#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4t s ARG 24 N 0.00 2.44 0.02 4.33 3.52 -1.26 -4.98 118.95 123.02 1i4t s ARG 24 Ca 0.00 -0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.40 1i4t s ARG 24 Cb 0.00 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.24 1i4t s ARG 24 CO 0.00 0.41 1.11 0.99 -0.81 0.00 0.00 175.30 177.00 1i4t s THR 25 N -0.24 4.39 -0.09 4.11 2.01 -1.26 -5.03 115.64 119.53 1i4t s THR 25 Ca -0.01 1.72 -0.01 0.00 0.31 0.00 0.00 61.69 63.69 1i4t s THR 25 Cb -0.13 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.31 1i4t s THR 25 CO 0.03 0.11 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.36 1i4t s VAL 26 N 1.21 0.59 -1.06 3.82 1.01 -1.26 -5.04 120.40 119.68 1i4t s VAL 26 Ca 0.56 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 1i4t s VAL 26 Cb -0.25 -0.71 0.26 0.00 0.00 0.00 0.00 36.38 35.68 1i4t s VAL 26 CO 0.27 0.29 1.03 -1.81 0.00 0.00 0.00 175.10 174.88 1i4t s ASP 27 N 1.88 6.98 0.07 3.32 1.01 -1.26 -4.95 116.67 123.73 1i4t s ASP 27 Ca 0.05 -3.65 -0.14 0.00 0.71 0.00 0.00 52.55 49.51 1i4t s ASP 27 Cb -0.12 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 1i4t s ASP 27 CO -0.06 -0.25 1.22 -0.11 0.21 0.00 0.00 175.17 176.18 1i4t n LEU 28 N 2.57 -0.49 -0.18 1.23 7.94 -1.26 -0.60 117.00 126.21 1i4t n LEU 28 Ca 0.23 1.33 -0.02 0.00 -1.11 0.00 0.00 56.01 56.44 1i4t n LEU 28 Cb 0.38 -0.36 0.08 0.00 0.53 0.00 0.00 43.42 44.05 1i4t n LEU 28 CO 0.44 -0.92 0.99 -0.08 -1.11 0.00 0.00 177.39 176.70 1i4t h GLU 29 N 0.00 0.40 -0.50 1.96 4.81 -2.00 -1.41 114.58 117.84 1i4t h GLU 29 Ca 0.07 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1i4t h GLU 29 Cb 0.19 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1i4t h GLU 29 CO -0.43 0.26 0.10 1.25 -0.73 0.00 0.00 179.01 179.46 1i4t h LEU 30 N 0.41 0.77 -1.06 1.64 5.85 -1.86 -2.59 115.31 118.48 1i4t h LEU 30 Ca 0.26 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1i4t h LEU 30 Cb 0.27 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1i4t h LEU 30 CO -0.24 0.82 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.96 1i4t h GLU 31 N 0.69 0.16 -0.57 1.25 5.08 -0.54 -1.07 114.58 119.58 1i4t h GLU 31 Ca 0.15 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1i4t h GLU 31 Cb 0.36 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1i4t h GLU 31 CO 0.01 0.53 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.43 1i4t h LEU 32 N 0.13 1.00 -0.80 1.33 4.07 -1.09 -1.49 115.31 118.48 1i4t h LEU 32 Ca 0.01 -0.30 -0.12 0.00 0.08 0.00 0.00 57.88 57.55 1i4t h LEU 32 Cb 0.75 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1i4t h LEU 32 CO 0.06 1.08 -0.45 1.56 -1.08 0.00 0.00 178.44 179.61 1i4t h GLN 33 N 0.92 0.34 -0.23 1.13 4.20 -1.03 -1.54 115.11 118.90 1i4t h GLN 33 Ca 0.16 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1i4t h GLN 33 Cb 0.60 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1i4t h GLN 33 CO 0.04 0.73 -0.05 0.82 -0.67 0.00 0.00 178.83 179.69 1i4t h ILE 34 N 0.28 1.28 -0.68 2.54 2.04 -0.96 -0.75 117.51 121.25 1i4t h ILE 34 Ca 0.02 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.85 1i4t h ILE 34 Cb 0.91 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 1i4t h ILE 34 CO 0.08 0.32 0.43 -0.33 0.00 0.00 0.00 178.15 178.65 1i4t h GLU 35 N 0.19 0.84 -0.25 2.37 4.39 -1.13 -1.02 114.58 119.97 1i4t h GLU 35 Ca 0.06 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1i4t h GLU 35 Cb 0.51 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1i4t h GLU 35 CO 0.02 0.55 -0.12 1.25 -1.16 0.00 0.00 179.01 179.56 1i4t h LEU 36 N 0.86 0.40 -0.44 1.33 5.85 -1.10 -1.49 115.31 120.72 1i4t h LEU 36 Ca 0.27 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.72 1i4t h LEU 36 Cb -0.02 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1i4t h LEU 36 CO -0.09 0.55 -0.62 0.25 -0.34 0.00 0.00 178.44 178.19 1i4t h LEU 37 N 0.39 0.63 -0.55 2.25 5.85 -0.63 -0.61 115.31 122.63 1i4t h LEU 37 Ca 0.08 -0.36 -0.08 0.00 0.84 0.00 0.00 57.88 58.35 1i4t h LEU 37 Cb 0.45 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1i4t h LEU 37 CO 0.03 1.09 0.02 0.03 -0.34 0.00 0.00 178.44 179.27 1i4t h ARG 38 N 0.41 0.95 -0.56 1.25 3.08 -0.91 -1.27 114.38 117.33 1i4t h ARG 38 Ca -0.01 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 1i4t h ARG 38 Cb 1.19 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1i4t h ARG 38 CO 0.12 0.96 0.12 1.49 -1.07 0.00 0.00 179.97 181.58 1i4t h GLU 39 N 0.83 0.91 -0.57 0.04 4.81 -1.17 -1.33 114.58 118.11 1i4t h GLU 39 Ca 0.16 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1i4t h GLU 39 Cb 0.52 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1i4t h GLU 39 CO 0.03 0.86 0.25 1.15 -0.73 0.00 0.00 179.01 180.56 1i4t h THR 40 N 0.81 1.22 -0.76 0.32 2.02 -0.94 -0.89 112.91 114.69 1i4t h THR 40 Ca 0.17 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1i4t h THR 40 Cb 0.37 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1i4t h THR 40 CO 0.01 0.26 0.27 0.50 0.37 0.00 0.00 175.52 176.92 1i4t h LYS 41 N 0.78 1.15 0.13 6.66 3.64 -1.06 0.23 116.57 128.10 1i4t h LYS 41 Ca 0.19 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1i4t h LYS 41 Cb 0.17 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1i4t h LYS 41 CO -0.02 0.96 -0.13 -0.09 -2.27 0.00 0.00 179.45 177.90 1i4t h ARG 42 N 1.11 -0.28 -0.39 1.90 2.43 -0.85 0.86 114.38 119.15 1i4t h ARG 42 Ca 0.25 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1i4t h ARG 42 Cb 0.26 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1i4t h ARG 42 CO -0.01 -0.19 -0.10 0.87 -1.51 0.00 0.00 179.97 179.03 1i4t h LYS 43 N -0.29 0.69 -0.40 0.20 1.57 -0.75 -2.51 116.57 115.08 1i4t h LYS 43 Ca 0.00 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1i4t h LYS 43 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1i4t h LYS 43 CO -0.04 0.77 -0.06 1.88 -0.57 0.00 0.00 179.45 181.43 1i4t h TYR 44 N 0.63 0.82 -0.22 -1.35 -1.99 -0.31 -1.75 116.97 112.81 1i4t h TYR 44 Ca 0.11 -0.16 0.03 0.00 2.00 0.00 0.00 58.73 60.71 1i4t h TYR 44 Cb 0.54 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 1i4t h TYR 44 CO 0.02 0.85 0.15 0.93 -0.00 0.00 0.00 178.16 180.11 1i4t h GLU 45 N 0.55 0.16 -0.20 4.88 5.08 -0.62 0.45 114.58 124.88 1i4t h GLU 45 Ca 0.10 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1i4t h GLU 45 Cb 0.57 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1i4t h GLU 45 CO 0.03 0.11 -0.33 1.03 -1.00 0.00 0.00 179.01 178.85 1i4t h SER 46 N 0.17 0.64 -0.31 1.42 0.87 -1.00 -1.72 113.55 113.61 1i4t h SER 46 Ca 0.09 -0.53 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 1i4t h SER 46 Cb 0.16 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1i4t h SER 46 CO -0.02 1.05 0.05 0.58 -0.53 0.00 0.00 176.83 177.97 1i4t h VAL 47 N 0.25 1.20 -0.44 2.23 2.07 -0.50 -2.24 116.25 118.81 1i4t h VAL 47 Ca 0.01 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1i4t h VAL 47 Cb 0.92 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1i4t h VAL 47 CO 0.08 0.27 -0.03 0.25 0.02 0.00 0.00 177.57 178.15 1i4t h LEU 48 N 0.59 0.71 -0.32 2.57 5.85 -0.74 -0.12 115.31 123.86 1i4t h LEU 48 Ca 0.13 -0.18 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 1i4t h LEU 48 Cb 0.29 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1i4t h LEU 48 CO 0.00 0.80 -0.43 -0.61 -0.34 0.00 0.00 178.44 177.87 1i4t h GLN 49 N 0.69 0.85 -0.56 1.25 4.15 -0.83 -2.41 115.11 118.25 1i4t h GLN 49 Ca 0.13 -0.49 -0.04 0.00 0.77 0.00 0.00 58.65 59.02 1i4t h GLN 49 Cb 0.47 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1i4t h GLN 49 CO 0.02 1.13 0.20 -0.07 -1.93 0.00 0.00 178.83 178.18 1i4t h LEU 50 N 0.63 0.79 -1.05 -2.39 3.38 -1.16 -1.90 115.31 113.61 1i4t h LEU 50 Ca 0.04 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1i4t h LEU 50 Cb 1.03 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1i4t h LEU 50 CO 0.10 0.76 0.65 1.23 0.09 0.00 0.00 178.44 181.27 1i4t h GLY 51 N 0.77 1.37 0.86 0.83 0.00 -0.93 0.28 103.07 106.25 1i4t h GLY 51 Ca 0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1i4t h GLY 51 CO -0.01 0.50 -0.09 3.21 0.00 0.00 0.00 176.54 180.15 1i4t h ARG 52 N 1.32 -0.23 -0.99 4.80 3.08 -1.07 -0.52 114.38 120.76 1i4t h ARG 52 Ca 0.36 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.52 1i4t h ARG 52 Cb -0.15 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 29.88 1i4t h ARG 52 CO -0.08 -0.04 0.63 0.00 -1.07 0.00 0.00 179.97 179.41 1i4t h ALA 53 N 0.41 1.49 -0.74 0.04 0.00 -0.91 0.48 119.26 120.03 1i4t h ALA 53 Ca -0.02 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1i4t h ALA 53 Cb 0.30 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1i4t h ALA 53 CO 0.04 0.31 0.44 1.25 0.00 0.00 0.00 179.25 181.30 1i4t h LEU 54 N 1.06 0.69 -1.20 0.00 5.85 0.06 -1.26 115.31 120.51 1i4t h LEU 54 Ca 0.46 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.15 1i4t h LEU 54 Cb 0.35 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1i4t h LEU 54 CO -0.21 0.45 0.03 0.74 -0.34 0.00 0.00 178.44 179.11 1i4t h THR 55 N 0.82 1.20 0.40 1.05 2.02 0.70 -1.02 112.91 118.09 1i4t h THR 55 Ca 0.32 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1i4t h THR 55 Cb 0.14 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1i4t h THR 55 CO -0.16 0.27 -0.19 0.00 0.37 0.00 0.00 175.52 175.81 1i4t h ALA 56 N 1.48 -0.54 -0.89 6.16 0.00 -0.42 -2.47 119.26 122.58 1i4t h ALA 56 Ca 0.12 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1i4t h ALA 56 Cb 0.31 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1i4t h ALA 56 CO 0.01 -0.54 0.52 0.45 0.00 0.00 0.00 179.25 179.69 1i4t h HIS 57 N -1.05 0.95 -0.51 0.00 -0.00 -1.29 0.32 115.15 113.58 1i4t h HIS 57 Ca -0.05 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1i4t h HIS 57 Cb 0.51 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1i4t h HIS 57 CO 0.02 0.37 0.25 1.25 -0.00 0.00 0.00 177.93 179.82 1i4t h LEU 58 N 0.85 0.66 -0.95 2.43 5.85 -1.24 -0.44 115.31 122.46 1i4t h LEU 58 Ca 0.44 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 1i4t h LEU 58 Cb 0.43 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1i4t h LEU 58 CO -0.26 0.59 0.37 0.22 -0.34 0.00 0.00 178.44 179.02 1i4t h TYR 59 N 0.67 1.12 -0.38 1.25 3.20 -0.76 0.36 116.97 122.44 1i4t h TYR 59 Ca 0.17 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 1i4t h TYR 59 Cb 0.11 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1i4t h TYR 59 CO -0.01 0.81 -0.21 0.77 -1.64 0.00 0.00 178.16 177.88 1i4t h SER 60 N 1.11 0.85 0.79 -2.11 0.02 -0.57 -2.94 113.55 110.69 1i4t h SER 60 Ca 0.27 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1i4t h SER 60 Cb 0.12 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.43 1i4t h SER 60 CO -0.03 1.08 -0.38 0.25 -1.14 0.00 0.00 176.83 176.60 1i4t h LEU 61 N 0.62 -0.90 -0.98 5.07 5.85 -0.66 -2.78 115.31 121.53 1i4t h LEU 61 Ca 0.08 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.02 1i4t h LEU 61 Cb 0.77 0.23 -0.19 0.00 0.37 0.00 0.00 40.66 41.85 1i4t h LEU 61 CO 0.06 -0.59 -0.23 0.25 -0.34 0.00 0.00 178.44 177.59 1i4t h LEU 62 N -1.16 -0.89 -0.20 2.25 5.85 -0.99 -0.52 115.31 119.66 1i4t h LEU 62 Ca -0.11 0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1i4t h LEU 62 Cb 0.83 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1i4t h LEU 62 CO 0.18 -0.32 0.11 1.56 -0.34 0.00 0.00 178.44 179.63 1i4t h GLN 63 N 0.00 0.28 0.25 1.25 4.20 -1.46 -2.72 115.11 116.91 1i4t h GLN 63 Ca 0.47 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.16 1i4t h GLN 63 Cb 0.73 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 1i4t h GLN 63 CO -1.00 0.25 -0.35 1.15 -0.67 0.00 0.00 178.83 178.21 1i4t h THR 64 N 0.23 0.27 -1.01 -0.54 2.02 -0.84 -0.26 112.91 112.78 1i4t h THR 64 Ca 0.07 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.54 1i4t h THR 64 Cb 0.05 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 1i4t h THR 64 CO -0.01 0.00 0.79 1.56 0.37 0.00 0.00 175.52 178.23 1i4t h GLN 65 N -0.66 0.00 -0.01 6.66 4.20 -1.24 0.72 115.11 124.77 1i4t h GLN 65 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1i4t h GLN 65 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1i4t h GLN 65 CO -0.13 0.00 -0.07 1.25 -0.67 0.00 0.00 178.83 179.21 1i4t h HIS 66 N 0.00 0.10 0.63 2.96 2.76 -0.78 -0.40 115.15 120.42 1i4t h HIS 66 Ca 0.48 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.57 1i4t h HIS 66 Cb 2.05 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 31.00 1i4t h HIS 66 CO 0.00 0.73 -0.30 0.00 -1.30 0.00 0.00 177.93 177.06 1i4t h ALA 67 N 0.35 -0.85 -0.93 5.26 0.00 0.13 -1.91 119.26 121.31 1i4t h ALA 67 Ca -0.00 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 54.97 1i4t h ALA 67 Cb 0.74 0.33 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 1i4t h ALA 67 CO 0.01 -0.97 0.41 1.25 0.00 0.00 0.00 179.25 179.96 1i4t h LEU 68 N -0.87 0.31 -1.83 0.00 5.85 0.03 0.95 115.31 119.74 1i4t h LEU 68 Ca -0.09 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1i4t h LEU 68 Cb 0.66 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1i4t h LEU 68 CO 0.14 -0.08 0.02 1.23 -0.34 0.00 0.00 178.44 179.41 1i4t h GLY 69 N 0.34 0.12 0.00 3.75 0.00 -0.29 -1.70 103.07 105.30 1i4t h GLY 69 Ca 0.61 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1i4t h GLY 69 CO -0.59 0.05 -0.04 -0.55 0.00 0.00 0.00 176.54 175.42 1i4t h ASP 70 N 0.12 0.00 -0.48 0.19 3.32 0.13 -2.63 116.42 117.08 1i4t h ASP 70 Ca 0.03 -0.85 0.10 0.00 0.02 0.00 0.00 57.03 56.33 1i4t h ASP 70 Cb 0.06 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.51 1i4t h ASP 70 CO -0.00 0.95 -0.18 0.00 -1.72 0.00 0.00 179.24 178.29 1i4t h ALA 71 N -0.15 0.21 -0.03 3.45 0.00 -0.96 0.37 119.26 122.14 1i4t h ALA 71 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1i4t h ALA 71 Cb 0.87 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1i4t h ALA 71 CO -0.01 -0.51 0.02 0.74 0.00 0.00 0.00 179.25 179.50 1i4t h PHE 72 N -0.07 0.04 -0.90 0.00 0.05 -1.44 0.25 116.94 114.88 1i4t h PHE 72 Ca 0.23 0.00 0.04 0.00 3.82 0.00 0.00 57.97 62.06 1i4t h PHE 72 Cb 0.42 -0.01 -0.06 0.00 2.00 0.00 0.00 35.95 38.30 1i4t h PHE 72 CO -0.46 0.03 0.58 0.00 -0.18 0.00 0.00 178.31 178.28 1i4t h ALA 73 N 1.01 1.20 0.69 2.45 0.00 -0.92 0.18 119.26 123.87 1i4t h ALA 73 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1i4t h ALA 73 Cb -0.00 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.50 1i4t h ALA 73 CO -0.00 0.40 -0.33 0.22 0.00 0.00 0.00 179.25 179.54 1i4t h ASP 74 N 1.10 -0.79 -0.84 0.00 3.58 0.17 -2.37 116.42 117.28 1i4t h ASP 74 Ca 0.37 0.01 0.22 0.00 0.42 0.00 0.00 57.03 58.05 1i4t h ASP 74 Cb 0.05 0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.26 1i4t h ASP 74 CO -0.13 -0.52 0.58 -0.07 -2.88 0.00 0.00 179.24 176.22 1i4t h LEU 75 N -0.99 0.16 -0.63 2.28 4.07 -0.63 -0.46 115.31 119.11 1i4t h LEU 75 Ca -0.09 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 1i4t h LEU 75 Cb 0.73 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 1i4t h LEU 75 CO 0.16 0.06 0.30 -1.28 -1.08 0.00 0.00 178.44 176.60 1i4t h SER 76 N 0.16 0.82 0.64 -0.43 0.87 -0.12 -2.39 113.55 113.10 1i4t h SER 76 Ca 0.41 -0.13 -0.25 0.00 -1.23 0.00 0.00 61.79 60.60 1i4t h SER 76 Cb 1.38 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1i4t h SER 76 CO -0.07 0.72 -1.11 1.56 -0.53 0.00 0.00 176.83 177.40 1i4t h GLN 77 N 0.86 0.24 -0.76 2.24 1.08 -0.85 -3.27 115.11 114.65 1i4t h GLN 77 Ca 0.22 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1i4t h GLN 77 Cb 0.12 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1i4t h GLN 77 CO -0.03 1.13 0.00 1.63 -0.95 0.00 0.00 178.83 180.61 1i4t n LYS 78 N -3.55 2.99 -3.27 1.46 5.02 -0.72 -4.58 118.16 115.50 1i4t n LYS 78 Ca -0.06 -1.64 -0.10 0.00 -2.02 0.00 0.00 58.31 54.49 1i4t n LYS 78 Cb 0.95 -1.87 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 1i4t n LYS 78 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1i4t s SER 79 N -0.45 0.01 0.41 4.39 0.01 -0.91 -5.00 113.70 112.17 1i4t s SER 79 Ca 0.29 -1.34 0.19 0.00 1.31 0.00 0.00 55.95 56.39 1i4t s SER 79 Cb 0.21 1.14 0.91 0.00 0.21 0.00 0.00 66.02 68.49 1i4t s SER 79 CO 0.09 -0.21 1.87 -0.65 0.41 0.00 0.00 173.24 174.75 1i4t h PRO 80 N 6.87 0.00 0.00 12.44 0.11 -1.81 0.71 132.00 150.33 1i4t h PRO 80 Ca 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1i4t h PRO 80 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1i4t h PRO 80 CO 0.15 0.30 -0.03 0.93 -0.21 0.00 0.00 178.00 179.14 1i4t h GLU 81 N 0.00 0.00 0.00 1.05 3.07 -1.94 -2.68 114.58 114.08 1i4t h GLU 81 Ca -0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1i4t h GLU 81 Cb 0.64 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.45 1i4t h GLU 81 CO 0.04 0.03 -0.51 1.28 -1.40 0.00 0.00 179.01 178.45 1i4t n LEU 82 N -3.65 1.35 -0.05 1.33 4.77 -0.91 -4.90 117.00 114.94 1i4t n LEU 82 Ca -0.03 -2.33 -0.08 0.00 -0.03 0.00 0.00 56.01 53.55 1i4t n LEU 82 Cb 0.13 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1i4t n LEU 82 CO 0.27 0.65 0.70 -0.61 -1.33 0.00 0.00 177.39 177.07 1i4t h GLN 83 N 0.44 -0.22 -0.55 3.23 4.15 -0.51 -2.15 115.11 119.50 1i4t h GLN 83 Ca -0.06 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 1i4t h GLN 83 Cb 1.35 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.07 1i4t h GLN 83 CO 0.02 -0.15 0.03 1.05 -1.93 0.00 0.00 178.83 177.86 1i4t h GLU 84 N -0.23 0.91 -0.13 1.69 4.11 -1.87 -2.12 114.58 116.94 1i4t h GLU 84 Ca 0.14 -0.25 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 1i4t h GLU 84 Cb 0.45 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1i4t h GLU 84 CO -0.39 0.89 -0.04 0.93 0.07 0.00 0.00 179.01 180.47 1i4t h GLU 85 N 0.85 0.27 -0.25 1.06 3.07 -1.88 -1.63 114.58 116.07 1i4t h GLU 85 Ca 0.16 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 1i4t h GLU 85 Cb 0.46 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1i4t h GLU 85 CO 0.02 0.57 -0.05 0.74 -1.40 0.00 0.00 179.01 178.89 1i4t h PHE 86 N -0.05 0.54 -0.87 4.33 0.05 -1.44 -2.99 116.94 116.50 1i4t h PHE 86 Ca 0.03 -0.11 0.01 0.00 3.82 0.00 0.00 57.97 61.72 1i4t h PHE 86 Cb 0.48 -0.13 -0.04 0.00 2.00 0.00 0.00 35.95 38.26 1i4t h PHE 86 CO 0.06 0.69 0.57 0.78 -0.18 0.00 0.00 178.31 180.23 1i4t h GLY 87 N 0.23 1.23 1.01 -1.45 0.00 -1.40 0.47 103.07 103.16 1i4t h GLY 87 Ca 0.06 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1i4t h GLY 87 CO 0.02 0.46 0.39 -1.82 0.00 0.00 0.00 176.54 175.59 1i4t h TYR 88 N 1.19 0.74 -0.09 5.60 -0.00 -1.26 -1.66 116.97 121.49 1i4t h TYR 88 Ca 0.32 0.02 -0.15 0.00 -0.00 0.00 0.00 58.73 58.91 1i4t h TYR 88 Cb -0.12 -0.25 -0.01 0.00 -0.00 0.00 0.00 36.73 36.34 1i4t h TYR 88 CO 0.00 0.47 -0.60 -0.91 -0.00 0.00 0.00 178.16 177.12 1i4t h ASN 89 N 0.80 0.35 -0.55 -2.11 2.35 -1.22 -2.87 115.58 112.33 1i4t h ASN 89 Ca 0.22 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1i4t h ASN 89 Cb -0.09 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1i4t h ASN 89 CO -0.05 0.87 0.16 0.00 -1.65 0.00 0.00 177.43 176.76 1i4t h ALA 90 N 1.13 0.72 -0.54 -0.83 0.00 -0.51 -1.15 119.26 118.08 1i4t h ALA 90 Ca -0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1i4t h ALA 90 Cb 1.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1i4t h ALA 90 CO 0.10 0.39 0.07 0.93 0.00 0.00 0.00 179.25 180.74 1i4t h GLU 91 N 0.77 0.87 -0.14 0.00 4.39 -1.28 -1.85 114.58 117.34 1i4t h GLU 91 Ca 0.17 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1i4t h GLU 91 Cb 0.30 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1i4t h GLU 91 CO -0.00 0.82 -0.16 1.15 -1.16 0.00 0.00 179.01 179.66 1i4t h THR 92 N 0.82 1.36 -0.16 1.13 2.02 -1.24 -1.30 112.91 115.54 1i4t h THR 92 Ca 0.17 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1i4t h THR 92 Cb 0.39 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1i4t h THR 92 CO 0.01 0.39 0.02 -0.61 0.37 0.00 0.00 175.52 175.71 1i4t h GLN 93 N -0.04 0.22 -0.13 6.66 5.75 -1.18 -0.40 115.11 125.99 1i4t h GLN 93 Ca 0.02 -0.02 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 1i4t h GLN 93 Cb 0.70 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 29.21 1i4t h GLN 93 CO 0.04 0.22 -0.51 0.87 -2.65 0.00 0.00 178.83 176.80 1i4t h LYS 94 N 0.22 0.57 0.37 1.69 1.57 -1.19 -2.13 116.57 117.67 1i4t h LYS 94 Ca 0.05 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 1i4t h LYS 94 Cb 0.12 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1i4t h LYS 94 CO -0.00 1.07 -0.18 1.25 -0.57 0.00 0.00 179.45 181.02 1i4t h LEU 95 N 0.20 -0.42 -0.50 2.94 5.85 -0.77 -2.59 115.31 120.01 1i4t h LEU 95 Ca -0.03 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.71 1i4t h LEU 95 Cb 1.15 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.19 1i4t h LEU 95 CO 0.11 -0.17 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.88 1i4t h LEU 96 N -0.67 -0.39 -0.61 2.25 3.38 -1.15 -0.10 115.31 118.02 1i4t h LEU 96 Ca -0.05 0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1i4t h LEU 96 Cb 0.48 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 1i4t h LEU 96 CO 0.08 -0.14 0.07 0.00 0.09 0.00 0.00 178.44 178.55 1i4t h LYS 98 N 0.19 0.93 0.00 0.00 3.64 -0.65 -2.59 116.57 118.09 1i4t h LYS 98 Ca 0.32 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1i4t h LYS 98 Cb 0.50 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1i4t h LYS 98 CO -0.46 0.79 -0.28 -0.91 -2.27 0.00 0.00 179.45 176.32 1i4t h ASN 99 N 0.87 0.00 0.34 4.20 -0.26 -0.51 -2.88 115.58 117.34 1i4t h ASN 99 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1i4t h ASN 99 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1i4t h ASN 99 CO -0.02 0.28 0.00 0.61 -1.06 0.00 0.00 177.43 177.25 1i4t n GLY 100 N 0.40 -1.15 0.13 2.83 0.00 0.48 -2.74 105.19 105.14 1i4t n GLY 100 Ca 0.01 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1i4t n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i4t h GLU 101 N 0.00 0.32 -0.38 1.61 5.08 -1.33 -2.80 114.58 117.09 1i4t h GLU 101 Ca 0.00 -0.54 -0.07 0.00 -1.00 0.00 0.00 59.36 57.75 1i4t h GLU 101 Cb 0.17 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1i4t h GLU 101 CO 0.00 1.20 -0.07 1.15 -1.00 0.00 0.00 179.01 180.29 1i4t h THR 102 N 0.09 1.24 0.31 1.13 2.02 -1.62 -2.26 112.91 113.81 1i4t h THR 102 Ca -0.30 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1i4t h THR 102 Cb 2.06 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1i4t h THR 102 CO 0.17 0.34 -0.15 0.25 0.37 0.00 0.00 175.52 176.50 1i4t h LEU 103 N 0.59 -0.36 -1.96 2.58 5.85 -1.62 -2.37 115.31 118.03 1i4t h LEU 103 Ca 0.11 -0.19 0.18 0.00 0.84 0.00 0.00 57.88 58.82 1i4t h LEU 103 Cb 0.48 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1i4t h LEU 103 CO 0.03 0.08 0.53 0.25 -0.34 0.00 0.00 178.44 178.98 1i4t h LEU 104 N -0.89 0.00 0.03 2.25 5.85 -1.43 0.97 115.31 122.10 1i4t h LEU 104 Ca -0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1i4t h LEU 104 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1i4t h LEU 104 CO 0.07 0.00 -0.02 1.23 -0.34 0.00 0.00 178.44 179.38 1i4t h GLY 105 N 0.00 -0.05 0.40 3.75 0.00 -1.27 -2.58 103.07 103.32 1i4t h GLY 105 Ca 0.29 0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.76 1i4t h GLY 105 CO -0.00 -0.02 0.49 0.00 0.00 0.00 0.00 176.54 177.01 1i4t h ALA 106 N 0.23 1.28 -0.41 3.60 0.00 -0.32 -1.82 119.26 121.82 1i4t h ALA 106 Ca -0.00 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1i4t h ALA 106 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1i4t h ALA 106 CO 0.01 0.05 -0.18 0.28 0.00 0.00 0.00 179.25 179.40 1i4t h VAL 107 N 0.76 1.27 -0.83 0.00 2.07 -1.25 -1.51 116.25 116.76 1i4t h VAL 107 Ca 0.44 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1i4t h VAL 107 Cb 0.50 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1i4t h VAL 107 CO -0.29 0.43 0.51 0.78 0.02 0.00 0.00 177.57 179.02 1i4t h ASN 108 N 0.70 0.99 -0.51 0.57 2.35 -0.93 -0.74 115.58 118.01 1i4t h ASN 108 Ca 0.10 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1i4t h ASN 108 Cb 0.69 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1i4t h ASN 108 CO 0.05 0.75 -0.08 0.15 -1.65 0.00 0.00 177.43 176.66 1i4t h PHE 109 N 1.14 1.08 0.91 1.19 3.57 -0.91 -1.11 116.94 122.81 1i4t h PHE 109 Ca 0.30 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1i4t h PHE 109 Cb -0.06 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.42 1i4t h PHE 109 CO 0.00 1.00 -0.44 0.35 -2.23 0.00 0.00 178.31 176.99 1i4t h PHE 110 N 0.88 -1.14 -0.03 0.41 3.57 -0.51 -1.26 116.94 118.85 1i4t h PHE 110 Ca 0.15 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1i4t h PHE 110 Cb 0.62 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 1i4t h PHE 110 CO 0.04 -0.71 -0.46 0.28 -2.23 0.00 0.00 178.31 175.23 1i4t h VAL 111 N -1.27 0.10 -0.44 1.41 2.07 -1.15 -1.86 116.25 115.11 1i4t h VAL 111 Ca -0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.48 1i4t h VAL 111 Cb 0.94 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 1i4t h VAL 111 CO 0.21 0.00 -0.17 -1.28 0.02 0.00 0.00 177.57 176.35 1i4t h SER 112 N -0.59 -0.59 -0.41 0.57 0.87 -1.22 0.16 113.55 112.34 1i4t h SER 112 Ca 0.04 0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1i4t h SER 112 Cb 0.67 0.34 -0.04 0.00 -0.44 0.00 0.00 62.40 62.94 1i4t h SER 112 CO -0.35 -0.20 0.20 0.28 -0.53 0.00 0.00 176.83 176.22 1i4t h SER 113 N -0.08 0.28 0.75 6.23 0.02 -0.91 -2.41 113.55 117.43 1i4t h SER 113 Ca 0.21 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1i4t h SER 113 Cb 0.40 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1i4t h SER 113 CO -0.49 0.21 -0.53 0.40 -1.14 0.00 0.00 176.83 175.27 1i4t h ILE 114 N 0.40 1.21 -0.74 3.27 2.04 -0.91 -2.88 117.51 119.91 1i4t h ILE 114 Ca 0.18 -1.94 -0.05 0.00 1.00 0.00 0.00 64.86 64.04 1i4t h ILE 114 Cb 0.09 2.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1i4t h ILE 114 CO -0.13 0.52 0.26 -1.13 0.00 0.00 0.00 178.15 177.67 1i4t h ASN 115 N 0.00 1.05 -0.47 1.72 -0.73 -0.27 -1.96 115.58 114.91 1i4t h ASN 115 Ca -0.01 -0.18 -0.03 0.00 1.87 0.00 0.00 56.30 57.95 1i4t h ASN 115 Cb 1.06 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 1i4t h ASN 115 CO 0.07 0.95 0.17 0.74 -0.37 0.00 0.00 177.43 178.99 1i4t h THR 116 N 1.09 1.22 0.11 -3.57 2.02 -1.24 -0.23 112.91 112.31 1i4t h THR 116 Ca 0.24 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1i4t h THR 116 Cb 0.26 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1i4t h THR 116 CO -0.01 0.26 -0.14 0.25 0.37 0.00 0.00 175.52 176.24 1i4t h LEU 117 N 0.63 -0.39 0.43 2.58 5.85 -1.32 0.17 115.31 123.26 1i4t h LEU 117 Ca 0.15 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1i4t h LEU 117 Cb 0.23 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1i4t h LEU 117 CO -0.01 -0.21 -0.21 0.58 -0.34 0.00 0.00 178.44 178.25 1i4t h VAL 118 N -0.30 0.00 -0.74 1.05 2.07 -1.35 0.34 116.25 117.32 1i4t h VAL 118 Ca 0.01 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.34 1i4t h VAL 118 Cb 0.30 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 1i4t h VAL 118 CO -0.06 0.00 0.49 0.74 0.02 0.00 0.00 177.57 178.76 1i4t h THR 119 N -0.87 0.91 0.00 2.57 2.02 -1.12 -2.90 112.91 113.52 1i4t h THR 119 Ca -0.06 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1i4t h THR 119 Cb 0.44 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1i4t h THR 119 CO 0.10 0.11 -0.07 1.17 0.37 0.00 0.00 175.52 177.19 1i4t n LYS 120 N -4.49 0.04 -0.03 6.66 4.81 -0.01 -4.42 118.16 120.72 1i4t n LYS 120 Ca 0.13 0.02 -0.08 0.00 -0.87 0.00 0.00 58.31 57.50 1i4t n LYS 120 Cb 0.37 -0.31 -0.02 0.00 0.02 0.00 0.00 35.03 35.09 1i4t n LYS 120 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1i4t h THR 121 N -0.07 0.51 -0.09 3.15 2.02 -1.22 0.89 112.91 118.09 1i4t h THR 121 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1i4t h THR 121 Cb 0.07 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1i4t h THR 121 CO 0.00 0.00 -0.43 0.24 0.37 0.00 0.00 175.52 175.70 1i4t h MET 122 N -0.20 0.22 -0.10 6.66 2.86 -0.35 -2.70 114.93 121.32 1i4t h MET 122 Ca 0.12 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 1i4t h MET 122 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1i4t h MET 122 CO -0.32 0.61 -0.53 0.93 1.06 0.00 0.00 176.91 178.66 1i4t h GLU 123 N 0.18 0.27 0.19 1.72 4.39 -1.23 -1.15 114.58 118.96 1i4t h GLU 123 Ca 0.01 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1i4t h GLU 123 Cb 0.84 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1i4t h GLU 123 CO 0.07 0.74 -0.11 0.22 -1.16 0.00 0.00 179.01 178.77 1i4t h ASP 124 N 0.21 -0.26 0.03 1.42 -0.00 -0.51 -0.65 116.42 116.67 1i4t h ASP 124 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.05 1i4t h ASP 124 Cb 1.00 0.07 0.00 0.00 -0.00 0.00 0.00 39.33 40.41 1i4t h ASP 124 CO 0.08 -0.18 -0.02 0.74 -0.00 0.00 0.00 179.24 179.87 1i4t h THR 125 N -0.28 0.98 -0.34 2.25 2.02 -1.40 -2.52 112.91 113.61 1i4t h THR 125 Ca -0.02 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 67.23 1i4t h THR 125 Cb 0.23 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1i4t h THR 125 CO 0.03 0.01 0.25 -0.07 0.37 0.00 0.00 175.52 176.10 1i4t h LEU 126 N -0.05 0.03 -1.29 2.58 3.38 -1.06 0.37 115.31 119.27 1i4t h LEU 126 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1i4t h LEU 126 Cb 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1i4t h LEU 126 CO 0.01 0.02 -0.11 -0.03 0.09 0.00 0.00 178.44 178.42 1i4t h MET 127 N 0.03 0.35 0.00 1.13 4.05 -0.67 -0.58 114.93 119.24 1i4t h MET 127 Ca 0.16 -0.09 -0.19 0.00 -0.28 0.00 0.00 59.70 59.30 1i4t h MET 127 Cb 0.61 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.34 1i4t h MET 127 CO -0.01 0.47 -1.00 1.15 0.23 0.00 0.00 176.91 177.76 1i4t h THR 128 N 0.33 1.36 -0.33 -0.77 2.02 -0.24 -3.15 112.91 112.14 1i4t h THR 128 Ca 0.07 -3.00 -0.10 0.00 0.77 0.00 0.00 66.41 64.14 1i4t h THR 128 Cb 0.40 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1i4t h THR 128 CO 0.02 0.78 -0.21 0.58 0.37 0.00 0.00 175.52 177.05 1i4t h VAL 129 N 0.00 1.26 -0.30 3.16 2.07 -0.13 -2.54 116.25 119.78 1i4t h VAL 129 Ca -0.05 -1.27 -0.14 0.00 0.82 0.00 0.00 66.70 66.06 1i4t h VAL 129 Cb 1.70 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1i4t h VAL 129 CO 0.11 0.41 -0.39 0.11 0.02 0.00 0.00 177.57 177.83 1i4t h LYS 130 N 0.56 0.70 -0.54 1.57 1.57 -1.16 -1.58 116.57 117.69 1i4t h LYS 130 Ca 0.08 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.45 1i4t h LYS 130 Cb 0.67 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1i4t h LYS 130 CO 0.05 0.97 0.10 1.96 -0.57 0.00 0.00 179.45 181.96 1i4t h GLN 131 N 0.58 0.88 -0.43 3.15 4.20 -1.49 -1.83 115.11 120.17 1i4t h GLN 131 Ca 0.05 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1i4t h GLN 131 Cb 0.92 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1i4t h GLN 131 CO 0.08 0.85 0.19 -0.92 -0.67 0.00 0.00 178.83 178.36 1i4t h TYR 132 N 0.77 0.64 -0.53 2.96 3.20 -1.32 -1.92 116.97 120.78 1i4t h TYR 132 Ca 0.17 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 1i4t h TYR 132 Cb 0.38 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1i4t h TYR 132 CO 0.03 0.54 0.14 0.93 -1.64 0.00 0.00 178.16 178.16 1i4t h GLU 133 N 0.55 0.83 -0.73 1.82 5.08 -1.18 0.65 114.58 121.60 1i4t h GLU 133 Ca 0.14 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1i4t h GLU 133 Cb 0.16 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1i4t h GLU 133 CO -0.01 0.78 0.43 0.00 -1.00 0.00 0.00 179.01 179.20 1i4t h ALA 134 N 1.01 0.99 -0.41 3.43 0.00 -1.22 0.45 119.26 123.51 1i4t h ALA 134 Ca 0.17 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1i4t h ALA 134 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1i4t h ALA 134 CO -0.00 0.13 -0.15 0.00 0.00 0.00 0.00 179.25 179.22 1i4t h ALA 135 N 1.36 0.96 -0.15 0.00 0.00 -0.91 -1.25 119.26 119.27 1i4t h ALA 135 Ca 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i4t h ALA 135 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1i4t h ALA 135 CO -0.18 0.61 0.02 -0.09 0.00 0.00 0.00 179.25 179.62 1i4t h ARG 136 N 0.68 0.24 -0.44 0.00 2.43 0.15 -2.14 114.38 115.31 1i4t h ARG 136 Ca 0.11 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1i4t h ARG 136 Cb 0.64 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1i4t h ARG 136 CO 0.05 0.42 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.79 1i4t h LEU 137 N 0.02 0.73 -0.84 3.80 4.07 -0.86 -1.58 115.31 120.66 1i4t h LEU 137 Ca 0.04 -0.20 -0.12 0.00 0.08 0.00 0.00 57.88 57.69 1i4t h LEU 137 Cb 0.30 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1i4t h LEU 137 CO 0.00 0.84 -0.46 -0.33 -1.08 0.00 0.00 178.44 177.41 1i4t h GLU 138 N 0.69 0.27 -0.37 1.13 5.08 -1.18 -1.43 114.58 118.77 1i4t h GLU 138 Ca 0.13 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1i4t h GLU 138 Cb 0.52 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1i4t h GLU 138 CO 0.03 0.68 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.57 1i4t h TYR 139 N 0.22 0.83 -0.31 4.33 3.20 -1.13 -0.28 116.97 123.82 1i4t h TYR 139 Ca 0.01 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.65 1i4t h TYR 139 Cb 0.90 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1i4t h TYR 139 CO 0.02 0.89 0.03 -0.44 -1.64 0.00 0.00 178.16 177.02 1i4t h ASP 140 N 0.64 0.51 -0.91 -2.11 3.32 -0.99 -2.41 116.42 114.48 1i4t h ASP 140 Ca 0.09 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1i4t h ASP 140 Cb 0.73 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 1i4t h ASP 140 CO 0.06 0.66 0.57 0.00 -1.72 0.00 0.00 179.24 178.81 1i4t h ALA 141 N 0.87 1.29 0.36 3.45 0.00 -1.05 -1.58 119.26 122.60 1i4t h ALA 141 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1i4t h ALA 141 Cb 0.38 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1i4t h ALA 141 CO 0.01 0.63 -0.30 -0.92 0.00 0.00 0.00 179.25 178.67 1i4t h TYR 142 N 1.25 -0.79 -0.20 0.00 3.20 -0.90 0.28 116.97 119.81 1i4t h TYR 142 Ca 0.33 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.12 1i4t h TYR 142 Cb -0.08 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1i4t h TYR 142 CO 0.00 -0.44 -0.23 0.07 -1.64 0.00 0.00 178.16 175.93 1i4t h ARG 143 N -0.66 0.36 -0.72 1.82 0.11 -1.23 -1.70 114.38 112.36 1i4t h ARG 143 Ca -0.03 -0.12 -0.05 0.00 0.10 0.00 0.00 59.98 59.88 1i4t h ARG 143 Cb 0.58 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.60 1i4t h ARG 143 CO -0.02 0.58 0.24 1.15 0.10 0.00 0.00 179.97 182.02 1i4t h THR 144 N 0.33 1.25 -0.43 0.08 2.02 -1.07 -1.58 112.91 113.51 1i4t h THR 144 Ca 0.05 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 1i4t h THR 144 Cb 0.59 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1i4t h THR 144 CO 0.04 0.34 0.01 -0.78 0.37 0.00 0.00 175.52 175.50 1i4t h ASP 145 N 1.06 0.66 -0.81 4.18 -0.00 -0.38 -2.55 116.42 118.58 1i4t h ASP 145 Ca 0.24 -0.14 -0.04 0.00 -0.00 0.00 0.00 57.03 57.08 1i4t h ASP 145 Cb 0.27 -0.17 -0.04 0.00 -0.00 0.00 0.00 39.33 39.39 1i4t h ASP 145 CO -0.01 0.72 0.34 -0.07 -0.00 0.00 0.00 179.24 180.22 1i4t h LEU 146 N 0.66 1.10 -0.06 2.28 4.07 -0.43 -2.96 115.31 119.98 1i4t h LEU 146 Ca 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1i4t h LEU 146 Cb 0.40 -0.29 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 1i4t h LEU 146 CO 0.01 0.96 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.98 1i4t h GLU 147 N 1.17 0.12 -0.77 1.13 5.08 -1.02 -2.00 114.58 118.27 1i4t h GLU 147 Ca 0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1i4t h GLU 147 Cb 0.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1i4t h GLU 147 CO -0.02 0.50 0.00 -0.85 -1.00 0.00 0.00 179.01 177.64 1i4t n GLU 148 N -4.80 0.81 0.00 2.33 0.28 -0.99 -1.29 120.64 116.98 1i4t n GLU 148 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1i4t n GLU 148 Cb 0.25 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.73 1i4t n GLU 148 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1i4t n LEU 149 N 0.07 0.09 0.04 -1.84 7.94 -1.11 -4.60 117.00 117.60 1i4t n LEU 149 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.74 1i4t n LEU 149 Cb 0.19 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.09 1i4t n LEU 149 CO 0.00 0.01 0.19 0.28 -1.11 0.00 0.00 177.39 176.76 1i4t h SER 150 N 0.00 0.71 0.00 1.96 0.02 -0.51 -3.20 113.55 112.53 1i4t h SER 150 Ca 0.00 -0.54 -0.17 0.00 -0.84 0.00 0.00 61.79 60.25 1i4t h SER 150 Cb 0.89 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 1i4t h SER 150 CO 0.00 1.33 0.26 0.18 -1.14 0.00 0.00 176.83 177.46 1i4t n LEU 151 N -3.82 3.80 0.00 5.07 4.32 -0.41 -3.39 117.00 122.57 1i4t n LEU 151 Ca -0.08 -2.41 0.00 0.00 -0.02 0.00 0.00 56.01 53.50 1i4t n LEU 151 Cb 0.82 -0.98 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1i4t n LEU 151 CO 0.52 0.98 0.00 0.61 -1.22 0.00 0.00 177.39 178.28 1i4t n GLY 152 N 2.79 3.90 0.76 -0.72 0.00 -1.21 -4.98 105.19 105.73 1i4t n GLY 152 Ca 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1i4t n GLY 152 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1i4t n PRO 153 N 0.00 0.27 -1.63 1.61 -0.02 -1.26 -4.89 135.00 129.07 1i4t n PRO 153 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1i4t n PRO 153 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1i4t n PRO 153 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1i4t n ARG 154 N 0.62 -4.33 0.00 -0.52 0.00 -1.22 -5.08 116.66 106.14 1i4t n ARG 154 Ca 0.00 3.34 0.00 0.00 -0.00 0.00 0.00 57.85 61.19 1i4t n ARG 154 Cb 0.10 -4.13 0.00 0.00 0.00 0.00 0.00 32.46 28.43 1i4t n ARG 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1i4t n ASP 155 N -2.44 0.00 -2.48 6.15 8.00 -1.26 -4.98 116.55 119.54 1i4t n ASP 155 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 1i4t n ASP 155 Cb 0.44 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1i4t n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i4t n ALA 156 N 0.00 4.39 -0.12 2.24 0.00 -1.26 -4.75 120.51 121.02 1i4t n ALA 156 Ca 0.00 -3.77 -0.23 0.00 0.00 0.00 0.00 53.44 49.44 1i4t n ALA 156 Cb 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 1i4t n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i4t n GLY 157 N -0.42 -0.36 0.00 0.00 0.00 -1.26 -5.27 105.19 97.87 1i4t n GLY 157 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1i4t n GLY 157 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i4t n ARG 173 N -3.79 0.00 -0.08 1.61 3.00 -1.26 -5.32 116.66 110.81 1i4t n ARG 173 Ca -0.45 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.30 1i4t n ARG 173 Cb 0.86 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.30 1i4t n ARG 173 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1i4t h ASP 174 N 0.71 0.37 -0.65 6.15 3.45 -2.00 0.70 116.42 125.14 1i4t h ASP 174 Ca 0.00 -0.13 0.02 0.00 0.43 0.00 0.00 57.03 57.35 1i4t h ASP 174 Cb 0.00 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.64 1i4t h ASP 174 CO 0.00 0.39 0.41 0.50 -1.57 0.00 0.00 179.24 178.97 1i4t h LYS 175 N 0.31 0.78 -0.04 3.56 3.64 -1.99 0.11 116.57 122.94 1i4t h LYS 175 Ca 0.09 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1i4t h LYS 175 Cb 0.13 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1i4t h LYS 175 CO -0.01 0.52 0.02 -0.92 -2.27 0.00 0.00 179.45 176.78 1i4t h TYR 176 N 0.80 0.07 -0.70 1.91 3.20 -1.78 -1.37 116.97 119.11 1i4t h TYR 176 Ca 0.26 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1i4t h TYR 176 Cb -0.00 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 1i4t h TYR 176 CO -0.05 0.18 0.31 0.93 -1.64 0.00 0.00 178.16 177.90 1i4t h GLU 177 N -0.07 1.02 0.06 1.82 5.08 -0.49 0.40 114.58 122.40 1i4t h GLU 177 Ca 0.01 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1i4t h GLU 177 Cb 0.14 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1i4t h GLU 177 CO -0.00 0.83 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.58 1i4t h LYS 178 N 0.98 -0.08 -0.92 2.33 3.11 -0.74 -2.11 116.57 119.13 1i4t h LYS 178 Ca 0.24 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.09 1i4t h LYS 178 Cb 0.16 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.37 1i4t h LYS 178 CO -0.02 0.14 0.60 -0.07 -2.81 0.00 0.00 179.45 177.29 1i4t h LEU 179 N -0.30 1.07 -1.11 5.20 -0.00 -1.08 -1.34 115.31 117.75 1i4t h LEU 179 Ca -0.01 -0.04 0.10 0.00 -0.00 0.00 0.00 57.88 57.94 1i4t h LEU 179 Cb 0.26 -0.27 -0.07 0.00 -0.00 0.00 0.00 40.66 40.58 1i4t h LEU 179 CO 0.01 0.79 0.61 -0.09 -0.00 0.00 0.00 178.44 179.76 1i4t h ARG 180 N 1.26 0.92 -0.25 1.13 2.43 0.08 -1.68 114.38 118.28 1i4t h ARG 180 Ca 0.34 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.28 1i4t h ARG 180 Cb -0.12 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.22 1i4t h ARG 180 CO -0.07 0.61 -0.50 0.78 -1.51 0.00 0.00 179.97 179.28 1i4t h GLY 181 N 0.95 0.86 0.39 2.80 0.00 -0.64 -2.96 103.07 104.47 1i4t h GLY 181 Ca 0.45 -1.02 0.07 0.00 0.00 0.00 0.00 47.33 46.82 1i4t h GLY 181 CO -0.21 0.92 -0.02 -0.55 0.00 0.00 0.00 176.54 176.68 1i4t h ASP 182 N 0.54 -0.19 -0.05 0.19 3.32 -0.39 -2.23 116.42 117.61 1i4t h ASP 182 Ca 0.01 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1i4t h ASP 182 Cb 1.11 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1i4t h ASP 182 CO 0.11 -0.06 -0.24 -0.37 -1.72 0.00 0.00 179.24 176.97 1i4t h VAL 183 N 0.08 1.26 -0.90 -1.35 -1.51 -1.42 -2.22 116.25 110.19 1i4t h VAL 183 Ca 0.18 -1.23 0.06 0.00 -1.23 0.00 0.00 66.70 64.48 1i4t h VAL 183 Cb 0.25 1.33 -0.06 0.00 -2.13 0.00 0.00 31.29 30.68 1i4t h VAL 183 CO -0.31 0.39 0.56 0.00 -1.23 0.00 0.00 177.57 176.98 1i4t h ALA 184 N 1.34 1.24 -0.06 5.19 0.00 -1.24 0.10 119.26 125.82 1i4t h ALA 184 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1i4t h ALA 184 Cb 0.64 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1i4t h ALA 184 CO 0.05 0.32 -0.05 0.82 0.00 0.00 0.00 179.25 180.39 1i4t h ILE 185 N 1.03 1.36 -0.98 0.00 2.04 -1.15 -2.92 117.51 116.88 1i4t h ILE 185 Ca 0.39 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1i4t h ILE 185 Cb 0.17 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1i4t h ILE 185 CO -0.17 0.32 0.65 0.11 0.00 0.00 0.00 178.15 179.05 1i4t h LYS 186 N -0.27 1.29 -0.49 2.37 1.57 -0.93 -1.54 116.57 118.57 1i4t h LYS 186 Ca 0.01 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1i4t h LYS 186 Cb 0.53 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1i4t h LYS 186 CO 0.01 0.85 0.26 -0.07 -0.57 0.00 0.00 179.45 179.94 1i4t h LEU 187 N 1.33 0.60 -0.09 2.94 3.38 -0.83 0.11 115.31 122.74 1i4t h LEU 187 Ca 0.36 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 1i4t h LEU 187 Cb -0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1i4t h LEU 187 CO -0.08 0.49 -0.15 0.50 0.09 0.00 0.00 178.44 179.29 1i4t h LYS 188 N 0.68 0.25 -0.10 1.13 3.64 -1.11 -1.76 116.57 119.30 1i4t h LYS 188 Ca 0.17 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1i4t h LYS 188 Cb 0.03 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1i4t h LYS 188 CO -0.03 0.73 0.04 0.74 -2.27 0.00 0.00 179.45 178.66 1i4t h PHE 189 N -0.20 0.16 -0.70 1.91 0.05 -1.15 -2.59 116.94 114.42 1i4t h PHE 189 Ca 0.01 -0.02 0.14 0.00 3.82 0.00 0.00 57.97 61.92 1i4t h PHE 189 Cb 0.72 -0.05 -0.10 0.00 2.00 0.00 0.00 35.95 38.52 1i4t h PHE 189 CO 0.11 0.29 0.22 1.25 -0.18 0.00 0.00 178.31 179.99 1i4t h LEU 190 N -0.01 0.13 -0.75 1.54 5.85 -0.82 -0.93 115.31 120.32 1i4t h LEU 190 Ca 0.03 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1i4t h LEU 190 Cb 0.20 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1i4t h LEU 190 CO -0.00 0.04 0.03 -0.08 -0.34 0.00 0.00 178.44 178.09 1i4t h GLU 191 N 0.34 0.99 -0.53 1.25 4.57 -1.18 0.07 114.58 120.10 1i4t h GLU 191 Ca 0.39 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1i4t h GLU 191 Cb 0.60 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1i4t h GLU 191 CO -0.43 0.95 0.22 0.93 -1.18 0.00 0.00 179.01 179.50 1i4t h GLU 192 N 0.91 0.79 -0.11 1.92 5.08 -0.90 -2.47 114.58 119.80 1i4t h GLU 192 Ca 0.17 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1i4t h GLU 192 Cb 0.49 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1i4t h GLU 192 CO 0.02 0.68 -0.58 -0.97 -1.00 0.00 0.00 179.01 177.17 1i4t h ASN 193 N 0.71 0.38 -0.48 1.42 -0.73 -0.99 -3.01 115.58 112.88 1i4t h ASN 193 Ca 0.18 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 1i4t h ASN 193 Cb 0.19 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 1i4t h ASN 193 CO -0.02 0.87 0.24 0.50 -0.37 0.00 0.00 177.43 178.66 1i4t h LYS 194 N 0.25 0.68 -0.39 6.67 3.64 -0.78 -1.74 116.57 124.90 1i4t h LYS 194 Ca -0.00 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1i4t h LYS 194 Cb 1.09 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1i4t h LYS 194 CO 0.10 0.56 0.19 0.82 -2.27 0.00 0.00 179.45 178.85 1i4t h ILE 195 N 0.63 1.17 0.09 2.00 2.04 -1.43 -1.65 117.51 120.35 1i4t h ILE 195 Ca 0.17 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1i4t h ILE 195 Cb 0.09 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1i4t h ILE 195 CO -0.02 0.18 -0.04 0.11 0.00 0.00 0.00 178.15 178.37 1i4t h LYS 196 N 0.50 -0.11 0.10 2.37 1.57 -1.37 0.41 116.57 120.03 1i4t h LYS 196 Ca 0.14 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1i4t h LYS 196 Cb 0.11 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1i4t h LYS 196 CO -0.02 0.09 -0.09 0.28 -0.57 0.00 0.00 179.45 179.15 1i4t h VAL 197 N -0.30 0.80 -0.52 0.50 2.07 -1.35 -1.95 116.25 115.51 1i4t h VAL 197 Ca -0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1i4t h VAL 197 Cb 0.25 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1i4t h VAL 197 CO 0.02 0.00 0.02 0.24 0.02 0.00 0.00 177.57 177.87 1i4t h MET 198 N -0.20 0.86 -0.86 1.57 2.86 -1.32 0.49 114.93 118.33 1i4t h MET 198 Ca 0.00 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1i4t h MET 198 Cb 0.19 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 1i4t h MET 198 CO -0.02 0.84 0.43 1.25 1.06 0.00 0.00 176.91 180.47 1i4t h HIS 199 N 0.80 1.23 -0.03 -0.22 6.17 -0.71 0.03 115.15 122.42 1i4t h HIS 199 Ca 0.16 -0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.16 1i4t h HIS 199 Cb 0.45 -0.38 0.00 0.00 2.52 0.00 0.00 27.41 30.00 1i4t h HIS 199 CO 0.03 0.88 -0.08 -0.22 0.71 0.00 0.00 177.93 179.24 1i4t h LYS 200 N 1.23 0.10 -0.85 5.26 3.64 -1.08 -2.67 116.57 122.21 1i4t h LYS 200 Ca 0.30 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1i4t h LYS 200 Cb 0.10 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1i4t h LYS 200 CO -0.04 0.70 0.47 1.96 -2.27 0.00 0.00 179.45 180.27 1i4t h GLN 201 N -0.48 1.17 -0.44 1.90 1.08 -0.79 -1.31 115.11 116.25 1i4t h GLN 201 Ca -0.00 -0.13 -0.15 0.00 -1.45 0.00 0.00 58.65 56.92 1i4t h GLN 201 Cb 0.71 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1i4t h GLN 201 CO 0.02 0.85 -0.30 -0.07 -0.95 0.00 0.00 178.83 178.38 1i4t h LEU 202 N 1.18 1.02 0.35 1.46 3.38 -1.08 -0.84 115.31 120.78 1i4t h LEU 202 Ca 0.30 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1i4t h LEU 202 Cb 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1i4t h LEU 202 CO -0.05 1.23 -0.17 0.25 0.09 0.00 0.00 178.44 179.79 1i4t h LEU 203 N 0.82 -0.40 -0.12 1.67 5.85 -1.10 -1.39 115.31 120.65 1i4t h LEU 203 Ca 0.09 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1i4t h LEU 203 Cb 0.89 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1i4t h LEU 203 CO 0.08 -0.27 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.84 1i4t h LEU 204 N -0.49 0.21 -0.57 2.25 3.38 -1.27 -1.45 115.31 117.37 1i4t h LEU 204 Ca -0.05 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.70 1i4t h LEU 204 Cb 0.37 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1i4t h LEU 204 CO 0.08 0.48 0.12 0.15 0.09 0.00 0.00 178.44 179.36 1i4t h PHE 205 N -0.07 0.19 -0.54 1.13 3.57 -1.17 0.61 116.94 120.66 1i4t h PHE 205 Ca 0.03 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1i4t h PHE 205 Cb 0.38 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1i4t h PHE 205 CO 0.04 -0.02 0.36 1.25 -2.23 0.00 0.00 178.31 177.70 1i4t h HIS 206 N 0.25 0.68 -0.35 0.41 2.76 -1.10 -1.57 115.15 116.23 1i4t h HIS 206 Ca 0.30 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1i4t h HIS 206 Cb 0.43 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1i4t h HIS 206 CO -0.24 0.43 0.17 -0.97 -1.30 0.00 0.00 177.93 176.02 1i4t h ASN 207 N 0.73 0.46 -0.14 3.26 -0.00 -0.10 -1.05 115.58 118.74 1i4t h ASN 207 Ca 0.20 -0.12 0.03 0.00 -0.00 0.00 0.00 56.30 56.41 1i4t h ASN 207 Cb -0.08 -0.12 -0.03 0.00 -0.00 0.00 0.00 38.32 38.09 1i4t h ASN 207 CO -0.04 0.45 -0.05 0.00 -0.00 0.00 0.00 177.43 177.78 1i4t h ALA 208 N 1.02 0.07 -0.94 1.57 0.00 -0.69 0.77 119.26 121.06 1i4t h ALA 208 Ca 0.12 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1i4t h ALA 208 Cb 0.11 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1i4t h ALA 208 CO -0.02 -0.50 0.60 0.28 0.00 0.00 0.00 179.25 179.62 1i4t h VAL 209 N -0.03 1.01 -0.08 0.00 2.07 -1.10 -0.21 116.25 117.92 1i4t h VAL 209 Ca 0.07 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1i4t h VAL 209 Cb 0.14 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1i4t h VAL 209 CO -0.16 0.18 -0.33 0.77 0.02 0.00 0.00 177.57 178.05 1i4t h SER 210 N 1.00 0.42 -0.09 0.57 4.64 0.09 -3.12 113.55 117.07 1i4t h SER 210 Ca 0.42 -0.64 0.03 0.00 -0.47 0.00 0.00 61.79 61.13 1i4t h SER 210 Cb 0.31 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1i4t h SER 210 CO -0.18 0.99 0.09 0.00 -0.87 0.00 0.00 176.83 176.86 1i4t h ALA 211 N 0.44 1.73 0.00 5.18 0.00 0.12 -2.02 119.26 124.71 1i4t h ALA 211 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i4t h ALA 211 Cb 0.97 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1i4t h ALA 211 CO 0.07 -0.13 0.00 0.98 0.00 0.00 0.00 179.25 180.17 1i4t n TYR 212 N -3.95 0.00 0.00 0.00 9.36 -0.15 -2.61 117.16 119.82 1i4t n TYR 212 Ca -0.01 -0.55 0.00 0.00 3.32 0.00 0.00 57.90 60.66 1i4t n TYR 212 Cb 0.19 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 38.60 1i4t n TYR 212 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1i4t n PHE 213 N 0.91 0.00 0.22 2.98 3.01 -0.78 -4.80 117.46 119.01 1i4t n PHE 213 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 1i4t n PHE 213 Cb 0.42 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 1i4t n PHE 213 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1i4t h ALA 214 N 0.00 -0.76 0.00 4.37 0.00 -1.33 -0.34 119.26 121.20 1i4t h ALA 214 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1i4t h ALA 214 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1i4t h ALA 214 CO 0.00 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 178.95 1i4t n GLY 215 N -0.15 -0.92 0.21 0.00 0.00 -1.16 -1.56 105.19 101.61 1i4t n GLY 215 Ca -0.07 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1i4t n GLY 215 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i4t n ASN 216 N -1.34 1.28 -0.77 1.61 2.85 -1.15 -5.10 115.26 112.64 1i4t n ASN 216 Ca 0.07 -1.05 0.13 0.00 -0.11 0.00 0.00 54.58 53.63 1i4t n ASN 216 Cb 0.15 0.57 0.26 0.00 1.24 0.00 0.00 39.78 42.01 1i4t n ASN 216 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82