272 CO 0.08 0.40 -1.07 1.28 0.00 0.00 0.00 179.25 179.94 3ihg n LEU 273 N -4.30 0.65 -3.99 0.00 4.77 -0.84 -0.53 117.00 112.75 3ihg n LEU 273 Ca 0.01 -0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.53 3ihg n LEU 273 Cb 0.23 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3ihg n LEU 273 CO 0.38 0.11 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.84 3ihg n ASP 274 N -1.81 -2.68 -3.58 -1.43 -0.08 0.30 -4.25 116.55 103.02 3ihg n ASP 274 Ca 0.02 -0.92 -0.15 0.00 -1.51 0.00 0.00 54.79 52.23 3ihg n ASP 274 Cb 0.41 -3.34 -0.13 0.00 2.34 0.00 0.00 41.12 40.39 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 -3.52 -0.44 -2.07 -1.67 0.00 -1.11 -5.02 121.76 107.93 3ihg s ALA 275 Ca 0.43 0.65 0.17 0.00 0.00 0.00 0.00 51.96 53.20 3ihg s ALA 275 Cb -0.22 -1.14 0.47 0.00 0.00 0.00 0.00 23.12 22.23 3ihg s ALA 275 CO 0.87 -0.87 1.39 -2.30 0.00 0.00 0.00 175.76 174.85 3ihg n PRO 276 N 5.34 2.13 0.00 0.00 -0.02 -1.26 -3.97 135.00 137.22 3ihg n PRO 276 Ca -0.06 -1.75 0.09 0.00 -2.02 0.00 0.00 63.50 59.76 3ihg n PRO 276 Cb 0.50 -1.40 0.54 0.00 -0.02 0.00 0.00 33.50 33.12 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 0.93 0.60 -2.81 -0.52 2.13 -1.26 -4.84 120.64 114.86 3ihg n GLU 277 Ca 0.17 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.57 3ihg n GLU 277 Cb 0.42 -1.48 -0.03 0.00 0.27 0.00 0.00 31.44 30.62 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 -2.00 4.84 -0.37 6.31 -7.23 -1.25 -5.01 120.40 115.68 3ihg s VAL 278 Ca 0.27 1.78 0.01 0.00 -1.81 0.00 0.00 61.98 62.23 3ihg s VAL 278 Cb 0.13 -4.20 0.11 0.00 0.56 0.00 0.00 36.38 32.97 3ihg s VAL 278 CO 0.21 0.00 0.12 -0.54 -0.31 0.00 0.00 175.10 174.59 3ihg s LYS 279 N 2.18 1.73 0.61 4.82 1.02 -1.26 -5.00 119.74 123.85 3ihg s LYS 279 Ca 0.42 -1.86 -0.10 0.00 0.02 0.00 0.00 55.97 54.44 3ihg s LYS 279 Cb -0.17 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3ihg s LYS 279 CO 0.13 -1.00 1.00 -1.25 -0.92 0.00 0.00 175.35 173.31 3ihg s PRO 280 N 1.00 3.46 -0.19 -1.68 0.04 -1.26 -4.80 135.00 131.57 3ihg s PRO 280 Ca 0.10 0.60 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 3ihg s PRO 280 Cb -0.21 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3ihg s PRO 280 CO -0.06 -0.59 -0.13 -1.21 0.04 0.00 0.00 177.00 175.05 3ihg s GLU 281 N -5.14 3.18 -0.16 4.56 0.41 -0.08 -4.94 118.70 116.54 3ihg s GLU 281 Ca 0.54 -0.74 -0.25 0.00 -0.41 0.00 0.00 54.97 54.12 3ihg s GLU 281 Cb -0.11 -2.74 -0.02 0.00 -1.78 0.00 0.00 34.13 29.49 3ihg s GLU 281 CO 0.52 -0.15 0.79 -0.51 -0.49 0.00 0.00 175.26 175.42 3ihg s LEU 282 N 1.24 4.19 -0.18 1.80 1.43 -1.26 0.21 118.68 126.10 3ihg s LEU 282 Ca 0.03 1.14 -0.23 0.00 -1.03 0.00 0.00 54.13 54.04 3ihg s LEU 282 Cb -0.14 -3.18 -0.20 0.00 0.03 0.00 0.00 46.19 42.70 3ihg s LEU 282 CO -0.06 -0.35 0.35 0.58 0.23 0.00 0.00 176.35 177.10 3ihg h VAL 283 N 5.13 1.11 -2.66 -1.59 2.07 -1.19 -3.49 116.25 115.62 3ihg h VAL 283 Ca -0.31 -2.14 -0.11 0.00 0.82 0.00 0.00 66.70 64.96 3ihg h VAL 283 Cb 1.14 2.40 -0.24 0.00 -1.52 0.00 0.00 31.29 33.07 3ihg h VAL 283 CO 0.82 0.38 -0.22 -0.62 0.02 0.00 0.00 177.57 177.94 3ihg s ASP 284 N -6.58 -0.47 -0.32 0.57 2.15 -1.08 -4.99 116.67 105.95 3ihg s ASP 284 Ca -0.24 0.89 0.02 0.00 0.43 0.00 0.00 52.55 53.64 3ihg s ASP 284 Cb 0.03 0.88 0.10 0.00 -0.30 0.00 0.00 42.92 43.62 3ihg s ASP 284 CO 0.59 -0.16 0.06 -0.63 -0.17 0.00 0.00 175.17 174.85 3ihg s ILE 285 N 0.48 1.60 -0.02 4.11 1.01 -1.26 -2.02 121.20 125.10 3ihg s ILE 285 Ca -0.02 -1.82 0.05 0.00 0.00 0.00 0.00 60.65 58.86 3ihg s ILE 285 Cb -0.04 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 3ihg s ILE 285 CO -0.02 -0.58 -0.18 -1.58 0.00 0.00 0.00 174.94 172.58 3ihg s GLN 286 N 1.26 1.57 0.11 2.79 0.74 -0.11 -4.97 119.66 121.05 3ihg s GLN 286 Ca 0.09 -0.65 -0.15 0.00 0.05 0.00 0.00 55.36 54.69 3ihg s GLN 286 Cb -0.18 -1.48 -0.07 0.00 1.10 0.00 0.00 33.01 32.38 3ihg s GLN 286 CO -0.15 0.37 0.53 0.20 -0.55 0.00 0.00 175.29 175.69 3ihg s GLY 287 N -0.34 2.51 -0.01 2.59 0.00 -1.26 0.19 107.32 110.99 3ihg s GLY 287 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.66 3ihg s GLY 287 CO -0.00 0.21 0.02 0.86 0.00 0.00 0.00 173.10 174.19 3ihg s TRP 288 N -1.34 0.03 -0.32 1.90 -0.00 0.11 -4.95 118.94 114.37 3ihg s TRP 288 Ca 0.34 0.08 -0.10 0.00 -0.00 0.00 0.00 56.10 56.42 3ihg s TRP 288 Cb -0.16 -0.17 0.00 0.00 -0.00 0.00 0.00 33.47 33.14 3ihg s TRP 288 CO 0.18 -0.06 0.17 -2.00 -0.00 0.00 0.00 176.95 175.24 3ihg s GLU 289 N 0.73 3.23 0.33 5.86 2.12 -1.26 -1.28 118.70 128.43 3ihg s GLU 289 Ca -0.06 -0.80 -0.17 0.00 0.36 0.00 0.00 54.97 54.30 3ihg s GLU 289 Cb -0.09 -3.61 -0.09 0.00 0.26 0.00 0.00 34.13 30.60 3ihg s GLU 289 CO -0.02 -0.48 0.78 -1.64 -0.54 0.00 0.00 175.26 173.36 3ihg s MET 290 N 1.60 4.10 0.28 4.30 -1.94 0.42 -4.98 119.30 123.07 3ihg s MET 290 Ca 0.04 0.80 -0.21 0.00 -1.71 0.00 0.00 55.69 54.61 3ihg s MET 290 Cb -0.17 -2.45 0.02 0.00 2.01 0.00 0.00 34.83 34.23 3ihg s MET 290 CO 0.06 0.16 0.72 0.00 -0.01 0.00 0.00 175.02 175.95 3ihg s ALA 291 N -1.95 -1.22 -0.18 3.03 0.00 -1.26 -0.17 121.76 120.00 3ihg s ALA 291 Ca 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3ihg s ALA 291 Cb -0.11 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.90 3ihg s ALA 291 CO 0.17 -1.04 -0.07 0.00 0.00 0.00 0.00 175.76 174.82 3ihg s ALA 292 N -3.91 1.73 -0.04 0.00 0.00 -0.71 -2.45 121.76 116.38 3ihg s ALA 292 Ca 0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 3ihg s ALA 292 Cb -0.06 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.88 3ihg s ALA 292 CO 0.07 -0.82 0.08 1.03 0.00 0.00 0.00 175.76 176.12 3ihg s ARG 293 N 1.52 0.04 -0.10 0.00 0.52 0.31 -1.39 118.95 119.84 3ihg s ARG 293 Ca -0.01 0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.47 3ihg s ARG 293 Cb -0.16 -0.16 0.01 0.00 0.52 0.00 0.00 34.95 35.16 3ihg s ARG 293 CO -0.08 -0.13 -0.18 0.42 0.02 0.00 0.00 175.30 175.35 3ihg s ILE 294 N 0.90 1.66 0.39 1.52 1.01 -0.20 -0.35 121.20 126.13 3ihg s ILE 294 Ca -0.07 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 59.54 3ihg s ILE 294 Cb -0.10 -1.48 -0.10 0.00 0.01 0.00 0.00 42.46 40.79 3ihg s ILE 294 CO -0.04 0.47 1.46 0.00 0.00 0.00 0.00 174.94 176.84 3ihg s ALA 295 N 0.71 3.49 0.17 9.38 0.00 0.25 -1.08 121.76 134.69 3ihg s ALA 295 Ca -0.12 1.53 0.33 0.00 0.00 0.00 0.00 51.96 53.69 3ihg s ALA 295 Cb -0.16 -3.60 1.39 0.00 0.00 0.00 0.00 23.12 20.75 3ihg s ALA 295 CO 0.03 -1.06 2.00 0.93 0.00 0.00 0.00 175.76 177.65 3ihg h GLU 296 N 2.87 0.00 -2.97 0.00 5.08 -1.29 -3.44 114.58 114.83 3ihg h GLU 296 Ca -0.51 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.71 3ihg h GLU 296 Cb 1.24 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.25 3ihg h GLU 296 CO 0.64 0.04 -0.34 1.03 -1.00 0.00 0.00 179.01 179.38 3ihg s ARG 297 N -3.74 0.40 -0.04 2.33 0.52 -1.26 -5.04 118.95 112.11 3ihg s ARG 297 Ca 0.00 0.38 0.11 0.00 -0.52 0.00 0.00 55.73 55.71 3ihg s ARG 297 Cb 0.10 0.19 0.32 0.00 0.52 0.00 0.00 34.95 36.08 3ihg s ARG 297 CO 0.55 -0.06 1.26 0.91 0.02 0.00 0.00 175.30 177.98 3ihg n TRP 298 N 2.75 0.50 -3.64 -0.53 7.02 -1.26 -4.84 117.44 117.45 3ihg n TRP 298 Ca -0.14 -0.60 -0.05 0.00 -1.02 0.00 0.00 57.50 55.69 3ihg n TRP 298 Cb 0.58 -0.10 -0.07 0.00 -2.42 0.00 0.00 31.31 29.30 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 -1.47 0.40 -0.15 -0.99 3.52 -1.26 -1.82 118.95 117.18 3ihg s ARG 299 Ca 0.25 0.56 -0.04 0.00 -0.13 0.00 0.00 55.73 56.37 3ihg s ARG 299 Cb 0.16 0.15 0.05 0.00 -1.56 0.00 0.00 34.95 33.75 3ihg s ARG 299 CO 0.12 -0.06 0.06 -2.00 -0.81 0.00 0.00 175.30 172.61 3ihg s GLU 300 N 0.68 0.26 4.50 5.12 2.12 -0.68 -5.02 118.70 125.68 3ihg s GLU 300 Ca -0.02 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.20 3ihg s GLU 300 Cb -0.04 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.66 3ihg s GLU 300 CO -0.11 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.43 3ihg n GLY 301 N 5.20 0.65 0.02 -1.50 0.00 -1.26 -1.41 105.19 106.89 3ihg n GLY 301 Ca -0.07 0.58 0.02 0.00 0.00 0.00 0.00 46.02 46.54 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 2.43 -3.87 1.61 1.74 -1.26 -4.97 116.66 112.34 3ihg n ARG 302 Ca 0.00 -1.63 -0.35 0.00 -0.77 0.00 0.00 57.85 55.10 3ihg n ARG 302 Cb 0.00 -1.05 -0.05 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.27 5.45 0.04 1.55 1.01 -0.50 -0.69 120.40 125.99 3ihg s VAL 303 Ca 0.06 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3ihg s VAL 303 Cb 0.05 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3ihg s VAL 303 CO 0.01 0.48 -0.08 -0.36 0.00 0.00 0.00 175.10 175.14 3ihg s PHE 304 N -1.17 0.72 0.01 5.22 0.08 0.16 -1.69 117.98 121.30 3ihg s PHE 304 Ca 0.21 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.82 3ihg s PHE 304 Cb -0.12 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 3ihg s PHE 304 CO 0.11 -0.06 0.09 -0.51 -0.10 0.00 0.00 175.22 174.75 3ihg s LEU 305 N -1.41 3.93 -0.10 -0.37 1.43 -0.76 0.11 118.68 121.52 3ihg s LEU 305 Ca -0.07 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3ihg s LEU 305 Cb -0.09 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.81 3ihg s LEU 305 CO 0.01 0.25 0.29 0.00 0.23 0.00 0.00 176.35 177.13 3ihg s ALA 306 N -1.24 -0.72 0.00 4.21 0.00 -0.86 -4.81 121.76 118.34 3ihg s ALA 306 Ca 0.24 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3ihg s ALA 306 Cb -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3ihg s ALA 306 CO 0.16 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3ihg n GLY 307 N 2.71 0.35 0.29 0.00 0.00 -1.26 -3.58 105.19 103.70 3ihg n GLY 307 Ca -0.14 -1.15 0.05 0.00 0.00 0.00 0.00 46.02 44.78 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 6.58 0.30 -0.85 1.61 5.19 -1.88 -1.71 116.42 125.68 3ihg h ASP 308 Ca 0.00 -0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.45 3ihg h ASP 308 Cb 0.00 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.38 3ihg h ASP 308 CO 0.00 0.22 0.56 0.00 -3.12 0.00 0.00 179.24 176.89 3ihg h ALA 309 N 1.83 1.52 0.00 3.45 0.00 -1.57 -2.34 119.26 122.15 3ihg h ALA 309 Ca 0.10 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 3ihg h ALA 309 Cb -0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3ihg h ALA 309 CO -0.02 0.38 -1.21 0.00 0.00 0.00 0.00 179.25 178.40 3ihg h ALA 310 N 1.52 0.60 -1.48 0.00 0.00 -1.54 -3.43 119.26 114.92 3ihg h ALA 310 Ca 0.35 -0.98 0.12 0.00 0.00 0.00 0.00 54.91 54.40 3ihg h ALA 310 Cb 0.11 0.14 -0.24 0.00 0.00 0.00 0.00 17.79 17.80 3ihg h ALA 310 CO -0.11 1.17 0.20 -1.59 0.00 0.00 0.00 179.25 178.92 3ihg s LYS 311 N -2.77 0.42 -0.18 0.00 0.00 -0.70 0.88 119.74 117.39 3ihg s LYS 311 Ca -0.01 0.88 -0.06 0.00 0.00 0.00 0.00 55.97 56.78 3ihg s LYS 311 Cb 0.09 0.34 -0.04 0.00 0.00 0.00 0.00 37.83 38.22 3ihg s LYS 311 CO 0.81 -0.11 0.04 0.08 0.00 0.00 0.00 175.35 176.16 3ihg s VAL 312 N 2.01 4.51 0.31 1.79 1.01 0.52 -3.86 120.40 126.69 3ihg s VAL 312 Ca -0.06 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.88 3ihg s VAL 312 Cb -0.06 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 3ihg s VAL 312 CO -0.17 0.46 0.01 0.28 0.00 0.00 0.00 175.10 175.68 3ihg s THR 313 N 0.49 3.00 0.56 3.92 -1.32 -1.25 -0.53 115.64 120.51 3ihg s THR 313 Ca 0.01 -1.93 -0.19 0.00 -1.21 0.00 0.00 61.69 58.37 3ihg s THR 313 Cb -0.13 -2.81 -0.05 0.00 -1.51 0.00 0.00 72.50 68.00 3ihg s THR 313 CO 0.01 -0.28 1.16 -2.84 -2.21 0.00 0.00 174.62 170.46 3ihg s PRO 314 N -3.71 3.25 0.19 7.08 0.02 -1.03 -4.55 135.00 136.25 3ihg s PRO 314 Ca 0.34 1.69 0.21 0.00 0.02 0.00 0.00 61.00 63.26 3ihg s PRO 314 Cb -0.03 -2.00 0.88 0.00 0.02 0.00 0.00 34.50 33.37 3ihg s PRO 314 CO 0.20 -0.95 1.65 -0.35 -0.33 0.00 0.00 177.00 177.21 3ihg n PRO 315 N -1.36 0.14 -1.61 5.54 -0.04 -1.26 -4.74 135.00 131.67 3ihg n PRO 315 Ca 0.12 0.37 -0.48 0.00 -0.04 0.00 0.00 63.50 63.47 3ihg n PRO 315 Cb 0.50 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.03 0.44 0.00 0.52 -2.24 -1.26 -1.69 114.28 108.02 3ihg n THR 316 Ca 0.03 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3ihg n THR 316 Cb 0.22 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 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 5.21 1.13 3.71 3.38 0.00 -1.26 -4.31 105.19 113.06 3ihg n GLY 317 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.60 -0.95 0.00 -0.02 0.00 -0.68 -4.92 105.19 97.01 3ihg n GLY 318 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.24 5.58 0.03 1.61 2.81 -1.26 -4.69 117.12 116.96 3ihg n MET 319 Ca -0.10 -0.09 -0.14 0.00 -1.81 0.00 0.00 57.70 55.56 3ihg n MET 319 Cb 0.59 -0.59 -0.09 0.00 -0.71 0.00 0.00 33.22 32.42 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 -1.54 0.11 7.83 0.02 -1.85 -0.89 113.55 117.23 3ihg h SER 320 Ca 0.00 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3ihg h SER 320 Cb 0.00 0.59 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3ihg h SER 320 CO 0.00 -0.46 -0.05 1.23 -1.14 0.00 0.00 176.83 176.40 3ihg h GLY 321 N -0.58 -0.15 0.22 -3.77 0.00 -1.91 -2.94 103.07 93.93 3ihg h GLY 321 Ca 0.02 0.06 0.26 0.00 0.00 0.00 0.00 47.33 47.66 3ihg h GLY 321 CO -0.36 -0.06 0.64 3.43 0.00 0.00 0.00 176.54 180.20 3ihg h ASN 322 N -0.50 0.01 0.09 0.19 2.35 -1.82 -1.85 115.58 114.05 3ihg h ASN 322 Ca -0.01 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.45 3ihg h ASN 322 Cb 0.41 -0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.81 3ihg h ASN 322 CO 0.02 0.00 -1.16 0.00 -1.65 0.00 0.00 177.43 174.64 3ihg h ALA 323 N 1.55 0.01 -0.05 -0.83 0.00 -0.97 -3.01 119.26 115.97 3ihg h ALA 323 Ca 0.42 -0.75 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3ihg h ALA 323 Cb 1.70 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 3ihg h ALA 323 CO -0.01 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.91 3ihg h ALA 324 N 0.30 0.04 -0.67 0.00 0.00 -1.38 -0.35 119.26 117.20 3ihg h ALA 324 Ca -0.17 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3ihg h ALA 324 Cb 1.84 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.57 3ihg h ALA 324 CO 0.22 -0.47 0.28 0.28 0.00 0.00 0.00 179.25 179.56 3ihg h VAL 325 N 0.03 0.77 -0.25 0.00 2.07 -1.43 0.14 116.25 117.58 3ihg h VAL 325 Ca 0.02 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 3ihg h VAL 325 Cb 0.02 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3ihg h VAL 325 CO -0.03 0.09 -0.39 0.00 0.02 0.00 0.00 177.57 177.26 3ihg h ALA 326 N 1.45 0.38 -0.76 1.67 0.00 -1.37 -1.16 119.26 119.46 3ihg h ALA 326 Ca 0.34 -0.45 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3ihg h ALA 326 Cb 0.43 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 3ihg h ALA 326 CO -0.32 0.48 0.39 -0.44 0.00 0.00 0.00 179.25 179.36 3ihg h ASP 327 N 0.42 0.50 0.11 0.00 3.32 -0.41 -0.19 116.42 120.17 3ihg h ASP 327 Ca 0.02 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ihg h ASP 327 Cb 0.99 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3ihg h ASP 327 CO 0.09 0.26 -0.11 1.23 -1.72 0.00 0.00 179.24 178.99 3ihg h GLY 328 N 0.63 -0.23 0.33 2.75 0.00 -0.51 -0.57 103.07 105.46 3ihg h GLY 328 Ca 0.39 0.13 0.12 0.00 0.00 0.00 0.00 47.33 47.97 3ihg h GLY 328 CO -0.30 -0.12 0.39 -2.75 0.00 0.00 0.00 176.54 173.76 3ihg h PHE 329 N -0.25 0.68 -0.02 5.60 3.57 -0.48 0.17 116.94 126.21 3ihg h PHE 329 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3ihg h PHE 329 Cb 0.24 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3ihg h PHE 329 CO -0.12 0.19 -0.02 0.22 -2.23 0.00 0.00 178.31 176.35 3ihg h ASP 330 N 0.60 0.06 -0.13 0.41 3.58 -0.72 -2.74 116.42 117.47 3ihg h ASP 330 Ca 0.41 -0.46 0.04 0.00 0.42 0.00 0.00 57.03 57.44 3ihg h ASP 330 Cb 0.52 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 3ihg h ASP 330 CO -0.33 0.51 -0.15 0.25 -2.88 0.00 0.00 179.24 176.64 3ihg h LEU 331 N -0.40 -0.48 -0.28 2.28 5.85 -0.92 -3.04 115.31 118.33 3ihg h LEU 331 Ca 0.00 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3ihg h LEU 331 Cb 0.49 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 3ihg h LEU 331 CO 0.00 -0.20 -0.17 0.00 -0.34 0.00 0.00 178.44 177.73 3ihg h ALA 332 N 0.87 0.03 -0.24 1.25 0.00 -0.60 0.26 119.26 120.83 3ihg h ALA 332 Ca 0.09 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 3ihg h ALA 332 Cb 0.33 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ihg h ALA 332 CO -0.24 -0.58 -0.59 0.11 0.00 0.00 0.00 179.25 177.95 3ihg h TRP 333 N -0.15 0.97 -0.05 0.00 5.08 -1.51 0.14 115.95 120.43 3ihg h TRP 333 Ca 0.15 -0.36 -0.00 0.00 1.08 0.00 0.00 58.89 59.76 3ihg h TRP 333 Cb 0.37 -0.18 -0.00 0.00 -3.00 0.00 0.00 29.16 26.36 3ihg h TRP 333 CO -0.36 1.16 0.02 0.87 -1.28 0.00 0.00 178.44 178.86 3ihg h LYS 334 N 0.57 0.07 -0.87 0.12 1.57 -1.47 -1.84 116.57 114.72 3ihg h LYS 334 Ca 0.00 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3ihg h LYS 334 Cb 1.18 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 3ihg h LYS 334 CO 0.12 0.18 0.52 -0.07 -0.57 0.00 0.00 179.45 179.63 3ihg h LEU 335 N -0.05 0.77 -0.14 2.94 3.38 -0.35 -2.55 115.31 119.31 3ihg h LEU 335 Ca 0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ihg h LEU 335 Cb 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ihg h LEU 335 CO -0.00 0.45 0.06 0.00 0.09 0.00 0.00 178.44 179.04 3ihg h ALA 336 N 1.46 0.18 -0.58 1.53 0.00 -0.87 0.88 119.26 121.87 3ihg h ALA 336 Ca 0.41 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3ihg h ALA 336 Cb 0.33 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ihg h ALA 336 CO -0.23 -0.25 0.36 0.00 0.00 0.00 0.00 179.25 179.13 3ihg h ALA 337 N 0.91 0.74 -0.38 0.00 0.00 -1.14 -0.22 119.26 119.16 3ihg h ALA 337 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3ihg h ALA 337 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ihg h ALA 337 CO -0.00 0.10 -0.22 0.28 0.00 0.00 0.00 179.25 179.41 3ihg h VAL 338 N 0.72 1.27 0.00 0.00 2.07 -1.21 0.88 116.25 119.98 3ihg h VAL 338 Ca 0.23 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 3ihg h VAL 338 Cb -0.01 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3ihg h VAL 338 CO -0.08 0.44 -0.48 -0.07 0.02 0.00 0.00 177.57 177.39 3ihg h LEU 339 N 0.65 0.00 -0.52 2.57 3.38 -0.03 -2.69 115.31 118.66 3ihg h LEU 339 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ihg h LEU 339 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3ihg h LEU 339 CO 0.05 0.48 -0.25 0.00 0.09 0.00 0.00 178.44 178.82 3ihg n GLN 340 N -3.67 0.88 -0.34 1.13 6.02 -0.17 -4.93 117.38 116.30 3ihg n GLN 340 Ca -0.01 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 3ihg n GLN 340 Cb 0.56 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 1.34 0.82 0.11 1.08 0.00 -0.91 -4.94 105.19 102.68 3ihg n GLY 341 Ca 0.12 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 2.06 0.00 -4.45 1.61 4.20 0.50 -3.47 115.11 115.57 3ihg h GLN 342 Ca 0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 3ihg h GLN 342 Cb 0.00 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.56 3ihg h GLN 342 CO 0.00 0.34 -0.73 0.00 -0.67 0.00 0.00 178.83 177.77 3ihg s ALA 343 N -2.96 0.49 0.81 3.87 0.00 -0.57 -4.91 121.76 118.50 3ihg s ALA 343 Ca -0.01 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 3ihg s ALA 343 Cb 0.08 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.33 3ihg s ALA 343 CO 0.79 -0.03 1.14 0.20 0.00 0.00 0.00 175.76 177.87 3ihg s GLY 344 N -1.42 1.60 0.55 0.00 0.00 -0.19 -4.15 107.32 103.72 3ihg s GLY 344 Ca -0.10 -0.50 0.36 0.00 0.00 0.00 0.00 44.72 44.48 3ihg s GLY 344 CO 0.00 -0.03 2.08 0.00 0.00 0.00 0.00 173.10 175.16 3ihg h ALA 345 N -1.10 1.00 -0.67 3.20 0.00 -1.88 -1.89 119.26 117.92 3ihg h ALA 345 Ca -0.47 0.00 0.17 0.00 0.00 0.00 0.00 54.91 54.61 3ihg h ALA 345 Cb 1.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3ihg h ALA 345 CO 0.64 0.00 0.47 0.78 0.00 0.00 0.00 179.25 181.14 3ihg h GLY 346 N 1.23 0.26 1.49 0.00 0.00 -1.90 -1.68 103.07 102.47 3ihg h GLY 346 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 3ihg h GLY 346 CO 0.00 0.02 -0.08 -2.00 0.00 0.00 0.00 176.54 174.48 3ihg h LEU 347 N 0.15 0.59 -2.65 3.11 5.85 -1.61 -2.06 115.31 118.69 3ihg h LEU 347 Ca 0.32 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3ihg h LEU 347 Cb 1.08 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3ihg h LEU 347 CO -0.05 0.71 0.03 -0.07 -0.34 0.00 0.00 178.44 178.72 3ihg h LEU 348 N 0.57 0.00 -0.64 2.25 3.38 -1.50 -1.01 115.31 118.36 3ihg h LEU 348 Ca 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3ihg h LEU 348 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3ihg h LEU 348 CO 0.03 0.00 -0.53 0.44 0.09 0.00 0.00 178.44 178.46 3ihg h ASP 349 N 0.00 0.00 0.27 -0.43 3.32 -1.49 -3.02 116.42 115.07 3ihg h ASP 349 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3ihg h ASP 349 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3ihg h ASP 349 CO 0.00 0.53 -0.10 0.71 -1.72 0.00 0.00 179.24 178.67 3ihg h THR 350 N 0.00 0.59 -0.38 0.35 1.35 -1.31 -2.59 112.91 110.92 3ihg h THR 350 Ca -0.01 -0.42 0.07 0.00 -0.55 0.00 0.00 66.41 65.51 3ihg h THR 350 Cb 1.13 1.27 -0.07 0.00 -1.73 0.00 0.00 68.15 68.74 3ihg h THR 350 CO 0.07 0.09 -0.06 0.22 -0.25 0.00 0.00 175.52 175.59 3ihg h TYR 351 N 0.00 -0.14 0.61 4.73 3.20 -1.62 -1.19 116.97 122.56 3ihg h TYR 351 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3ihg h TYR 351 Cb 0.26 0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.65 3ihg h TYR 351 CO 0.00 -0.13 -0.29 1.49 -1.64 0.00 0.00 178.16 177.58 3ihg h GLU 352 N 0.04 -0.79 -1.00 1.82 4.81 -1.66 0.22 114.58 118.02 3ihg h GLU 352 Ca 0.18 0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.65 3ihg h GLU 352 Cb 0.28 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 29.73 3ihg h GLU 352 CO -0.36 -0.48 0.61 -0.44 -0.73 0.00 0.00 179.01 177.61 3ihg h ASP 353 N -1.06 0.81 0.00 1.04 3.32 -1.35 0.17 116.42 119.35 3ihg h ASP 353 Ca -0.08 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3ihg h ASP 353 Cb 0.68 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3ihg h ASP 353 CO 0.14 0.31 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.42 3ihg h GLU 354 N 0.80 0.00 0.00 3.56 5.08 -1.25 -3.32 114.58 119.45 3ihg h GLU 354 Ca 0.57 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.83 3ihg h GLU 354 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3ihg h GLU 354 CO -0.36 0.79 -0.46 0.00 -1.00 0.00 0.00 179.01 177.97 3ihg h ARG 355 N -1.00 0.00 -0.66 2.33 2.47 -0.63 -2.14 114.38 114.75 3ihg h ARG 355 Ca -0.06 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 3ihg h ARG 355 Cb 0.86 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.15 3ihg h ARG 355 CO -0.03 0.46 0.09 -0.22 0.56 0.00 0.00 179.97 180.83 3ihg h LYS 356 N 0.00 1.10 0.27 0.04 3.64 -0.82 -0.40 116.57 120.40 3ihg h LYS 356 Ca -0.00 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 3ihg h LYS 356 Cb 1.16 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3ihg h LYS 356 CO 0.06 1.02 -0.13 0.28 -2.27 0.00 0.00 179.45 178.41 3ihg h VAL 357 N 1.03 0.78 -0.98 2.00 2.07 -1.61 -2.68 116.25 116.86 3ihg h VAL 357 Ca 0.20 -0.51 0.27 0.00 0.82 0.00 0.00 66.70 67.47 3ihg h VAL 357 Cb 0.46 1.06 -0.13 0.00 -1.52 0.00 0.00 31.29 31.16 3ihg h VAL 357 CO 0.02 0.11 0.54 0.00 0.02 0.00 0.00 177.57 178.26 3ihg h ALA 358 N 0.01 1.77 -0.48 1.67 0.00 -1.30 0.54 119.26 121.47 3ihg h ALA 358 Ca -0.04 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ihg h ALA 358 Cb 0.45 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ihg h ALA 358 CO 0.06 -0.39 0.29 0.00 0.00 0.00 0.00 179.25 179.21 3ihg h ALA 359 N 1.77 0.61 -0.41 0.00 0.00 -0.93 0.06 119.26 120.36 3ihg h ALA 359 Ca 0.66 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.53 3ihg h ALA 359 Cb 1.35 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3ihg h ALA 359 CO -0.54 0.11 0.22 0.93 0.00 0.00 0.00 179.25 179.97 3ihg h GLU 360 N 0.64 0.42 -0.60 0.00 5.08 0.29 0.59 114.58 121.00 3ihg h GLU 360 Ca 0.17 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3ihg h GLU 360 Cb 0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3ihg h GLU 360 CO -0.03 0.28 0.37 -0.07 -1.00 0.00 0.00 179.01 178.56 3ihg h LEU 361 N 0.44 0.60 -0.04 1.33 3.38 -0.33 -1.62 115.31 119.07 3ihg h LEU 361 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ihg h LEU 361 Cb 0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ihg h LEU 361 CO -0.11 0.42 0.01 0.58 0.09 0.00 0.00 178.44 179.43 3ihg h VAL 362 N 0.73 1.22 -0.75 1.22 2.07 -0.66 -2.17 116.25 117.90 3ihg h VAL 362 Ca 0.24 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.14 3ihg h VAL 362 Cb 0.02 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3ihg h VAL 362 CO -0.10 0.18 0.47 0.58 0.02 0.00 0.00 177.57 178.72 3ihg h VAL 363 N -0.19 1.08 -0.36 2.57 2.07 -0.78 -1.76 116.25 118.88 3ihg h VAL 363 Ca 0.01 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3ihg h VAL 363 Cb 0.28 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3ihg h VAL 363 CO 0.00 0.16 -0.15 0.00 0.02 0.00 0.00 177.57 177.60 3ihg h ALA 364 N 1.33 1.06 -0.20 1.67 0.00 -1.18 -1.26 119.26 120.68 3ihg h ALA 364 Ca 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ihg h ALA 364 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ihg h ALA 364 CO -0.13 0.57 0.03 1.49 0.00 0.00 0.00 179.25 181.22 3ihg h GLU 365 N 0.59 0.34 -0.50 0.00 4.57 -1.00 -0.89 114.58 117.68 3ihg h GLU 365 Ca 0.10 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3ihg h GLU 365 Cb 0.60 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3ihg h GLU 365 CO 0.04 0.49 0.29 0.00 -1.18 0.00 0.00 179.01 178.65 3ihg h ALA 366 N 0.84 0.64 0.11 2.92 0.00 -1.15 0.27 119.26 122.90 3ihg h ALA 366 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ihg h ALA 366 Cb 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ihg h ALA 366 CO 0.00 0.14 -0.07 -0.07 0.00 0.00 0.00 179.25 179.26 3ihg h LEU 367 N 0.67 -0.17 -2.08 0.00 3.38 -1.21 0.24 115.31 116.14 3ihg h LEU 367 Ca 0.18 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.24 3ihg h LEU 367 Cb 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ihg h LEU 367 CO -0.03 -0.11 0.21 0.00 0.09 0.00 0.00 178.44 178.60 3ihg h ALA 368 N 0.71 2.12 0.08 1.53 0.00 -0.38 -0.18 119.26 123.16 3ihg h ALA 368 Ca -0.01 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 3ihg h ALA 368 Cb 0.15 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ihg h ALA 368 CO 0.01 -0.35 -1.14 0.82 0.00 0.00 0.00 179.25 178.59 3ihg h ILE 369 N 0.00 1.38 -0.96 0.00 2.04 0.02 -2.52 117.51 117.48 3ihg h ILE 369 Ca 0.13 -2.62 -0.00 0.00 1.00 0.00 0.00 64.86 63.36 3ihg h ILE 369 Cb 0.55 2.67 -0.05 0.00 -0.74 0.00 0.00 36.82 39.25 3ihg h ILE 369 CO -0.00 0.78 0.58 0.22 0.00 0.00 0.00 178.15 179.74 3ihg h TYR 370 N 0.20 1.25 0.02 1.37 3.20 0.12 0.12 116.97 123.26 3ihg h TYR 370 Ca -0.14 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 3ihg h TYR 370 Cb 1.81 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.67 3ihg h TYR 370 CO 0.08 0.82 -0.01 0.00 -1.64 0.00 0.00 178.16 177.42 3ihg h ALA 371 N 1.32 -0.02 0.00 1.82 0.00 -1.33 0.26 119.26 121.31 3ihg h ALA 371 Ca 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ihg h ALA 371 Cb -0.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ihg h ALA 371 CO -0.07 -0.30 -0.01 1.96 0.00 0.00 0.00 179.25 180.84 3ihg h GLN 372 N -0.46 0.00 0.00 0.00 1.08 -0.97 0.11 115.11 114.87 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 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3ihg h GLN 372 CO 0.00 0.01 -0.74 0.54 -0.95 0.00 0.00 178.83 177.69 3ihg n ARG 373 N -3.10 2.02 0.00 1.46 1.74 -0.02 -4.81 116.66 113.95 3ihg n ARG 373 Ca 0.01 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ihg n ARG 373 Cb 0.31 -0.87 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 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 -1.37 0.88 -3.21 5.56 2.81 0.41 -4.87 117.12 117.33 3ihg n MET 374 Ca -0.00 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.66 3ihg n MET 374 Cb 0.02 -0.61 -0.07 0.00 -0.71 0.00 0.00 33.22 31.85 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 -0.84 2.04 0.33 3.04 0.00 0.63 -4.98 120.51 120.73 3ihg n ALA 375 Ca 0.00 -2.99 0.19 0.00 0.00 0.00 0.00 53.44 50.63 3ihg n ALA 375 Cb 0.11 -0.87 1.01 0.00 0.00 0.00 0.00 19.45 19.70 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 4.67 0.00 0.00 0.00 0.11 -1.04 -0.28 132.00 135.46 3ihg h PRO 376 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 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 0.39 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.79 3ihg n HIS 377 N -2.96 0.00 0.68 0.65 1.44 -1.26 -3.29 115.22 110.48 3ihg n HIS 377 Ca -0.02 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.76 3ihg n HIS 377 Cb 0.22 -0.17 -0.02 0.00 0.12 0.00 0.00 29.99 30.14 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 -1.17 1.88 -0.32 -1.40 2.81 -0.12 -4.70 117.12 114.11 3ihg n MET 378 Ca 0.18 -0.56 0.35 0.00 -1.81 0.00 0.00 57.70 55.86 3ihg n MET 378 Cb 0.19 -1.23 0.62 0.00 -0.71 0.00 0.00 33.22 32.09 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 2.47 3.12 -0.15 3.04 0.00 -1.67 0.57 119.26 126.64 3ihg h ALA 379 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ihg h ALA 379 Cb 0.47 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ihg h ALA 379 CO 0.00 -1.75 0.00 -0.85 0.00 0.00 0.00 179.25 176.65 3ihg n GLU 380 N -3.60 2.05 0.07 0.00 0.00 -1.26 -3.72 120.64 114.18 3ihg n GLU 380 Ca 0.27 -1.89 -0.00 0.00 0.00 0.00 0.00 57.16 55.54 3ihg n GLU 380 Cb 1.50 -1.42 0.29 0.00 0.00 0.00 0.00 31.44 31.82 3ihg n GLU 380 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3ihg h VAL 381 N 4.01 1.23 -3.31 3.84 2.07 -0.18 -3.45 116.25 120.46 3ihg h VAL 381 Ca 0.00 -1.04 -0.54 0.00 0.82 0.00 0.00 66.70 65.94 3ihg h VAL 381 Cb 0.88 1.28 -0.18 0.00 -1.52 0.00 0.00 31.29 31.75 3ihg h VAL 381 CO 0.00 0.33 -0.79 0.26 0.02 0.00 0.00 177.57 177.39 3ihg s TRP 382 N -4.61 1.88 0.50 1.57 0.51 -1.24 -5.11 118.94 112.44 3ihg s TRP 382 Ca -0.06 -0.45 -0.20 0.00 -2.12 0.00 0.00 56.10 53.27 3ihg s TRP 382 Cb 0.15 -0.94 -0.10 0.00 -0.81 0.00 0.00 33.47 31.76 3ihg s TRP 382 CO 0.76 0.35 0.59 -0.25 -0.51 0.00 0.00 176.95 177.89 3ihg n ASP 383 N 0.33 -0.69 -4.76 2.95 10.43 -1.26 -4.90 116.55 118.65 3ihg n ASP 383 Ca -0.13 0.83 -0.34 0.00 2.57 0.00 0.00 54.79 57.72 3ihg n ASP 383 Cb 0.57 -1.18 0.05 0.00 1.84 0.00 0.00 41.12 42.40 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 -1.91 2.69 0.42 -1.24 2.20 -1.26 -4.63 119.74 116.01 3ihg s LYS 384 Ca 0.66 1.50 -0.24 0.00 -0.36 0.00 0.00 55.97 57.53 3ihg s LYS 384 Cb -0.51 -1.93 -0.10 0.00 -1.51 0.00 0.00 37.83 33.78 3ihg s LYS 384 CO 0.56 -1.36 1.07 0.45 -0.36 0.00 0.00 175.35 175.71 3ihg n SER 385 N -2.38 1.53 0.00 1.43 2.88 -1.26 -4.91 113.62 110.91 3ihg n SER 385 Ca 0.11 1.05 0.11 0.00 -1.33 0.00 0.00 58.87 58.81 3ihg n SER 385 Cb 0.51 -1.38 0.02 0.00 -0.75 0.00 0.00 64.21 62.61 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 -0.44 0.03 0.00 2.46 0.31 -1.26 -5.02 118.33 114.41 3ihg n VAL 386 Ca 0.09 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3ihg n VAL 386 Cb 0.39 0.58 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 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 1.47 3.09 0.18 2.92 0.00 -1.26 -4.77 105.19 106.82 3ihg n GLY 387 Ca 0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 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 0.01 -0.01 1.61 5.03 -1.99 -0.06 116.97 121.57 3ihg h TYR 388 Ca 0.00 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.20 3ihg h TYR 388 Cb 0.00 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 3ihg h TYR 388 CO 0.00 -0.07 -0.67 -1.35 -1.32 0.00 0.00 178.16 174.75 3ihg h PRO 389 N 0.13 0.03 0.00 1.82 0.11 -1.98 -0.77 132.00 131.35 3ihg h PRO 389 Ca 0.22 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 3ihg h PRO 389 Cb 0.31 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3ihg h PRO 389 CO -0.34 0.69 -0.23 1.05 -0.21 0.00 0.00 178.00 178.96 3ihg h GLU 390 N 0.02 0.00 0.04 1.05 9.09 -1.69 0.40 114.58 123.49 3ihg h GLU 390 Ca -0.01 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.16 3ihg h GLU 390 Cb 1.19 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.30 3ihg h GLU 390 CO 0.09 0.23 -1.03 1.15 0.05 0.00 0.00 179.01 179.50 3ihg h THR 391 N 0.00 1.40 0.01 -1.06 2.02 -0.42 -0.36 112.91 114.50 3ihg h THR 391 Ca -0.00 -2.54 -0.34 0.00 0.77 0.00 0.00 66.41 64.30 3ihg h THR 391 Cb 0.55 2.54 -0.06 0.00 -1.74 0.00 0.00 68.15 69.43 3ihg h THR 391 CO 0.03 0.76 -2.10 0.18 0.37 0.00 0.00 175.52 174.75 3ihg n LEU 392 N -3.72 0.64 0.00 2.58 4.77 -0.35 -4.47 117.00 116.45 3ihg n LEU 392 Ca -0.08 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3ihg n LEU 392 Cb 0.89 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 3ihg n LEU 392 CO 0.53 0.50 -0.47 0.18 -1.33 0.00 0.00 177.39 176.80 3ihg n LEU 393 N -2.93 0.00 -1.29 2.23 4.77 0.12 -4.71 117.00 115.20 3ihg n LEU 393 Ca -0.27 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.81 3ihg n LEU 393 Cb 1.10 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 42.49 3ihg n LEU 393 CO 0.43 0.00 0.76 0.61 -1.33 0.00 0.00 177.39 177.85 3ihg n GLY 394 N 2.67 2.19 3.76 -0.72 0.00 -0.22 -4.63 105.19 108.24 3ihg n GLY 394 Ca 0.00 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.32 2.54 -0.05 1.61 -0.12 -0.18 -0.89 117.98 119.59 3ihg s PHE 395 Ca 0.45 1.37 0.06 0.00 -0.05 0.00 0.00 56.93 58.76 3ihg s PHE 395 Cb 0.25 -3.76 -0.01 0.00 -0.63 0.00 0.00 43.02 38.87 3ihg s PHE 395 CO 0.28 -2.55 -0.25 0.50 -0.05 0.00 0.00 175.22 173.16 3ihg s ARG 396 N -2.57 2.44 0.14 1.99 3.52 0.02 -4.44 118.95 120.06 3ihg s ARG 396 Ca 0.63 -0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 55.21 3ihg s ARG 396 Cb -0.39 -2.15 -0.07 0.00 -1.56 0.00 0.00 34.95 30.78 3ihg s ARG 396 CO 0.49 0.44 0.51 0.71 -0.81 0.00 0.00 175.30 176.64 3ihg s TYR 397 N -0.30 3.57 -0.03 5.12 2.02 -0.51 -4.86 117.35 122.36 3ihg s TYR 397 Ca 0.01 0.95 0.03 0.00 -0.37 0.00 0.00 57.07 57.69 3ihg s TYR 397 Cb -0.13 -2.29 -0.00 0.00 -0.40 0.00 0.00 41.96 39.14 3ihg s TYR 397 CO 0.02 0.43 -0.13 1.03 -1.57 0.00 0.00 175.55 175.34 3ihg s ARG 398 N -2.09 1.25 0.01 -0.62 1.81 -1.26 -4.38 118.95 113.66 3ihg s ARG 398 Ca 0.38 -0.44 -0.10 0.00 -1.72 0.00 0.00 55.73 53.85 3ihg s ARG 398 Cb -0.14 -1.14 0.03 0.00 -0.45 0.00 0.00 34.95 33.26 3ihg s ARG 398 CO 0.19 0.19 0.46 -1.13 -0.68 0.00 0.00 175.30 174.34 3ihg n SER 399 N 3.13 -0.52 0.00 0.23 3.41 -1.26 -4.30 113.62 114.31 3ihg n SER 399 Ca -0.17 -1.16 0.05 0.00 -0.26 0.00 0.00 58.87 57.32 3ihg n SER 399 Cb 0.54 0.81 0.27 0.00 -0.26 0.00 0.00 64.21 65.58 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 -0.60 0.00 -0.67 4.04 3.41 -1.26 -1.86 113.62 116.68 3ihg n SER 400 Ca 0.01 0.05 0.06 0.00 -0.26 0.00 0.00 58.87 58.73 3ihg n SER 400 Cb 0.22 -0.23 0.17 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.23 2.39 -3.82 7.33 0.00 -1.26 -4.18 120.51 119.74 3ihg n ALA 401 Ca 0.05 -1.47 -0.26 0.00 0.00 0.00 0.00 53.44 51.77 3ihg n ALA 401 Cb 0.07 -0.49 -0.17 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.52 0.68 -1.16 0.00 1.01 -0.78 -4.69 120.40 113.95 3ihg s VAL 402 Ca 0.27 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 3ihg s VAL 402 Cb 0.18 -0.87 0.23 0.00 0.00 0.00 0.00 36.38 35.91 3ihg s VAL 402 CO 0.13 0.18 1.27 0.18 0.00 0.00 0.00 175.10 176.86 3ihg n LEU 403 N 5.03 5.40 -4.83 3.92 4.77 0.16 -4.44 117.00 127.01 3ihg n LEU 403 Ca -0.09 -4.78 -0.38 0.00 -0.03 0.00 0.00 56.01 50.73 3ihg n LEU 403 Cb 0.49 -1.54 -0.06 0.00 -2.33 0.00 0.00 43.42 39.98 3ihg n LEU 403 CO 0.13 1.07 0.13 0.00 -1.33 0.00 0.00 177.39 177.39 3ihg s ALA 404 N -0.00 3.68 -0.15 -1.18 0.00 -1.26 -4.62 121.76 118.22 3ihg s ALA 404 Ca 0.36 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.95 3ihg s ALA 404 Cb -0.07 -2.43 -0.24 0.00 0.00 0.00 0.00 23.12 20.39 3ihg s ALA 404 CO -0.04 0.46 0.43 1.15 0.00 0.00 0.00 175.76 177.76 3ihg h THR 405 N 3.71 1.04 -3.97 0.00 2.02 -1.96 -3.48 112.91 110.29 3ihg h THR 405 Ca -0.51 -2.30 -0.44 0.00 0.77 0.00 0.00 66.41 63.92 3ihg h THR 405 Cb 1.22 2.59 0.16 0.00 -1.74 0.00 0.00 68.15 70.38 3ihg h THR 405 CO 0.62 0.56 0.30 1.51 0.37 0.00 0.00 175.52 178.88 3ihg s ASP 406 N -6.86 2.66 -0.42 4.18 -4.77 -1.26 -5.04 116.67 105.15 3ihg s ASP 406 Ca -0.23 0.60 0.05 0.00 -3.30 0.00 0.00 52.55 49.67 3ihg s ASP 406 Cb 0.04 -0.88 0.18 0.00 -1.09 0.00 0.00 42.92 41.18 3ihg s ASP 406 CO 0.69 -3.05 0.42 -0.67 0.70 0.00 0.00 175.17 173.26 3ihg n ASP 407 N -4.04 -0.77 -4.73 2.11 2.03 -1.26 -5.09 116.55 104.80 3ihg n ASP 407 Ca 0.12 -2.49 -0.39 0.00 0.52 0.00 0.00 54.79 52.55 3ihg n ASP 407 Cb 0.59 -0.27 -0.05 0.00 -0.72 0.00 0.00 41.12 40.67 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 -0.06 6.92 0.00 1.67 3.68 -1.26 -4.99 116.67 122.64 3ihg s ASP 408 Ca 0.33 1.10 0.29 0.00 2.13 0.00 0.00 52.55 56.40 3ihg s ASP 408 Cb 0.06 -2.37 1.34 0.00 -1.45 0.00 0.00 42.92 40.50 3ihg s ASP 408 CO -0.17 -0.02 1.97 -0.81 0.13 0.00 0.00 175.17 176.27 3ihg n PRO 409 N 3.41 0.24 -1.59 4.34 -0.04 -1.26 -4.88 135.00 135.21 3ihg n PRO 409 Ca -0.04 -0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 3ihg n PRO 409 Cb 0.51 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.37 -0.07 0.40 0.55 0.00 -1.26 -4.92 120.51 113.85 3ihg n ALA 410 Ca 0.11 0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.90 3ihg n ALA 410 Cb 0.29 -2.04 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 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 0.49 3.15 -4.08 0.00 1.74 -1.26 -4.92 116.66 111.78 3ihg n ARG 411 Ca 0.09 -0.29 -0.08 0.00 -0.77 0.00 0.00 57.85 56.81 3ihg n ARG 411 Cb 0.35 -0.98 -0.10 0.00 -1.02 0.00 0.00 32.46 30.72 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 -1.54 0.18 0.19 1.55 -7.23 -1.26 -0.80 120.40 111.49 3ihg s VAL 412 Ca 0.05 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 3ihg s VAL 412 Cb 0.07 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 3ihg s VAL 412 CO 0.29 -0.81 -0.01 -1.83 -0.31 0.00 0.00 175.10 172.43 3ihg s GLU 413 N -3.95 1.18 -0.15 4.82 -1.05 -0.06 -4.94 118.70 114.54 3ihg s GLU 413 Ca 0.12 -1.58 -0.29 0.00 -0.15 0.00 0.00 54.97 53.07 3ihg s GLU 413 Cb 0.07 -0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 33.30 3ihg s GLU 413 CO -0.07 -0.10 2.01 1.21 0.95 0.00 0.00 175.26 179.26 3ihg s ASN 414 N -3.22 5.94 0.45 0.83 3.04 -1.26 -4.37 114.94 116.35 3ihg s ASN 414 Ca 0.25 2.03 0.31 0.00 0.04 0.00 0.00 52.86 55.49 3ihg s ASN 414 Cb 0.06 -2.52 1.49 0.00 -1.54 0.00 0.00 41.25 38.74 3ihg s ASN 414 CO 0.05 -1.55 1.93 1.55 -3.04 0.00 0.00 177.10 176.04 3ihg h PRO 415 N 12.84 0.00 0.00 0.43 0.13 -1.88 -2.38 132.00 141.13 3ihg h PRO 415 Ca -0.42 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.56 3ihg h PRO 415 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 3ihg h PRO 415 CO 0.97 0.00 -0.71 -0.07 -0.23 0.00 0.00 178.00 177.96 3ihg h LEU 416 N 0.00 0.00 -6.75 1.56 3.38 -1.94 -3.32 115.31 108.25 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 0.22 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.55 3ihg h LEU 416 CO 0.00 0.71 -0.59 0.35 0.09 0.00 0.00 178.44 178.99 3ihg n THR 417 N -3.52 1.79 -1.50 0.22 -2.24 -0.90 -4.96 114.28 103.17 3ihg n THR 417 Ca -0.00 -4.95 -0.31 0.00 -2.27 0.00 0.00 64.05 56.52 3ihg n THR 417 Cb 0.73 -2.14 0.06 0.00 -2.10 0.00 0.00 70.33 66.88 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 -1.78 2.74 0.03 -0.78 0.04 -1.23 -4.61 135.00 129.41 3ihg s PRO 418 Ca 0.30 1.05 0.22 0.00 0.04 0.00 0.00 61.00 62.62 3ihg s PRO 418 Cb 0.03 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 3ihg s PRO 418 CO -0.12 -1.26 0.87 -1.13 0.04 0.00 0.00 177.00 175.41 3ihg n SER 419 N -3.17 0.54 0.00 6.66 3.41 -1.26 -4.98 113.62 114.82 3ihg n SER 419 Ca 0.08 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3ihg n SER 419 Cb 0.53 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 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 1.35 0.13 3.75 5.00 0.00 -1.13 -4.56 105.19 109.73 3ihg n GLY 420 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.32 3.23 0.20 1.61 1.81 -1.26 -4.85 118.95 118.37 3ihg s ARG 421 Ca 0.00 2.16 -0.30 0.00 -1.72 0.00 0.00 55.73 55.87 3ihg s ARG 421 Cb 0.00 -2.28 -0.16 0.00 -0.45 0.00 0.00 34.95 32.06 3ihg s ARG 421 CO 0.00 -1.09 0.83 -2.30 -0.68 0.00 0.00 175.30 172.06 3ihg n PRO 422 N -0.95 0.57 0.00 3.54 -0.02 -1.26 -2.62 135.00 134.26 3ihg n PRO 422 Ca 0.10 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3ihg n PRO 422 Cb 0.45 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 1.75 3.14 3.79 -1.23 0.00 0.12 -4.85 105.19 107.91 3ihg n GLY 423 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.82 3.05 0.26 1.61 0.08 -1.08 -1.43 117.98 117.66 3ihg s PHE 424 Ca 0.00 -0.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.64 3ihg s PHE 424 Cb 0.00 -1.40 -0.13 0.00 -0.57 0.00 0.00 43.02 40.92 3ihg s PHE 424 CO 0.00 0.53 1.34 0.54 -0.10 0.00 0.00 175.22 177.54 3ihg n ARG 425 N -0.92 1.96 -1.59 0.44 1.74 -1.26 -1.89 116.66 115.14 3ihg n ARG 425 Ca -0.08 0.69 -0.51 0.00 -0.77 0.00 0.00 57.85 57.19 3ihg n ARG 425 Cb 0.57 -2.31 -0.05 0.00 -1.02 0.00 0.00 32.46 29.65 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 1.81 0.38 3.66 -0.13 0.00 -0.34 -4.80 105.19 105.77 3ihg n GLY 426 Ca 0.10 0.65 -0.38 0.00 0.00 0.00 0.00 46.02 46.39 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 2.33 1.10 -2.44 1.61 -0.02 -1.26 -4.86 135.00 131.45 3ihg n PRO 427 Ca 0.17 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 3ihg n PRO 427 Cb 0.21 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 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 -1.43 2.79 -0.01 6.00 5.65 -1.26 -4.46 115.29 122.56 3ihg s HIS 428 Ca 0.76 0.96 0.00 0.00 0.25 0.00 0.00 55.06 57.03 3ihg s HIS 428 Cb -0.41 -3.73 0.01 0.00 -1.18 0.00 0.00 32.58 27.27 3ihg s HIS 428 CO 0.46 -1.63 0.00 0.08 -0.65 0.00 0.00 174.74 173.01 3ihg s VAL 429 N 3.99 0.05 0.04 0.89 1.01 -1.26 -4.89 120.40 120.22 3ihg s VAL 429 Ca 0.55 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 3ihg s VAL 429 Cb -0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3ihg s VAL 429 CO 0.19 0.05 0.98 -0.76 0.00 0.00 0.00 175.10 175.56 3ihg s LEU 430 N 0.40 4.42 0.00 3.92 1.43 -1.26 -0.62 118.68 126.96 3ihg s LEU 430 Ca -0.03 1.72 -0.06 0.00 -1.03 0.00 0.00 54.13 54.73 3ihg s LEU 430 Cb -0.05 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.61 3ihg s LEU 430 CO -0.01 -0.20 0.54 1.33 0.23 0.00 0.00 176.35 178.24 3ihg n VAL 431 N 3.50 0.00 -3.74 -1.59 0.24 -0.55 -4.80 118.33 111.39 3ihg n VAL 431 Ca 0.05 -1.32 -0.13 0.00 -2.04 0.00 0.00 64.34 60.89 3ihg n VAL 431 Cb 0.50 0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 33.72 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 -2.90 -0.31 -0.67 -1.34 1.04 -1.10 -0.88 113.70 107.54 3ihg s SER 432 Ca 0.22 0.42 -0.16 0.00 0.48 0.00 0.00 55.95 56.91 3ihg s SER 432 Cb -0.02 0.53 0.16 0.00 0.10 0.00 0.00 66.02 66.78 3ihg s SER 432 CO 0.16 -0.32 0.66 -0.13 0.98 0.00 0.00 173.24 174.59 3ihg s ARG 433 N -0.65 3.25 -1.05 4.02 0.52 0.12 -1.45 118.95 123.71 3ihg s ARG 433 Ca -0.07 -1.92 0.00 0.00 -0.52 0.00 0.00 55.73 53.21 3ihg s ARG 433 Cb -0.04 -4.38 0.00 0.00 0.52 0.00 0.00 34.95 31.06 3ihg s ARG 433 CO 0.03 -1.38 0.00 0.72 0.02 0.00 0.00 175.30 174.69 3ihg n HIS 434 N 5.04 0.00 0.00 -0.53 8.25 -1.26 -1.60 115.22 125.12 3ihg n HIS 434 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3ihg n HIS 434 Cb 0.43 -2.69 0.00 0.00 1.12 0.00 0.00 29.99 28.85 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 0.31 1.36 3.61 -1.41 0.00 -1.26 -5.09 105.19 102.71 3ihg n GLY 435 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 3.93 -0.13 1.61 2.12 -0.63 -5.00 118.70 120.60 3ihg s GLU 436 Ca 0.00 0.56 -0.24 0.00 0.36 0.00 0.00 54.97 55.65 3ihg s GLU 436 Cb 0.00 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 3ihg s GLU 436 CO 0.00 -0.72 0.78 1.03 -0.54 0.00 0.00 175.26 175.81 3ihg s ARG 437 N 3.01 4.35 0.16 4.30 1.81 -1.26 0.14 118.95 131.46 3ihg s ARG 437 Ca 0.33 0.95 -0.07 0.00 -1.72 0.00 0.00 55.73 55.22 3ihg s ARG 437 Cb -0.14 -3.53 -0.02 0.00 -0.45 0.00 0.00 34.95 30.82 3ihg s ARG 437 CO 0.13 -0.17 0.23 -0.51 -0.68 0.00 0.00 175.30 174.30 3ihg s LEU 438 N 1.61 1.13 0.15 2.53 1.43 -0.06 -4.98 118.68 120.50 3ihg s LEU 438 Ca 0.38 -0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 52.27 3ihg s LEU 438 Cb -0.17 0.96 -0.08 0.00 0.03 0.00 0.00 46.19 46.94 3ihg s LEU 438 CO 0.15 -0.86 0.72 -0.55 0.23 0.00 0.00 176.35 176.03 3ihg s SER 439 N -3.00 7.26 0.64 2.29 0.15 -1.26 -1.49 113.70 118.29 3ihg s SER 439 Ca 0.20 1.52 0.22 0.00 0.70 0.00 0.00 55.95 58.59 3ihg s SER 439 Cb 0.04 -2.45 1.07 0.00 -1.71 0.00 0.00 66.02 62.97 3ihg s SER 439 CO 0.01 0.20 1.58 0.71 1.20 0.00 0.00 173.24 176.94 3ihg h THR 440 N 3.28 0.09 0.04 6.45 1.35 -1.13 0.24 112.91 123.22 3ihg h THR 440 Ca -0.48 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.16 3ihg h THR 440 Cb 1.21 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 3ihg h THR 440 CO 0.65 0.00 -1.02 0.58 -0.25 0.00 0.00 175.52 175.48 3ihg h VAL 441 N 0.00 1.54 0.00 6.82 2.07 -1.83 -2.90 116.25 121.94 3ihg h VAL 441 Ca 0.14 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.74 3ihg h VAL 441 Cb 1.52 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 3ihg h VAL 441 CO -0.00 0.85 0.00 0.47 0.02 0.00 0.00 177.57 178.91 3ihg n ASP 442 N -3.56 0.00 0.08 0.57 8.00 0.82 -2.63 116.55 119.83 3ihg n ASP 442 Ca -0.05 -0.35 0.13 0.00 0.71 0.00 0.00 54.79 55.23 3ihg n ASP 442 Cb 0.90 -0.14 0.35 0.00 -0.02 0.00 0.00 41.12 42.21 3ihg n ASP 442 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ihg n LEU 443 N -1.14 0.70 -4.89 0.64 4.77 -1.10 -4.96 117.00 111.02 3ihg n LEU 443 Ca 0.13 0.44 -0.31 0.00 -0.03 0.00 0.00 56.01 56.24 3ihg n LEU 443 Cb 0.12 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 3ihg n LEU 443 CO 0.14 -0.11 0.09 -0.36 -1.33 0.00 0.00 177.39 175.81 3ihg s PHE 444 N -3.11 3.46 0.00 -1.77 2.99 -1.08 -4.66 117.98 113.81 3ihg s PHE 444 Ca 0.10 0.64 0.00 0.00 0.00 0.00 0.00 56.93 57.66 3ihg s PHE 444 Cb 0.13 -2.07 0.00 0.00 0.00 0.00 0.00 43.02 41.08 3ihg s PHE 444 CO 0.63 0.38 0.00 0.41 -0.00 0.00 0.00 175.22 176.64 3ihg n GLY 445 N -0.04 2.00 0.00 4.36 0.00 -1.26 -4.89 105.19 105.36 3ihg n GLY 445 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 2.03 -1.26 -4.95 116.55 113.98 3ihg n ASP 446 Ca 0.00 0.79 0.00 0.00 0.52 0.00 0.00 54.79 56.10 3ihg n ASP 446 Cb 0.00 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 3ihg n ASP 446 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ihg n GLY 447 N -0.06 2.69 3.90 0.27 0.00 -1.26 -5.02 105.19 105.72 3ihg n GLY 447 Ca 0.00 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 2.68 3.56 0.06 1.61 0.52 0.06 -3.58 118.94 123.84 3ihg s TRP 448 Ca 0.00 0.38 0.08 0.00 0.02 0.00 0.00 56.10 56.58 3ihg s TRP 448 Cb 0.00 -1.84 -0.03 0.00 -1.15 0.00 0.00 33.47 30.44 3ihg s TRP 448 CO 0.00 0.66 -0.20 0.99 0.02 0.00 0.00 176.95 178.42 3ihg s THR 449 N -1.29 2.68 -0.12 2.01 2.01 -0.30 -1.35 115.64 119.28 3ihg s THR 449 Ca 0.26 -1.30 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 3ihg s THR 449 Cb -0.13 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.28 3ihg s THR 449 CO 0.17 0.29 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.14 3ihg s LEU 450 N -1.56 1.05 -0.21 4.42 0.20 0.45 -0.16 118.68 122.86 3ihg s LEU 450 Ca 0.15 -0.36 -0.13 0.00 0.69 0.00 0.00 54.13 54.47 3ihg s LEU 450 Cb -0.10 -0.67 -0.05 0.00 -0.43 0.00 0.00 46.19 44.94 3ihg s LEU 450 CO 0.06 -0.19 0.26 -0.76 -0.29 0.00 0.00 176.35 175.43 3ihg s LEU 451 N 1.81 4.16 0.12 -0.68 1.43 -0.20 -0.97 118.68 124.35 3ihg s LEU 451 Ca 0.03 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.52 3ihg s LEU 451 Cb -0.14 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 3ihg s LEU 451 CO -0.07 0.03 0.01 0.00 0.23 0.00 0.00 176.35 176.55 3ihg s ALA 452 N 0.99 3.27 0.88 4.21 0.00 0.69 -0.64 121.76 131.17 3ihg s ALA 452 Ca 0.13 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 3ihg s ALA 452 Cb -0.14 -1.14 0.12 0.00 0.00 0.00 0.00 23.12 21.96 3ihg s ALA 452 CO 0.05 0.63 1.09 0.20 0.00 0.00 0.00 175.76 177.73 3ihg s GLY 453 N -2.53 1.63 0.21 0.00 0.00 0.27 -2.72 107.32 104.17 3ihg s GLY 453 Ca 0.26 0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.97 3ihg s GLY 453 CO 0.19 0.52 1.17 -2.21 0.00 0.00 0.00 173.10 172.76 3ihg n GLU 454 N -3.86 -0.08 0.00 2.90 2.13 -0.99 -0.21 120.64 120.52 3ihg n GLU 454 Ca 0.08 1.17 0.13 0.00 0.66 0.00 0.00 57.16 59.20 3ihg n GLU 454 Cb 0.54 -1.75 0.43 0.00 0.27 0.00 0.00 31.44 30.93 3ihg n GLU 454 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3ihg n LEU 455 N -5.21 0.62 -2.31 4.31 4.77 0.63 -4.56 117.00 115.24 3ihg n LEU 455 Ca 0.11 -0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.86 3ihg n LEU 455 Cb 0.37 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 3ihg n LEU 455 CO -0.09 0.13 1.83 0.61 -1.33 0.00 0.00 177.39 178.53 3ihg n GLY 456 N 1.39 3.54 0.21 -0.72 0.00 0.70 -4.40 105.19 105.91 3ihg n GLY 456 Ca 0.10 -1.44 -0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 3.27 1.26 -0.81 4.61 0.00 -1.80 -2.96 119.26 122.84 3ihg h ALA 457 Ca 0.33 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ihg h ALA 457 Cb 1.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3ihg h ALA 457 CO 0.60 0.50 0.53 0.38 0.00 0.00 0.00 179.25 181.26 3ihg h ASP 458 N 0.19 0.84 0.12 0.00 2.03 -1.98 -1.23 116.42 116.40 3ihg h ASP 458 Ca 0.03 -0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.24 3ihg h ASP 458 Cb 0.66 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.96 3ihg h ASP 458 CO 0.05 0.56 -0.29 -0.50 -1.03 0.00 0.00 179.24 178.03 3ihg h TRP 459 N 0.96 0.30 0.03 4.15 4.06 -1.88 -1.36 115.95 122.22 3ihg h TRP 459 Ca 0.33 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 61.22 3ihg h TRP 459 Cb 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 3ihg h TRP 459 CO -0.00 0.55 -0.02 0.28 -3.56 0.00 0.00 178.44 175.69 3ihg h VAL 460 N 0.24 1.23 -0.51 1.49 2.07 -1.24 -2.23 116.25 117.30 3ihg h VAL 460 Ca 0.03 -0.85 0.15 0.00 0.82 0.00 0.00 66.70 66.85 3ihg h VAL 460 Cb 0.65 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3ihg h VAL 460 CO 0.05 0.22 0.36 0.00 0.02 0.00 0.00 177.57 178.22 3ihg h ALA 461 N 0.53 2.48 -0.01 1.67 0.00 -1.02 -2.29 119.26 120.62 3ihg h ALA 461 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3ihg h ALA 461 Cb 0.39 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ihg h ALA 461 CO 0.01 -0.63 -0.82 0.00 0.00 0.00 0.00 179.25 177.82 3ihg h ALA 462 N 1.75 0.61 -0.39 0.00 0.00 -0.85 -2.80 119.26 117.58 3ihg h ALA 462 Ca 0.24 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3ihg h ALA 462 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3ihg h ALA 462 CO -0.00 0.91 0.01 0.00 0.00 0.00 0.00 179.25 180.17 3ihg h ALA 463 N 1.07 1.31 0.23 0.00 0.00 -0.82 0.24 119.26 121.27 3ihg h ALA 463 Ca -0.03 -0.21 -0.33 0.00 0.00 0.00 0.00 54.91 54.34 3ihg h ALA 463 Cb 1.42 -0.17 0.04 0.00 0.00 0.00 0.00 17.79 19.08 3ihg h ALA 463 CO 0.12 0.47 -1.43 0.93 0.00 0.00 0.00 179.25 179.34 3ihg h GLU 464 N 0.58 0.55 -0.79 0.00 4.39 -1.56 -2.31 114.58 115.43 3ihg h GLU 464 Ca 0.12 -0.89 0.00 0.00 0.34 0.00 0.00 59.36 58.93 3ihg h GLU 464 Cb 0.35 0.33 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 3ihg h GLU 464 CO 0.01 1.42 0.50 0.00 -1.16 0.00 0.00 179.01 179.78 3ihg h ALA 465 N 0.20 1.39 0.03 3.43 0.00 -1.18 -2.14 119.26 121.00 3ihg h ALA 465 Ca -0.24 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.34 3ihg h ALA 465 Cb 2.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 3ihg h ALA 465 CO 0.27 0.55 -1.33 0.28 0.00 0.00 0.00 179.25 179.01 3ihg h VAL 466 N 1.08 1.33 0.25 0.00 2.07 -0.61 -1.52 116.25 118.86 3ihg h VAL 466 Ca 0.29 -3.06 -0.01 0.00 0.82 0.00 0.00 66.70 64.73 3ihg h VAL 466 Cb -0.08 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3ihg h VAL 466 CO -0.06 0.80 -0.12 0.28 0.02 0.00 0.00 177.57 178.49 3ihg h SER 467 N 0.02 -0.28 -0.98 0.57 0.02 -1.31 -0.51 113.55 111.08 3ihg h SER 467 Ca -0.15 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 60.82 3ihg h SER 467 Cb 1.91 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 64.46 3ihg h SER 467 CO 0.13 -0.15 0.64 0.00 -1.14 0.00 0.00 176.83 176.31 3ihg h ALA 468 N 0.34 1.40 0.30 3.77 0.00 -1.42 0.43 119.26 124.08 3ihg h ALA 468 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ihg h ALA 468 Cb 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ihg h ALA 468 CO 0.06 0.48 -0.15 0.93 0.00 0.00 0.00 179.25 180.57 3ihg h GLU 469 N 1.19 -0.39 -0.00 0.00 4.39 -0.95 -3.33 114.58 115.49 3ihg h GLU 469 Ca 0.41 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.13 3ihg h GLU 469 Cb 0.09 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3ihg h GLU 469 CO -0.14 -0.19 -0.67 1.28 -1.16 0.00 0.00 179.01 178.13 3ihg n LEU 470 N -5.22 0.97 -1.78 1.33 4.77 -0.23 -4.97 117.00 111.88 3ihg n LEU 470 Ca -0.10 -0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 55.43 3ihg n LEU 470 Cb 0.21 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3ihg n LEU 470 CO 0.34 0.22 0.03 0.61 -1.33 0.00 0.00 177.39 177.26 3ihg n GLY 471 N 1.47 0.07 3.16 -0.72 0.00 0.15 -4.86 105.19 104.47 3ihg n GLY 471 Ca 0.06 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.93 1.68 0.04 1.61 1.01 -1.09 -4.93 120.40 115.80 3ihg s VAL 472 Ca 0.19 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3ihg s VAL 472 Cb -0.08 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 3ihg s VAL 472 CO 0.23 0.48 1.44 -2.16 0.00 0.00 0.00 175.10 175.09 3ihg s PRO 473 N 0.23 4.28 -0.31 2.72 0.04 -1.26 -4.26 135.00 136.44 3ihg s PRO 473 Ca -0.11 2.05 0.01 0.00 0.04 0.00 0.00 61.00 62.99 3ihg s PRO 473 Cb -0.15 -3.50 0.10 0.00 0.04 0.00 0.00 34.50 30.98 3ihg s PRO 473 CO 0.05 -0.57 0.07 0.08 0.04 0.00 0.00 177.00 176.67 3ihg s VAL 474 N 2.15 1.33 -0.03 -0.36 1.01 -1.26 -0.76 120.40 122.47 3ihg s VAL 474 Ca 0.66 -1.63 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 3ihg s VAL 474 Cb -0.34 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3ihg s VAL 474 CO 0.28 -0.59 0.80 -0.60 0.00 0.00 0.00 175.10 174.99 3ihg s ARG 475 N 1.40 4.48 -0.03 2.72 3.52 -0.46 -4.57 118.95 126.02 3ihg s ARG 475 Ca 0.08 1.08 0.04 0.00 -0.13 0.00 0.00 55.73 56.80 3ihg s ARG 475 Cb -0.18 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3ihg s ARG 475 CO -0.18 0.05 -0.13 0.00 -0.81 0.00 0.00 175.30 174.22 3ihg s ALA 476 N 0.79 2.71 -0.04 6.12 0.00 -1.26 -0.41 121.76 129.67 3ihg s ALA 476 Ca 0.42 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3ihg s ALA 476 Cb -0.19 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3ihg s ALA 476 CO 0.22 0.57 -0.07 0.71 0.00 0.00 0.00 175.76 177.18 3ihg s TYR 477 N -0.79 0.91 -0.17 0.00 2.02 -0.14 -4.96 117.35 114.22 3ihg s TYR 477 Ca 0.13 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 3ihg s TYR 477 Cb -0.11 -0.71 0.01 0.00 -0.40 0.00 0.00 41.96 40.75 3ihg s TYR 477 CO 0.02 -0.16 -0.17 0.50 -1.57 0.00 0.00 175.55 174.18 3ihg s ARG 478 N 0.53 3.13 0.27 -0.62 3.52 -1.26 -0.22 118.95 124.30 3ihg s ARG 478 Ca -0.08 -0.78 -0.28 0.00 -0.13 0.00 0.00 55.73 54.46 3ihg s ARG 478 Cb -0.12 -2.62 -0.15 0.00 -1.56 0.00 0.00 34.95 30.50 3ihg s ARG 478 CO 0.01 -0.09 0.90 0.28 -0.81 0.00 0.00 175.30 175.59 3ihg n VAL 479 N 4.34 2.00 -0.47 7.11 0.31 -1.10 -2.03 118.33 128.48 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 0.51 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 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 1.39 1.15 0.00 2.92 0.00 0.80 -4.24 105.19 107.22 3ihg n GLY 480 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.74 0.00 1.36 4.61 0.00 -0.86 -4.90 120.51 121.46 3ihg n ALA 481 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3ihg n ALA 481 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.03 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 4.66 -0.94 3.07 0.00 0.00 -1.00 -4.58 105.19 106.40 3ihg n GLY 482 Ca 0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.51 2.21 -0.12 0.99 2.96 -0.94 -4.35 118.68 116.92 3ihg s LEU 483 Ca 0.27 -0.74 -0.24 0.00 -0.22 0.00 0.00 54.13 53.20 3ihg s LEU 483 Cb 0.20 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 3ihg s LEU 483 CO 0.49 -0.06 0.75 -0.89 -1.32 0.00 0.00 176.35 175.31 3ihg s THR 484 N 1.33 4.98 -0.34 3.68 2.01 -0.53 -0.14 115.64 126.63 3ihg s THR 484 Ca 0.02 1.50 0.02 0.00 0.31 0.00 0.00 61.69 63.54 3ihg s THR 484 Cb -0.14 -4.07 0.09 0.00 0.01 0.00 0.00 72.50 68.39 3ihg s THR 484 CO -0.11 0.15 0.06 -0.62 -0.69 0.00 0.00 174.62 173.41 3ihg s ASP 485 N 0.99 4.84 0.03 3.53 -1.08 -1.26 -2.71 116.67 121.01 3ihg s ASP 485 Ca 0.37 -1.94 -0.21 0.00 -0.52 0.00 0.00 52.55 50.25 3ihg s ASP 485 Cb -0.17 -1.67 -0.16 0.00 -1.46 0.00 0.00 42.92 39.46 3ihg s ASP 485 CO 0.16 -0.38 1.28 -0.65 0.52 0.00 0.00 175.17 176.10 3ihg h PRO 486 N 7.77 0.35 0.00 4.34 0.11 -1.96 -3.19 132.00 139.42 3ihg h PRO 486 Ca -0.10 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3ihg h PRO 486 Cb 1.03 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ihg h PRO 486 CO 0.55 0.80 -0.12 -0.85 -0.21 0.00 0.00 178.00 178.18 3ihg n GLU 487 N -4.51 0.11 -3.24 1.05 0.28 -1.26 -4.98 120.64 108.09 3ihg n GLU 487 Ca -0.07 0.07 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 3ihg n GLU 487 Cb 0.41 -1.61 0.08 0.00 1.43 0.00 0.00 31.44 31.75 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 -1.79 -3.95 0.00 -1.84 7.64 -1.21 -4.98 113.62 107.50 3ihg n SER 488 Ca 0.06 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.33 3ihg n SER 488 Cb 0.38 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.72 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 -3.56 1.70 -0.03 -0.43 0.00 -1.26 -4.72 120.51 112.21 3ihg n ALA 489 Ca -0.18 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 3ihg n ALA 489 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 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 0.72 1.38 -0.66 0.00 2.07 -1.95 -2.78 116.25 115.03 3ihg h VAL 490 Ca 0.00 -1.68 0.14 0.00 0.82 0.00 0.00 66.70 65.98 3ihg h VAL 490 Cb 0.48 2.44 -0.11 0.00 -1.52 0.00 0.00 31.29 32.58 3ihg h VAL 490 CO 0.00 0.41 -0.02 0.28 0.02 0.00 0.00 177.57 178.25 3ihg h SER 491 N -0.83 -0.34 -0.03 0.57 0.02 -1.85 -1.33 113.55 109.76 3ihg h SER 491 Ca -0.00 0.17 -0.21 0.00 -0.84 0.00 0.00 61.79 60.91 3ihg h SER 491 Cb 0.70 0.31 0.01 0.00 0.14 0.00 0.00 62.40 63.56 3ihg h SER 491 CO 0.01 -0.14 -0.79 -0.08 -1.14 0.00 0.00 176.83 174.69 3ihg h GLU 492 N 0.10 0.59 -0.28 3.45 4.81 -1.85 0.34 114.58 121.75 3ihg h GLU 492 Ca 0.34 -0.59 -0.16 0.00 -0.13 0.00 0.00 59.36 58.82 3ihg h GLU 492 Cb 0.57 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3ihg h GLU 492 CO -0.58 1.21 -0.48 0.00 -0.73 0.00 0.00 179.01 178.43 3ihg h ARG 493 N 0.21 0.74 0.00 1.92 2.47 -1.21 -3.10 114.38 115.41 3ihg h ARG 493 Ca -0.09 -0.43 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 3ihg h ARG 493 Cb 1.46 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 3ihg h ARG 493 CO 0.16 1.05 -0.44 1.88 0.56 0.00 0.00 179.97 183.18 3ihg h TYR 494 N 0.59 0.00 -0.42 3.04 -1.99 -1.26 -2.99 116.97 113.94 3ihg h TYR 494 Ca 0.03 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 3ihg h TYR 494 Cb 1.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 3ihg h TYR 494 CO 0.06 0.00 -0.09 0.41 -0.00 0.00 0.00 178.16 178.54 3ihg n GLY 495 N 1.22 0.37 0.50 3.88 0.00 0.98 -4.60 105.19 107.55 3ihg n GLY 495 Ca 0.03 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.61 0.00 -3.01 -0.61 -5.35 0.08 -4.17 119.36 102.69 3ihg n ILE 496 Ca -0.04 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3ihg n ILE 496 Cb 0.39 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 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 1.29 2.21 0.08 3.28 0.00 -1.24 -0.15 105.19 110.66 3ihg n GLY 497 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3ihg n GLY 497 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ihg n LYS 498 N 13.01 0.64 0.00 1.61 5.02 -1.26 -4.51 118.16 132.67 3ihg n LYS 498 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3ihg n LYS 498 Cb 0.00 -1.70 -0.00 0.00 -0.02 0.00 0.00 35.03 33.31 3ihg n LYS 498 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ihg n ALA 499 N -2.44 2.15 -1.12 7.82 0.00 -1.24 -0.27 120.51 125.41 3ihg n ALA 499 Ca -0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.16 3ihg n ALA 499 Cb 0.85 -0.02 0.05 0.00 0.00 0.00 0.00 19.45 20.32 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 0.84 -1.70 3.31 0.00 0.00 0.79 -3.99 105.19 104.44 3ihg n GLY 500 Ca 0.00 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.61 -0.92 -0.06 4.61 0.00 -0.90 -0.56 121.76 120.32 3ihg s ALA 501 Ca 0.15 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.22 3ihg s ALA 501 Cb -0.01 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.63 3ihg s ALA 501 CO 0.11 -0.54 -0.10 0.45 0.00 0.00 0.00 175.76 175.69 3ihg s SER 502 N -2.39 1.47 -0.19 0.00 0.15 0.19 -1.28 113.70 111.65 3ihg s SER 502 Ca -0.01 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.35 3ihg s SER 502 Cb 0.01 -0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 63.62 3ihg s SER 502 CO -0.07 0.01 -0.01 -0.22 1.20 0.00 0.00 173.24 174.15 3ihg s LEU 503 N 0.70 3.21 -0.17 3.45 2.96 0.07 -1.03 118.68 127.88 3ihg s LEU 503 Ca -0.13 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 3ihg s LEU 503 Cb -0.15 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.74 3ihg s LEU 503 CO 0.02 0.08 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.29 3ihg s VAL 504 N 0.93 2.56 1.35 1.68 1.01 0.77 -0.13 120.40 128.56 3ihg s VAL 504 Ca 0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 3ihg s VAL 504 Cb -0.14 -2.09 0.34 0.00 0.00 0.00 0.00 36.38 34.48 3ihg s VAL 504 CO 0.02 0.51 0.90 0.54 0.00 0.00 0.00 175.10 177.06 3ihg n ARG 505 N 4.39 -3.83 0.00 2.72 1.74 0.76 -1.15 116.66 121.29 3ihg n ARG 505 Ca -0.20 -1.12 0.05 0.00 -0.77 0.00 0.00 57.85 55.81 3ihg n ARG 505 Cb 0.51 -2.00 0.23 0.00 -1.02 0.00 0.00 32.46 30.17 3ihg n ARG 505 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3ihg n PRO 506 N -5.31 0.03 -0.05 5.56 -0.02 -1.23 -2.71 135.00 131.25 3ihg n PRO 506 Ca 0.08 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 61.90 3ihg n PRO 506 Cb 0.57 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.62 3ihg n PRO 506 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ihg n ASP 507 N -1.46 2.10 0.00 2.55 5.75 -1.26 -4.11 116.55 120.11 3ihg n ASP 507 Ca 0.03 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 3ihg n ASP 507 Cb 0.11 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 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 0.36 0.72 3.88 6.12 0.00 -1.10 -5.04 105.19 110.13 3ihg n GLY 508 Ca 0.06 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 5.25 -0.24 -0.61 -1.09 -1.26 -1.20 121.20 120.05 3ihg s ILE 509 Ca 0.00 0.20 -0.24 0.00 -2.23 0.00 0.00 60.65 58.38 3ihg s ILE 509 Cb 0.00 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3ihg s ILE 509 CO 0.00 0.33 0.82 -0.69 -1.23 0.00 0.00 174.94 174.16 3ihg s VAL 510 N -1.34 4.85 -0.10 2.92 1.01 -0.79 -0.17 120.40 126.77 3ihg s VAL 510 Ca 0.30 1.55 0.15 0.00 0.00 0.00 0.00 61.98 63.97 3ihg s VAL 510 Cb -0.13 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 3ihg s VAL 510 CO 0.17 -0.06 1.10 0.00 0.00 0.00 0.00 175.10 176.32 3ihg h ALA 511 N 7.66 0.63 -1.32 5.51 0.00 -0.81 0.34 119.26 131.27 3ihg h ALA 511 Ca -0.24 -0.75 0.14 0.00 0.00 0.00 0.00 54.91 54.07 3ihg h ALA 511 Cb 1.10 0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.72 3ihg h ALA 511 CO 0.87 0.89 0.71 -0.46 0.00 0.00 0.00 179.25 181.26 3ihg s TRP 512 N -2.89 -0.23 0.20 0.00 -0.00 -1.21 -0.67 118.94 114.15 3ihg s TRP 512 Ca 0.00 0.49 -0.11 0.00 -0.00 0.00 0.00 56.10 56.49 3ihg s TRP 512 Cb 0.08 0.45 -0.01 0.00 -0.00 0.00 0.00 33.47 34.00 3ihg s TRP 512 CO 0.79 -0.16 0.37 -0.98 -0.00 0.00 0.00 176.95 176.97 3ihg s ARG 513 N -0.46 1.32 0.06 5.86 1.70 -1.26 -0.75 118.95 125.42 3ihg s ARG 513 Ca 0.04 -1.20 -0.06 0.00 -0.47 0.00 0.00 55.73 54.04 3ihg s ARG 513 Cb -0.03 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.76 3ihg s ARG 513 CO -0.07 -0.52 0.11 0.99 -1.08 0.00 0.00 175.30 174.73 3ihg s THR 514 N -3.99 0.15 -0.69 4.99 2.01 -0.40 -4.98 115.64 112.73 3ihg s THR 514 Ca 0.20 -1.26 0.07 0.00 0.31 0.00 0.00 61.69 61.01 3ihg s THR 514 Cb 0.02 -1.18 0.16 0.00 0.01 0.00 0.00 72.50 71.51 3ihg s THR 514 CO 0.04 -0.70 1.06 -0.90 -0.69 0.00 0.00 174.62 173.43 3ihg n ASP 515 N 0.33 2.35 -1.95 3.53 5.68 -1.26 -2.11 116.55 123.12 3ihg n ASP 515 Ca -0.17 -1.82 -0.07 0.00 -0.50 0.00 0.00 54.79 52.23 3ihg n ASP 515 Cb 0.60 -0.11 -0.03 0.00 -1.14 0.00 0.00 41.12 40.44 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 0.23 0.38 -3.67 0.11 0.28 -1.26 -4.11 120.64 112.60 3ihg n GLU 516 Ca 0.07 -1.16 -0.32 0.00 -0.16 0.00 0.00 57.16 55.59 3ihg n GLU 516 Cb 0.32 0.84 -0.05 0.00 1.43 0.00 0.00 31.44 33.98 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 -2.44 3.79 0.48 -1.84 0.00 -1.26 -3.55 121.76 116.95 3ihg s ALA 517 Ca 0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 3ihg s ALA 517 Cb 0.01 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 3ihg s ALA 517 CO 0.08 0.67 0.76 0.00 0.00 0.00 0.00 175.76 177.27 3ihg s ALA 518 N -1.66 3.46 0.26 0.00 0.00 -1.26 -5.00 121.76 117.57 3ihg s ALA 518 Ca 0.41 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 3ihg s ALA 518 Cb -0.12 -2.48 0.34 0.00 0.00 0.00 0.00 23.12 20.86 3ihg s ALA 518 CO 0.24 -0.39 1.82 0.00 0.00 0.00 0.00 175.76 177.44 3ihg h ALA 519 N 0.24 1.18 -2.84 0.00 0.00 -2.04 -3.41 119.26 112.41 3ihg h ALA 519 Ca -0.47 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 53.89 3ihg h ALA 519 Cb 1.22 -0.25 -0.38 0.00 0.00 0.00 0.00 17.79 18.39 3ihg h ALA 519 CO 0.61 0.57 -0.67 0.34 0.00 0.00 0.00 179.25 180.10 3ihg s ASP 520 N -6.51 1.55 0.19 0.00 -1.08 -1.26 -5.03 116.67 104.53 3ihg s ASP 520 Ca -0.11 -0.22 -0.01 0.00 -0.52 0.00 0.00 52.55 51.70 3ihg s ASP 520 Cb 0.16 0.14 0.12 0.00 -1.46 0.00 0.00 42.92 41.88 3ihg s ASP 520 CO 0.81 -0.31 1.49 0.00 0.52 0.00 0.00 175.17 177.67 3ihg h ALA 521 N 8.36 0.69 -0.20 3.66 0.00 -1.90 -2.93 119.26 126.93 3ihg h ALA 521 Ca -0.15 -0.56 -0.21 0.00 0.00 0.00 0.00 54.91 53.99 3ihg h ALA 521 Cb 1.14 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.87 3ihg h ALA 521 CO 0.25 0.73 -0.70 0.00 0.00 0.00 0.00 179.25 179.53 3ihg h ALA 522 N 1.00 0.38 -0.23 0.00 0.00 -1.91 -1.16 119.26 117.35 3ihg h ALA 522 Ca -0.01 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 3ihg h ALA 522 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ihg h ALA 522 CO 0.11 0.69 -0.54 0.37 0.00 0.00 0.00 179.25 179.88 3ihg h GLN 523 N 0.58 0.67 -0.36 0.00 4.15 -1.98 -0.64 115.11 117.53 3ihg h GLN 523 Ca -0.03 -0.42 -0.08 0.00 0.77 0.00 0.00 58.65 58.89 3ihg h GLN 523 Cb 1.31 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 3ihg h GLN 523 CO 0.15 1.04 -0.08 1.15 -1.93 0.00 0.00 178.83 179.16 3ihg h THR 524 N 0.52 1.28 -0.03 2.39 2.02 -1.50 -1.44 112.91 116.14 3ihg h THR 524 Ca 0.01 -1.13 -0.12 0.00 0.77 0.00 0.00 66.41 65.94 3ihg h THR 524 Cb 1.10 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 3ihg h THR 524 CO 0.11 0.37 -0.54 0.25 0.37 0.00 0.00 175.52 176.09 3ihg h LEU 525 N 0.49 0.09 -0.37 2.58 5.85 -1.15 -0.19 115.31 122.61 3ihg h LEU 525 Ca 0.09 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 3ihg h LEU 525 Cb 0.58 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3ihg h LEU 525 CO 0.03 0.61 -0.74 -0.08 -0.34 0.00 0.00 178.44 177.92 3ihg h GLU 526 N 0.07 0.45 -0.46 1.25 4.81 -1.07 -2.08 114.58 117.55 3ihg h GLU 526 Ca -0.00 -0.37 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 3ihg h GLU 526 Cb 0.97 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3ihg h GLU 526 CO 0.07 1.01 -0.03 0.78 -0.73 0.00 0.00 179.01 180.11 3ihg h GLY 527 N 1.20 0.90 0.85 1.92 0.00 -0.80 0.17 103.07 107.30 3ihg h GLY 527 Ca -0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 3ihg h GLY 527 CO 0.13 0.63 0.05 -2.08 0.00 0.00 0.00 176.54 175.27 3ihg h VAL 528 N 0.67 1.19 -0.53 4.60 2.07 -1.06 -2.07 116.25 121.13 3ihg h VAL 528 Ca 0.13 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3ihg h VAL 528 Cb 0.55 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3ihg h VAL 528 CO 0.03 0.19 0.11 -0.07 0.02 0.00 0.00 177.57 177.85 3ihg h LEU 529 N 0.09 0.82 -0.74 2.57 3.38 -1.32 -2.69 115.31 117.42 3ihg h LEU 529 Ca 0.05 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.86 3ihg h LEU 529 Cb 0.25 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3ihg h LEU 529 CO -0.00 0.85 0.40 0.03 0.09 0.00 0.00 178.44 179.81 3ihg h ARG 530 N 0.75 0.67 0.42 1.13 3.08 -0.55 -2.35 114.38 117.53 3ihg h ARG 530 Ca 0.16 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3ihg h ARG 530 Cb 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3ihg h ARG 530 CO 0.01 0.45 -0.20 -0.09 -1.07 0.00 0.00 179.97 179.06 3ihg h ARG 531 N 0.69 -0.54 0.00 0.04 2.43 -1.32 0.68 114.38 116.36 3ihg h ARG 531 Ca 0.35 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3ihg h ARG 531 Cb 0.31 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3ihg h ARG 531 CO -0.24 -0.24 -0.20 -0.39 -1.51 0.00 0.00 179.97 177.39 3ihg h VAL 532 N -0.86 0.64 -0.05 0.20 -1.51 -1.47 -1.97 116.25 111.23 3ihg h VAL 532 Ca -0.06 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 3ihg h VAL 532 Cb 0.56 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3ihg h VAL 532 CO 0.09 0.20 0.00 0.18 -1.23 0.00 0.00 177.57 176.81 3ihg n LEU 533 N -3.57 2.04 -3.69 4.19 4.77 -0.89 -4.59 117.00 115.27 3ihg n LEU 533 Ca -0.01 -0.71 -0.24 0.00 -0.03 0.00 0.00 56.01 55.01 3ihg n LEU 533 Cb 0.35 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3ihg n LEU 533 CO 0.32 0.36 0.13 -0.67 -1.33 0.00 0.00 177.39 176.20 3ihg n ASP 534 N 0.59 -4.38 -0.38 -1.43 4.64 -0.70 -1.02 116.55 113.87 3ihg n ASP 534 Ca 0.17 -0.67 0.05 0.00 -1.38 0.00 0.00 54.79 52.96 3ihg n ASP 534 Cb 0.43 -4.54 0.04 0.00 -1.04 0.00 0.00 41.12 36.01 3ihg n ASP 534 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92