#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4l h LEU 28 N 0.00 -0.58 0.00 -2.12 4.07 -2.06 -3.21 115.31 111.41 1i4l h LEU 28 Ca 0.00 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1i4l h LEU 28 Cb 0.00 0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1i4l h LEU 28 CO 0.00 -0.29 0.00 -0.62 -1.08 0.00 0.00 178.44 176.45 1i4l n GLU 29 N -5.33 0.00 -0.06 1.13 4.71 -1.26 -1.93 120.64 117.90 1i4l n GLU 29 Ca -0.06 0.55 -0.09 0.00 -0.01 0.00 0.00 57.16 57.55 1i4l n GLU 29 Cb 0.24 -0.93 -0.03 0.00 -1.01 0.00 0.00 31.44 29.72 1i4l n GLU 29 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1i4l h LEU 30 N 0.00 -1.02 -6.15 -4.62 3.38 -1.97 -2.37 115.31 102.56 1i4l h LEU 30 Ca 0.00 0.17 -0.73 0.00 0.09 0.00 0.00 57.88 57.41 1i4l h LEU 30 Cb 0.00 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 1i4l h LEU 30 CO 0.00 -0.33 2.71 -1.84 0.09 0.00 0.00 178.44 179.07 1i4l n GLU 31 N -5.41 3.19 0.00 1.13 0.00 -0.81 0.53 120.64 119.26 1i4l n GLU 31 Ca -0.01 -2.96 0.00 0.00 0.00 0.00 0.00 57.16 54.19 1i4l n GLU 31 Cb 0.33 -3.13 0.00 0.00 0.00 0.00 0.00 31.44 28.64 1i4l n GLU 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1i4l n LEU 32 N 5.13 0.00 -0.03 -1.84 0.00 -1.13 -4.78 117.00 114.35 1i4l n LEU 32 Ca 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 56.37 1i4l n LEU 32 Cb 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.65 1i4l n LEU 32 CO 0.87 0.00 -0.71 1.67 0.00 0.00 0.00 177.39 179.21 1i4l n GLN 33 N -0.06 0.66 -0.05 1.96 7.27 0.68 -3.72 117.38 124.13 1i4l n GLN 33 Ca 0.00 0.23 -0.09 0.00 0.07 0.00 0.00 57.00 57.22 1i4l n GLN 33 Cb 0.00 -1.72 -0.08 0.00 2.41 0.00 0.00 30.24 30.85 1i4l n GLN 33 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1i4l h ILE 34 N 0.01 1.05 -0.12 1.69 1.08 -0.19 -2.66 117.51 118.38 1i4l h ILE 34 Ca -0.37 -1.74 0.03 0.00 -0.39 0.00 0.00 64.86 62.39 1i4l h ILE 34 Cb 2.05 1.97 -0.00 0.00 -3.07 0.00 0.00 36.82 37.77 1i4l h ILE 34 CO 0.07 0.35 0.46 -0.08 -0.69 0.00 0.00 178.15 178.25 1i4l h GLU 35 N -0.99 0.00 0.00 2.37 4.81 -1.79 1.08 114.58 120.06 1i4l h GLU 35 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1i4l h GLU 35 Cb 0.59 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1i4l h GLU 35 CO 0.00 0.00 -1.86 -0.11 -0.73 0.00 0.00 179.01 176.31 1i4l n LEU 36 N -3.03 0.59 0.01 1.64 7.94 -1.24 -3.02 117.00 119.90 1i4l n LEU 36 Ca 0.01 0.28 0.10 0.00 -1.11 0.00 0.00 56.01 55.28 1i4l n LEU 36 Cb 0.53 0.24 0.43 0.00 0.53 0.00 0.00 43.42 45.15 1i4l n LEU 36 CO 0.15 0.36 0.82 -0.11 -1.11 0.00 0.00 177.39 177.50 1i4l n LEU 37 N -2.91 0.05 -0.13 -1.96 7.94 0.36 -1.59 117.00 118.76 1i4l n LEU 37 Ca -0.20 0.51 -0.28 0.00 -1.11 0.00 0.00 56.01 54.93 1i4l n LEU 37 Cb 1.03 -0.50 -0.10 0.00 0.53 0.00 0.00 43.42 44.38 1i4l n LEU 37 CO 0.44 -0.18 -1.31 0.54 -1.11 0.00 0.00 177.39 175.78 1i4l n ARG 38 N -1.55 0.58 -0.23 1.96 1.74 -0.52 -2.68 116.66 115.96 1i4l n ARG 38 Ca 0.05 0.30 0.19 0.00 -0.77 0.00 0.00 57.85 57.62 1i4l n ARG 38 Cb 0.24 -1.52 0.52 0.00 -1.02 0.00 0.00 32.46 30.67 1i4l n ARG 38 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1i4l h GLU 39 N -1.00 0.38 0.04 5.56 4.81 -1.52 0.64 114.58 123.50 1i4l h GLU 39 Ca -0.63 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 58.32 1i4l h GLU 39 Cb 1.55 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.86 1i4l h GLU 39 CO -0.38 0.25 -1.06 1.15 -0.73 0.00 0.00 179.01 178.24 1i4l h THR 40 N 0.39 1.36 0.00 0.32 2.02 -1.46 -1.68 112.91 113.86 1i4l h THR 40 Ca 0.46 -2.47 -0.06 0.00 0.77 0.00 0.00 66.41 65.11 1i4l h THR 40 Cb 1.15 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 70.07 1i4l h THR 40 CO -0.16 0.74 -0.26 0.50 0.37 0.00 0.00 175.52 176.71 1i4l h LYS 41 N 0.26 0.00 0.25 6.66 3.64 -0.21 -2.19 116.57 124.99 1i4l h LYS 41 Ca -0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1i4l h LYS 41 Cb 1.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.54 1i4l h LYS 41 CO 0.19 0.26 -0.12 -0.09 -2.27 0.00 0.00 179.45 177.42 1i4l h ARG 42 N 0.00 -0.33 -1.01 1.90 1.12 0.20 -3.00 114.38 113.26 1i4l h ARG 42 Ca -0.00 0.02 0.23 0.00 -1.11 0.00 0.00 59.98 59.12 1i4l h ARG 42 Cb 0.54 0.07 -0.12 0.00 -0.01 0.00 0.00 29.97 30.45 1i4l h ARG 42 CO 0.03 -0.22 0.61 0.87 -3.11 0.00 0.00 179.97 178.15 1i4l h LYS 43 N -0.73 0.60 0.00 0.20 1.57 -1.31 1.17 116.57 118.07 1i4l h LYS 43 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1i4l h LYS 43 Cb 0.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1i4l h LYS 43 CO 0.06 0.40 0.00 0.66 -0.57 0.00 0.00 179.45 180.00 1i4l n TYR 44 N -4.82 0.35 -0.10 -1.35 0.53 -0.83 -0.47 117.16 110.49 1i4l n TYR 44 Ca 0.26 0.14 -0.21 0.00 -1.02 0.00 0.00 57.90 57.07 1i4l n TYR 44 Cb 0.70 -0.73 -0.12 0.00 -1.03 0.00 0.00 39.34 38.17 1i4l n TYR 44 CO 0.00 0.00 0.00 1.49 -1.02 0.00 0.00 176.86 177.33 1i4l h GLU 45 N 0.00 0.01 -0.42 -0.72 4.81 0.14 -1.70 114.58 116.70 1i4l h GLU 45 Ca 0.00 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1i4l h GLU 45 Cb 0.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1i4l h GLU 45 CO 0.00 1.00 0.34 1.03 -0.73 0.00 0.00 179.01 180.65 1i4l h SER 46 N -0.98 0.00 0.19 1.04 0.87 -0.38 1.03 113.55 115.32 1i4l h SER 46 Ca -0.31 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.00 1i4l h SER 46 Cb 1.28 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.27 1i4l h SER 46 CO -0.18 0.00 -1.14 0.58 -0.53 0.00 0.00 176.83 175.56 1i4l h VAL 47 N 0.00 1.39 0.00 2.23 2.07 -0.86 -2.97 116.25 118.12 1i4l h VAL 47 Ca 0.20 -2.61 -0.02 0.00 0.82 0.00 0.00 66.70 65.10 1i4l h VAL 47 Cb 0.87 3.12 -0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1i4l h VAL 47 CO -0.00 0.76 -0.08 0.25 0.02 0.00 0.00 177.57 178.51 1i4l h LEU 48 N -0.14 0.00 0.20 2.57 5.85 0.83 0.58 115.31 125.20 1i4l h LEU 48 Ca -0.20 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1i4l h LEU 48 Cb 1.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.92 1i4l h LEU 48 CO 0.21 0.08 -0.09 1.56 -0.34 0.00 0.00 178.44 179.86 1i4l h GLN 49 N 0.00 -0.25 0.00 1.25 1.08 0.82 -2.41 115.11 115.59 1i4l h GLN 49 Ca -0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1i4l h GLN 49 Cb 0.17 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1i4l h GLN 49 CO 0.01 -0.17 0.57 -0.07 -0.95 0.00 0.00 178.83 178.22 1i4l h LEU 50 N -0.43 0.00 0.05 1.46 3.38 -1.34 -0.05 115.31 118.39 1i4l h LEU 50 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1i4l h LEU 50 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1i4l h LEU 50 CO 0.04 0.00 -0.03 1.23 0.09 0.00 0.00 178.44 179.78 1i4l h GLY 51 N 0.00 -0.07 1.90 0.83 0.00 -0.50 -2.06 103.07 103.17 1i4l h GLY 51 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1i4l h GLY 51 CO 0.00 -0.03 -0.36 3.21 0.00 0.00 0.00 176.54 179.37 1i4l h ARG 52 N -0.86 0.11 0.43 4.80 3.08 -0.56 -1.28 114.38 120.11 1i4l h ARG 52 Ca -0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1i4l h ARG 52 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1i4l h ARG 52 CO 0.01 0.46 -0.23 0.00 -1.07 0.00 0.00 179.97 179.15 1i4l h ALA 53 N 1.54 -0.60 -0.99 0.04 0.00 -1.41 0.58 119.26 118.42 1i4l h ALA 53 Ca 0.01 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.95 1i4l h ALA 53 Cb 0.68 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1i4l h ALA 53 CO 0.05 -0.84 0.62 1.25 0.00 0.00 0.00 179.25 180.32 1i4l h LEU 54 N -0.61 0.81 0.62 0.00 5.85 -0.95 0.17 115.31 121.21 1i4l h LEU 54 Ca -0.05 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1i4l h LEU 54 Cb 0.48 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.43 1i4l h LEU 54 CO 0.08 0.36 -0.30 0.74 -0.34 0.00 0.00 178.44 178.99 1i4l h THR 55 N 0.83 0.35 -0.03 1.05 2.02 -0.41 -1.19 112.91 115.53 1i4l h THR 55 Ca 0.53 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.57 1i4l h THR 55 Cb 0.74 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1i4l h THR 55 CO -0.31 0.02 -0.07 0.00 0.37 0.00 0.00 175.52 175.53 1i4l h ALA 56 N -0.60 -0.43 -0.95 6.16 0.00 0.23 0.13 119.26 123.80 1i4l h ALA 56 Ca -0.09 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.00 1i4l h ALA 56 Cb 0.67 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 1i4l h ALA 56 CO 0.14 -0.45 0.60 0.45 0.00 0.00 0.00 179.25 179.99 1i4l h HIS 57 N -0.06 0.83 -0.47 0.00 -0.00 -0.85 -1.12 115.15 113.49 1i4l h HIS 57 Ca 0.01 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.33 1i4l h HIS 57 Cb 0.08 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 1i4l h HIS 57 CO -0.53 0.23 0.01 1.25 -0.00 0.00 0.00 177.93 178.90 1i4l h LEU 58 N 0.64 0.80 0.18 2.43 5.85 -0.46 -1.68 115.31 123.07 1i4l h LEU 58 Ca 0.51 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1i4l h LEU 58 Cb 0.94 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1i4l h LEU 58 CO -0.26 0.91 -0.11 0.22 -0.34 0.00 0.00 178.44 178.86 1i4l h TYR 59 N 0.68 -0.28 0.18 1.25 3.20 0.45 -2.22 116.97 120.22 1i4l h TYR 59 Ca 0.13 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1i4l h TYR 59 Cb 0.49 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 1i4l h TYR 59 CO 0.04 -0.17 -0.40 0.77 -1.64 0.00 0.00 178.16 176.75 1i4l h SER 60 N -0.28 -1.17 -1.10 -2.11 0.02 -1.29 -1.30 113.55 106.31 1i4l h SER 60 Ca -0.02 0.12 0.30 0.00 -0.84 0.00 0.00 61.79 61.36 1i4l h SER 60 Cb 0.23 0.43 -0.07 0.00 0.14 0.00 0.00 62.40 63.13 1i4l h SER 60 CO 0.02 -0.49 0.75 0.25 -1.14 0.00 0.00 176.83 176.22 1i4l h LEU 61 N -0.68 0.21 -0.15 5.07 5.85 -1.17 0.18 115.31 124.62 1i4l h LEU 61 Ca 0.01 0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 1i4l h LEU 61 Cb 0.68 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.73 1i4l h LEU 61 CO -0.20 0.03 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.21 1i4l h LEU 62 N 0.18 0.84 -0.71 2.25 3.38 -0.63 -1.79 115.31 118.84 1i4l h LEU 62 Ca 0.58 -0.62 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1i4l h LEU 62 Cb 1.88 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.32 1i4l h LEU 62 CO -0.15 1.32 0.40 1.56 0.09 0.00 0.00 178.44 181.66 1i4l h GLN 63 N 0.41 0.70 -0.32 1.13 1.08 -0.05 0.70 115.11 118.76 1i4l h GLN 63 Ca -0.04 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1i4l h GLN 63 Cb 1.29 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 1i4l h GLN 63 CO 0.14 0.46 0.03 1.15 -0.95 0.00 0.00 178.83 179.65 1i4l h THR 64 N 0.72 1.25 -0.14 -0.54 2.02 -1.26 -1.54 112.91 113.41 1i4l h THR 64 Ca 0.33 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 1i4l h THR 64 Cb 0.23 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1i4l h THR 64 CO -0.20 0.29 -0.31 1.56 0.37 0.00 0.00 175.52 177.23 1i4l h GLN 65 N 0.37 0.26 0.01 6.66 4.20 -0.81 0.18 115.11 125.98 1i4l h GLN 65 Ca 0.10 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1i4l h GLN 65 Cb 0.40 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1i4l h GLN 65 CO 0.01 0.56 -0.00 1.25 -0.67 0.00 0.00 178.83 179.97 1i4l h HIS 66 N 0.23 -0.01 -0.43 2.96 2.76 -0.67 -0.73 115.15 119.26 1i4l h HIS 66 Ca 0.03 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1i4l h HIS 66 Cb 0.67 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 1i4l h HIS 66 CO 0.01 0.30 0.09 0.00 -1.30 0.00 0.00 177.93 177.03 1i4l h ALA 67 N 0.68 1.34 -0.06 5.26 0.00 -1.12 -2.32 119.26 123.05 1i4l h ALA 67 Ca -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1i4l h ALA 67 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1i4l h ALA 67 CO 0.00 0.47 -0.62 1.25 0.00 0.00 0.00 179.25 180.34 1i4l h LEU 68 N 0.64 0.23 -0.47 0.00 5.85 -0.50 -0.82 115.31 120.24 1i4l h LEU 68 Ca 0.14 -0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1i4l h LEU 68 Cb 0.27 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1i4l h LEU 68 CO -0.00 0.80 -0.64 1.23 -0.34 0.00 0.00 178.44 179.48 1i4l h GLY 69 N 1.55 0.50 0.99 3.75 0.00 -0.78 -0.08 103.07 109.00 1i4l h GLY 69 Ca -0.01 -0.64 -0.16 0.00 0.00 0.00 0.00 47.33 46.52 1i4l h GLY 69 CO 0.09 0.58 -0.50 -0.55 0.00 0.00 0.00 176.54 176.16 1i4l h ASP 70 N 0.33 0.76 -0.91 0.19 3.45 -1.32 0.64 116.42 119.56 1i4l h ASP 70 Ca -0.01 -0.58 0.00 0.00 0.43 0.00 0.00 57.03 56.87 1i4l h ASP 70 Cb 1.20 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 39.70 1i4l h ASP 70 CO 0.11 1.20 0.59 0.00 -1.57 0.00 0.00 179.24 179.57 1i4l h ALA 71 N 0.58 1.31 -0.09 3.45 0.00 -1.04 -0.37 119.26 123.10 1i4l h ALA 71 Ca -0.01 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1i4l h ALA 71 Cb 1.11 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1i4l h ALA 71 CO 0.11 0.62 -0.83 0.74 0.00 0.00 0.00 179.25 179.89 1i4l h PHE 72 N 1.25 0.86 -0.36 0.00 0.05 -0.89 -2.11 116.94 115.74 1i4l h PHE 72 Ca 0.33 -0.41 0.00 0.00 3.82 0.00 0.00 57.97 61.72 1i4l h PHE 72 Cb -0.11 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 37.70 1i4l h PHE 72 CO 0.00 1.22 0.23 0.00 -0.18 0.00 0.00 178.31 179.58 1i4l h ALA 73 N 0.66 0.46 0.06 2.45 0.00 -0.49 -0.11 119.26 122.29 1i4l h ALA 73 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1i4l h ALA 73 Cb 1.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1i4l h ALA 73 CO 0.16 -0.06 -0.07 0.22 0.00 0.00 0.00 179.25 179.49 1i4l h ASP 74 N 0.48 -0.20 -0.36 0.00 3.58 -1.07 -1.88 116.42 116.97 1i4l h ASP 74 Ca 0.13 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1i4l h ASP 74 Cb -0.02 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1i4l h ASP 74 CO -0.03 -0.11 0.24 -0.07 -2.88 0.00 0.00 179.24 176.39 1i4l h LEU 75 N -0.16 0.41 -0.49 2.28 -0.00 -1.20 -1.61 115.31 114.55 1i4l h LEU 75 Ca 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1i4l h LEU 75 Cb 0.16 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.69 1i4l h LEU 75 CO -0.03 0.30 0.26 -1.28 -0.00 0.00 0.00 178.44 177.68 1i4l h SER 76 N 0.49 0.62 0.04 -0.43 0.87 -0.35 0.59 113.55 115.38 1i4l h SER 76 Ca 0.13 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 1i4l h SER 76 Cb -0.06 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1i4l h SER 76 CO -0.03 0.55 -0.29 1.56 -0.53 0.00 0.00 176.83 178.09 1i4l h GLN 77 N 0.64 0.38 0.00 2.24 4.20 -0.56 -3.27 115.11 118.74 1i4l h GLN 77 Ca 0.17 -0.15 -0.24 0.00 0.06 0.00 0.00 58.65 58.49 1i4l h GLN 77 Cb 0.08 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1i4l h GLN 77 CO -0.03 0.64 -1.60 1.63 -0.67 0.00 0.00 178.83 178.80 1i4l n LYS 78 N -4.11 0.63 -3.29 1.46 4.01 -0.73 -4.65 118.16 111.47 1i4l n LYS 78 Ca -0.01 0.26 -0.42 0.00 -0.51 0.00 0.00 58.31 57.63 1i4l n LYS 78 Cb 0.41 -1.79 -0.01 0.00 -0.51 0.00 0.00 35.03 33.13 1i4l n LYS 78 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1i4l n SER 79 N -2.97 5.48 0.11 4.39 7.64 0.20 -4.88 113.62 123.59 1i4l n SER 79 Ca -0.14 -3.19 0.20 0.00 1.01 0.00 0.00 58.87 56.74 1i4l n SER 79 Cb 0.97 -1.25 0.75 0.00 -1.01 0.00 0.00 64.21 63.67 1i4l n SER 79 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1i4l h PRO 80 N 6.02 0.00 0.00 1.43 0.13 -1.82 0.24 132.00 138.00 1i4l h PRO 80 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1i4l h PRO 80 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1i4l h PRO 80 CO 1.08 0.00 -0.21 0.93 -0.23 0.00 0.00 178.00 179.57 1i4l h GLU 81 N 0.00 0.00 -0.45 0.86 3.07 -1.94 -3.15 114.58 112.97 1i4l h GLU 81 Ca 0.18 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.72 1i4l h GLU 81 Cb 1.01 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.55 1i4l h GLU 81 CO -0.00 0.21 -0.95 1.28 -1.40 0.00 0.00 179.01 178.15 1i4l n LEU 82 N -3.48 2.78 -0.09 1.33 4.77 0.65 -4.90 117.00 118.08 1i4l n LEU 82 Ca -0.00 -3.59 -0.11 0.00 -0.03 0.00 0.00 56.01 52.28 1i4l n LEU 82 Cb 0.38 0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1i4l n LEU 82 CO 0.33 1.38 0.82 -0.61 -1.33 0.00 0.00 177.39 177.98 1i4l h GLN 83 N 2.12 0.43 0.09 3.23 4.15 -0.99 -2.25 115.11 121.88 1i4l h GLN 83 Ca 0.04 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1i4l h GLN 83 Cb 1.41 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1i4l h GLN 83 CO 0.36 0.53 -0.04 0.93 -1.93 0.00 0.00 178.83 178.67 1i4l h GLU 84 N 0.25 -0.12 -0.61 1.69 5.08 -1.88 0.47 114.58 119.46 1i4l h GLU 84 Ca 0.08 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1i4l h GLU 84 Cb 0.30 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1i4l h GLU 84 CO 0.00 0.23 0.27 0.93 -1.00 0.00 0.00 179.01 179.45 1i4l h GLU 85 N -0.48 0.48 0.00 2.33 3.07 -1.95 0.48 114.58 118.51 1i4l h GLU 85 Ca -0.01 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.68 1i4l h GLU 85 Cb 0.40 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1i4l h GLU 85 CO 0.02 0.32 -0.67 0.74 -1.40 0.00 0.00 179.01 178.02 1i4l h PHE 86 N 0.49 0.00 0.52 4.33 -1.00 -1.43 -2.96 116.94 116.89 1i4l h PHE 86 Ca 0.30 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.05 1i4l h PHE 86 Cb 0.31 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.87 1i4l h PHE 86 CO -0.13 0.67 -0.25 0.78 -1.61 0.00 0.00 178.31 177.76 1i4l h GLY 87 N 2.04 -0.74 2.00 -1.45 0.00 0.14 -1.85 103.07 103.22 1i4l h GLY 87 Ca -0.01 0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1i4l h GLY 87 CO 0.09 -0.27 -0.19 0.10 0.00 0.00 0.00 176.54 176.27 1i4l h TYR 88 N -0.91 0.00 -0.11 5.60 -0.00 -0.27 -2.51 116.97 118.78 1i4l h TYR 88 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.51 1i4l h TYR 88 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.33 1i4l h TYR 88 CO -0.00 0.19 -0.58 -0.91 -0.00 0.00 0.00 178.16 176.85 1i4l h ASN 89 N 0.00 0.40 -0.06 0.10 2.35 -1.44 -2.32 115.58 114.61 1i4l h ASN 89 Ca -0.00 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.47 1i4l h ASN 89 Cb 0.52 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1i4l h ASN 89 CO 0.02 0.89 -0.20 0.00 -1.65 0.00 0.00 177.43 176.49 1i4l h ALA 90 N 1.12 0.11 -0.12 -0.83 0.00 -0.95 -2.25 119.26 116.33 1i4l h ALA 90 Ca -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1i4l h ALA 90 Cb 1.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1i4l h ALA 90 CO 0.10 0.07 -0.11 0.93 0.00 0.00 0.00 179.25 180.23 1i4l h GLU 91 N -0.27 -0.13 0.04 0.00 4.39 -1.49 0.19 114.58 117.31 1i4l h GLU 91 Ca -0.01 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1i4l h GLU 91 Cb 0.83 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.46 1i4l h GLU 91 CO 0.04 -0.09 -0.34 1.15 -1.16 0.00 0.00 179.01 178.62 1i4l h THR 92 N -0.14 0.28 -0.54 1.13 2.02 -1.45 0.25 112.91 114.46 1i4l h THR 92 Ca 0.08 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.33 1i4l h THR 92 Cb 0.26 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1i4l h THR 92 CO -0.20 0.00 0.36 -0.61 0.37 0.00 0.00 175.52 175.44 1i4l h GLN 93 N -0.52 0.48 -0.34 6.66 5.75 -1.06 0.51 115.11 126.60 1i4l h GLN 93 Ca 0.05 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.35 1i4l h GLN 93 Cb 0.58 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 1i4l h GLN 93 CO -0.25 0.32 -0.47 0.87 -2.65 0.00 0.00 178.83 176.65 1i4l h LYS 94 N 0.49 0.91 -0.25 1.69 1.57 0.12 -1.45 116.57 119.66 1i4l h LYS 94 Ca 0.24 -0.53 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1i4l h LYS 94 Cb 0.30 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1i4l h LYS 94 CO -0.06 1.18 0.01 1.25 -0.57 0.00 0.00 179.45 181.25 1i4l h LEU 95 N 0.72 0.42 -0.98 2.94 5.85 0.27 -1.83 115.31 122.70 1i4l h LEU 95 Ca 0.04 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.55 1i4l h LEU 95 Cb 1.07 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 1i4l h LEU 95 CO 0.11 0.62 0.62 -0.07 -0.34 0.00 0.00 178.44 179.38 1i4l h LEU 96 N 0.21 0.94 -0.22 2.25 4.07 -0.85 -0.31 115.31 121.40 1i4l h LEU 96 Ca 0.07 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 1i4l h LEU 96 Cb 0.40 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1i4l h LEU 96 CO 0.01 0.54 -0.02 0.00 -1.08 0.00 0.00 178.44 177.90 1i4l h LYS 98 N 0.16 -0.27 -0.81 0.00 3.64 -0.58 -2.07 116.57 116.64 1i4l h LYS 98 Ca 0.06 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1i4l h LYS 98 Cb 0.44 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1i4l h LYS 98 CO 0.01 -0.18 0.34 -0.91 -2.27 0.00 0.00 179.45 176.45 1i4l h ASN 99 N -0.28 1.10 -0.16 4.20 2.35 -1.05 -2.14 115.58 119.60 1i4l h ASN 99 Ca 0.02 -0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1i4l h ASN 99 Cb 0.29 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1i4l h ASN 99 CO -0.07 0.97 0.17 1.23 -1.65 0.00 0.00 177.43 178.07 1i4l h GLY 100 N 1.17 0.00 0.86 2.83 0.00 -0.38 -1.76 103.07 105.80 1i4l h GLY 100 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1i4l h GLY 100 CO -0.02 0.00 -0.11 0.83 0.00 0.00 0.00 176.54 177.23 1i4l h GLU 101 N 0.00 -0.31 0.00 4.80 4.39 -0.70 -0.38 114.58 122.38 1i4l h GLU 101 Ca 0.08 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.82 1i4l h GLU 101 Cb 0.41 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1i4l h GLU 101 CO -0.00 -0.10 -0.16 1.15 -1.16 0.00 0.00 179.01 178.74 1i4l h THR 102 N -0.46 0.61 -0.71 1.13 2.02 -1.40 0.25 112.91 114.35 1i4l h THR 102 Ca -0.03 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.28 1i4l h THR 102 Cb 0.35 0.61 -0.09 0.00 -1.74 0.00 0.00 68.15 67.28 1i4l h THR 102 CO 0.05 0.00 0.24 0.25 0.37 0.00 0.00 175.52 176.43 1i4l h LEU 103 N -0.27 0.18 -0.33 2.58 5.85 -1.38 0.61 115.31 122.55 1i4l h LEU 103 Ca 0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1i4l h LEU 103 Cb 0.33 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1i4l h LEU 103 CO -0.15 0.06 0.21 0.25 -0.34 0.00 0.00 178.44 178.47 1i4l h LEU 104 N 0.38 0.39 -0.09 2.25 5.85 -0.38 0.14 115.31 123.85 1i4l h LEU 104 Ca 0.39 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.10 1i4l h LEU 104 Cb 0.59 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1i4l h LEU 104 CO -0.42 0.31 -0.51 1.23 -0.34 0.00 0.00 178.44 178.72 1i4l h GLY 105 N 0.44 -0.99 -0.15 3.75 0.00 0.11 0.13 103.07 106.35 1i4l h GLY 105 Ca 0.12 0.63 0.03 0.00 0.00 0.00 0.00 47.33 48.11 1i4l h GLY 105 CO -0.02 -0.22 -0.49 0.00 0.00 0.00 0.00 176.54 175.81 1i4l h ALA 106 N -0.22 -0.84 -1.02 3.60 0.00 -0.50 0.16 119.26 120.45 1i4l h ALA 106 Ca 0.04 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1i4l h ALA 106 Cb 0.68 0.98 -0.11 0.00 0.00 0.00 0.00 17.79 19.34 1i4l h ALA 106 CO -0.41 -1.02 0.62 0.28 0.00 0.00 0.00 179.25 178.72 1i4l h VAL 107 N -0.51 0.54 0.00 0.00 2.07 -0.25 0.39 116.25 118.49 1i4l h VAL 107 Ca 0.03 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1i4l h VAL 107 Cb 0.60 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1i4l h VAL 107 CO -0.41 0.10 -0.00 0.78 0.02 0.00 0.00 177.57 178.06 1i4l h ASN 108 N 0.53 -0.00 -0.94 0.57 2.35 0.10 -1.73 115.58 116.46 1i4l h ASN 108 Ca 0.63 -0.33 0.10 0.00 -0.55 0.00 0.00 56.30 56.15 1i4l h ASN 108 Cb 1.31 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.60 1i4l h ASN 108 CO -0.42 0.33 0.60 0.15 -1.65 0.00 0.00 177.43 176.45 1i4l h PHE 109 N -0.33 1.04 0.00 1.19 3.57 0.17 0.34 116.94 122.91 1i4l h PHE 109 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1i4l h PHE 109 Cb 0.33 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1i4l h PHE 109 CO 0.04 0.46 0.00 0.34 -2.23 0.00 0.00 178.31 176.91 1i4l n PHE 110 N -4.56 0.00 -0.22 0.41 7.35 0.11 -0.98 117.46 119.57 1i4l n PHE 110 Ca 0.17 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.98 1i4l n PHE 110 Cb 0.32 0.00 0.24 0.00 0.35 0.00 0.00 39.48 40.40 1i4l n PHE 110 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1i4l n VAL 111 N -0.10 -0.27 0.17 -2.13 0.31 -0.68 0.27 118.33 115.89 1i4l n VAL 111 Ca 0.00 1.39 -0.11 0.00 -0.01 0.00 0.00 64.34 65.61 1i4l n VAL 111 Cb 0.00 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 30.77 1i4l n VAL 111 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1i4l h SER 112 N 0.00 -0.87 -0.27 4.52 0.87 -0.27 0.13 113.55 117.66 1i4l h SER 112 Ca 0.44 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 61.13 1i4l h SER 112 Cb 0.99 0.29 -0.06 0.00 -0.44 0.00 0.00 62.40 63.18 1i4l h SER 112 CO -0.58 -0.40 -0.12 0.28 -0.53 0.00 0.00 176.83 175.48 1i4l h SER 113 N -0.60 -0.41 -0.44 6.23 0.02 0.16 0.34 113.55 118.84 1i4l h SER 113 Ca -0.04 0.10 0.13 0.00 -0.84 0.00 0.00 61.79 61.14 1i4l h SER 113 Cb 0.53 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 1i4l h SER 113 CO -0.05 -0.15 0.42 0.40 -1.14 0.00 0.00 176.83 176.31 1i4l h ILE 114 N -0.08 0.46 0.13 3.27 5.03 -1.02 0.66 117.51 125.96 1i4l h ILE 114 Ca 0.14 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.87 1i4l h ILE 114 Cb 0.29 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 34.76 1i4l h ILE 114 CO -0.32 0.00 -0.06 -1.13 -0.68 0.00 0.00 178.15 175.96 1i4l h ASN 115 N 0.00 -0.14 -1.01 1.72 -0.73 0.24 -3.00 115.58 112.65 1i4l h ASN 115 Ca 0.21 -0.42 0.24 0.00 1.87 0.00 0.00 56.30 58.21 1i4l h ASN 115 Cb 1.05 0.04 -0.11 0.00 0.27 0.00 0.00 38.32 39.57 1i4l h ASN 115 CO -0.00 0.42 0.63 0.74 -0.37 0.00 0.00 177.43 178.85 1i4l h THR 116 N -0.80 0.57 0.00 -3.57 2.02 0.54 1.05 112.91 112.72 1i4l h THR 116 Ca -0.02 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1i4l h THR 116 Cb 0.55 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1i4l h THR 116 CO 0.03 0.10 0.00 -0.11 0.37 0.00 0.00 175.52 175.91 1i4l n LEU 117 N -4.75 0.07 -0.04 2.58 7.94 -0.58 -2.52 117.00 119.69 1i4l n LEU 117 Ca 0.25 0.51 -0.07 0.00 -1.11 0.00 0.00 56.01 55.59 1i4l n LEU 117 Cb 0.76 -0.50 -0.04 0.00 0.53 0.00 0.00 43.42 44.18 1i4l n LEU 117 CO 0.21 -0.20 -0.79 0.52 -1.11 0.00 0.00 177.39 176.02 1i4l n VAL 118 N -1.57 0.49 0.16 1.96 0.31 0.31 -2.74 118.33 117.25 1i4l n VAL 118 Ca 0.04 -0.16 0.02 0.00 -0.01 0.00 0.00 64.34 64.24 1i4l n VAL 118 Cb 0.23 -1.15 0.22 0.00 -0.91 0.00 0.00 33.84 32.23 1i4l n VAL 118 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1i4l h THR 119 N -0.14 1.09 0.00 2.52 1.35 -0.19 -3.29 112.91 114.26 1i4l h THR 119 Ca -0.21 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1i4l h THR 119 Cb 1.25 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1i4l h THR 119 CO -0.08 0.50 0.00 0.29 -0.25 0.00 0.00 175.52 175.98 1i4l n LYS 120 N -3.55 0.00 -0.30 4.72 5.02 -1.09 -4.54 118.16 118.43 1i4l n LYS 120 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1i4l n LYS 120 Cb 0.60 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.68 1i4l n LYS 120 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1i4l h THR 121 N 0.00 0.12 -0.43 -0.18 2.02 -1.73 0.50 112.91 113.21 1i4l h THR 121 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1i4l h THR 121 Cb 0.00 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1i4l h THR 121 CO 0.00 0.00 -0.13 0.24 0.37 0.00 0.00 175.52 176.00 1i4l h MET 122 N -0.04 0.79 0.62 6.66 2.86 -1.70 -3.01 114.93 121.12 1i4l h MET 122 Ca 0.35 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1i4l h MET 122 Cb 0.60 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.21 1i4l h MET 122 CO -0.85 0.88 -0.30 1.49 1.06 0.00 0.00 176.91 179.18 1i4l h GLU 123 N 0.71 -0.81 -1.39 1.72 4.57 -0.67 0.48 114.58 119.19 1i4l h GLU 123 Ca 0.12 0.06 0.46 0.00 -1.18 0.00 0.00 59.36 58.81 1i4l h GLU 123 Cb 0.62 0.18 -0.12 0.00 -0.16 0.00 0.00 28.75 29.28 1i4l h GLU 123 CO 0.04 -0.50 0.92 -3.47 -1.18 0.00 0.00 179.01 174.82 1i4l n ASP 124 N -5.41 0.15 -0.01 1.04 4.64 0.14 0.16 116.55 117.27 1i4l n ASP 124 Ca -0.13 1.21 -0.21 0.00 -1.38 0.00 0.00 54.79 54.29 1i4l n ASP 124 Cb 0.36 -0.60 -0.14 0.00 -1.04 0.00 0.00 41.12 39.70 1i4l n ASP 124 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 1i4l h THR 125 N 0.00 1.17 0.00 5.18 2.02 -1.25 -3.16 112.91 116.86 1i4l h THR 125 Ca 0.83 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1i4l h THR 125 Cb 2.81 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 72.02 1i4l h THR 125 CO -0.34 0.65 0.00 0.25 0.37 0.00 0.00 175.52 176.45 1i4l h LEU 126 N -0.46 0.00 0.05 2.58 5.85 0.65 -2.71 115.31 121.28 1i4l h LEU 126 Ca -0.25 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.29 1i4l h LEU 126 Cb 1.62 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 1i4l h LEU 126 CO 0.04 0.00 -0.90 -0.03 -0.34 0.00 0.00 178.44 177.21 1i4l h MET 127 N 0.00 0.11 0.00 1.25 4.05 0.12 -3.17 114.93 117.29 1i4l h MET 127 Ca 0.00 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1i4l h MET 127 Cb 0.27 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1i4l h MET 127 CO 0.00 1.09 0.00 1.15 0.23 0.00 0.00 176.91 179.38 1i4l h THR 128 N -0.70 0.00 0.11 -0.77 2.02 -1.47 0.26 112.91 112.36 1i4l h THR 128 Ca -0.21 -0.07 -0.30 0.00 0.77 0.00 0.00 66.41 66.60 1i4l h THR 128 Cb 1.41 0.71 0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1i4l h THR 128 CO -0.02 0.00 -1.23 0.58 0.37 0.00 0.00 175.52 175.22 1i4l h VAL 129 N 0.00 1.28 -0.89 3.16 2.07 -1.55 -1.65 116.25 118.68 1i4l h VAL 129 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1i4l h VAL 129 Cb 0.10 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 1i4l h VAL 129 CO 0.00 0.75 0.57 0.11 0.02 0.00 0.00 177.57 179.02 1i4l h LYS 130 N 0.29 1.18 -0.28 1.57 1.79 -0.50 1.56 116.57 122.19 1i4l h LYS 130 Ca -0.18 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.12 1i4l h LYS 130 Cb 1.89 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 32.27 1i4l h LYS 130 CO 0.23 0.80 -0.19 1.96 -1.08 0.00 0.00 179.45 181.18 1i4l h GLN 131 N 1.21 0.50 -0.25 3.15 4.20 -1.30 0.22 115.11 122.83 1i4l h GLN 131 Ca 0.32 -0.17 -0.13 0.00 0.06 0.00 0.00 58.65 58.74 1i4l h GLN 131 Cb -0.11 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1i4l h GLN 131 CO -0.07 0.67 -0.33 -0.92 -0.67 0.00 0.00 178.83 177.50 1i4l h TYR 132 N 0.45 0.82 -0.01 2.96 3.20 0.04 -3.07 116.97 121.36 1i4l h TYR 132 Ca 0.07 -0.27 -0.09 0.00 3.14 0.00 0.00 58.73 61.59 1i4l h TYR 132 Cb 0.58 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1i4l h TYR 132 CO 0.02 1.02 -0.42 0.93 -1.64 0.00 0.00 178.16 178.07 1i4l h GLU 133 N 0.39 0.01 0.52 1.82 5.08 0.26 -2.67 114.58 119.99 1i4l h GLU 133 Ca 0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1i4l h GLU 133 Cb 0.92 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1i4l h GLU 133 CO 0.08 0.43 -0.42 0.00 -1.00 0.00 0.00 179.01 178.10 1i4l h ALA 134 N 1.57 -1.14 -0.84 3.43 0.00 -0.49 -2.47 119.26 119.32 1i4l h ALA 134 Ca -0.00 -0.18 -0.76 0.00 0.00 0.00 0.00 54.91 53.96 1i4l h ALA 134 Cb 0.74 0.60 -0.17 0.00 0.00 0.00 0.00 17.79 18.97 1i4l h ALA 134 CO 0.05 -1.14 1.99 0.00 0.00 0.00 0.00 179.25 180.16 1i4l n ALA 135 N -2.68 6.52 0.08 0.00 0.00 -1.17 -4.41 120.51 118.85 1i4l n ALA 135 Ca -0.11 -4.25 0.00 0.00 0.00 0.00 0.00 53.44 49.08 1i4l n ALA 135 Cb 0.40 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1i4l n ALA 135 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1i4l n ARG 136 N 1.32 0.00 0.00 0.00 0.63 -0.93 -4.82 116.66 112.86 1i4l n ARG 136 Ca 0.57 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.62 1i4l n ARG 136 Cb 0.26 -0.31 0.36 0.00 0.45 0.00 0.00 32.46 33.21 1i4l n ARG 136 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1i4l n LEU 137 N -3.46 0.76 0.22 6.15 4.32 -1.25 -3.60 117.00 120.14 1i4l n LEU 137 Ca 0.00 -0.12 0.14 0.00 -0.02 0.00 0.00 56.01 56.01 1i4l n LEU 137 Cb 0.00 -0.18 0.41 0.00 -1.62 0.00 0.00 43.42 42.02 1i4l n LEU 137 CO 0.00 0.15 0.89 1.05 -1.22 0.00 0.00 177.39 178.26 1i4l h GLU 138 N 0.67 0.00 0.04 3.23 -0.00 -1.86 0.53 114.58 117.20 1i4l h GLU 138 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 59.02 1i4l h GLU 138 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.20 1i4l h GLU 138 CO 0.00 0.00 -1.97 0.98 -0.00 0.00 0.00 179.01 178.02 1i4l n TYR 139 N -2.90 0.85 0.22 2.06 9.36 -1.24 -2.24 117.16 123.27 1i4l n TYR 139 Ca 0.03 0.25 0.12 0.00 3.32 0.00 0.00 57.90 61.61 1i4l n TYR 139 Cb 0.41 -1.14 0.19 0.00 -0.63 0.00 0.00 39.34 38.17 1i4l n TYR 139 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1i4l h ASP 140 N 0.02 0.00 0.00 2.98 1.82 -1.60 -3.07 116.42 116.57 1i4l h ASP 140 Ca -0.40 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.14 1i4l h ASP 140 Cb 2.04 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 42.04 1i4l h ASP 140 CO 0.06 0.04 -0.69 0.00 -1.61 0.00 0.00 179.24 177.04 1i4l h ALA 141 N 1.96 0.11 0.00 -0.78 0.00 -0.05 -3.31 119.26 117.19 1i4l h ALA 141 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1i4l h ALA 141 Cb 1.00 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1i4l h ALA 141 CO 0.00 0.45 0.09 0.66 0.00 0.00 0.00 179.25 180.45 1i4l n TYR 142 N -4.56 0.29 -0.06 0.00 4.02 -0.95 0.88 117.16 116.78 1i4l n TYR 142 Ca -0.18 0.15 -0.04 0.00 -0.01 0.00 0.00 57.90 57.83 1i4l n TYR 142 Cb 0.45 -0.67 -0.03 0.00 -0.02 0.00 0.00 39.34 39.06 1i4l n TYR 142 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1i4l h ARG 143 N 0.00 0.00 0.00 -0.72 2.43 -1.67 -2.72 114.38 111.70 1i4l h ARG 143 Ca 0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1i4l h ARG 143 Cb 0.18 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1i4l h ARG 143 CO 0.00 0.23 -0.51 1.15 -1.51 0.00 0.00 179.97 179.33 1i4l h THR 144 N -1.00 1.28 0.28 0.20 2.02 -1.43 -2.55 112.91 111.71 1i4l h THR 144 Ca -0.01 -1.81 -0.01 0.00 0.77 0.00 0.00 66.41 65.34 1i4l h THR 144 Cb 0.30 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1i4l h THR 144 CO -0.01 0.50 -0.13 0.44 0.37 0.00 0.00 175.52 176.69 1i4l h ASP 145 N 0.00 -0.32 0.00 4.18 3.45 0.34 -3.08 116.42 120.99 1i4l h ASP 145 Ca -0.01 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1i4l h ASP 145 Cb 0.96 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.81 1i4l h ASP 145 CO 0.07 -0.16 0.00 -0.11 -1.57 0.00 0.00 179.24 177.47 1i4l n LEU 146 N -3.41 0.84 0.01 1.55 7.94 -1.02 -3.02 117.00 119.88 1i4l n LEU 146 Ca -0.05 -0.42 -0.21 0.00 -1.11 0.00 0.00 56.01 54.22 1i4l n LEU 146 Cb 0.15 -0.42 -0.14 0.00 0.53 0.00 0.00 43.42 43.54 1i4l n LEU 146 CO 0.11 0.21 -0.37 -0.08 -1.11 0.00 0.00 177.39 176.15 1i4l h GLU 147 N 0.15 0.24 -0.88 1.96 4.57 -1.36 -3.33 114.58 115.93 1i4l h GLU 147 Ca 0.00 -0.40 0.09 0.00 -1.18 0.00 0.00 59.36 57.87 1i4l h GLU 147 Cb 0.42 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.09 1i4l h GLU 147 CO 0.00 1.19 0.53 0.93 -1.18 0.00 0.00 179.01 180.48 1i4l h GLU 148 N -0.34 0.87 -6.10 1.92 3.07 -1.64 -3.33 114.58 109.03 1i4l h GLU 148 Ca -0.29 -0.05 -0.58 0.00 -0.50 0.00 0.00 59.36 57.94 1i4l h GLU 148 Cb 1.72 -0.20 -0.10 0.00 -0.84 0.00 0.00 28.75 29.34 1i4l h GLU 148 CO 0.06 0.58 1.43 -1.17 -1.40 0.00 0.00 179.01 178.50 1i4l s LEU 149 N -10.24 3.46 0.00 1.33 0.20 -1.25 -4.85 118.68 107.33 1i4l s LEU 149 Ca -0.12 -1.35 0.00 0.00 0.69 0.00 0.00 54.13 53.35 1i4l s LEU 149 Cb 0.20 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.39 1i4l s LEU 149 CO 0.79 -1.60 0.00 -1.20 -0.29 0.00 0.00 176.35 174.05 1i4l n SER 150 N 9.24 0.00 -2.66 3.68 7.64 -1.25 -4.96 113.62 125.31 1i4l n SER 150 Ca 0.32 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.20 1i4l n SER 150 Cb 0.51 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1i4l n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i4l n LEU 151 N 0.00 -7.68 0.00 -3.43 4.32 -1.26 -5.08 117.00 103.87 1i4l n LEU 151 Ca 0.00 1.46 0.00 0.00 -0.02 0.00 0.00 56.01 57.45 1i4l n LEU 151 Cb 0.00 -3.27 0.00 0.00 -1.62 0.00 0.00 43.42 38.53 1i4l n LEU 151 CO 0.00 -3.19 0.00 0.61 -1.22 0.00 0.00 177.39 173.59 1i4l n GLY 152 N 0.76 0.74 0.41 -0.72 0.00 -1.26 -5.20 105.19 99.92 1i4l n GLY 152 Ca -0.03 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.22 1i4l n GLY 152 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1i4l h PRO 153 N 0.00 0.00 0.00 1.61 0.11 -2.06 -3.57 132.00 128.10 1i4l h PRO 153 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1i4l h PRO 153 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1i4l h PRO 153 CO 0.00 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 175.66 1i4l n ARG 173 N -4.32 0.00 0.00 1.05 0.63 -1.26 -5.31 116.66 107.45 1i4l n ARG 173 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1i4l n ARG 173 Cb 0.73 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.64 1i4l n ARG 173 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1i4l n ASP 174 N 0.00 0.00 -0.95 6.15 3.85 -1.26 -4.96 116.55 119.38 1i4l n ASP 174 Ca 0.00 -0.10 0.03 0.00 -0.71 0.00 0.00 54.79 54.01 1i4l n ASP 174 Cb 0.00 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 39.91 1i4l n ASP 174 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1i4l n LYS 175 N 0.00 2.32 0.05 0.11 5.02 -1.26 -3.90 118.16 120.51 1i4l n LYS 175 Ca 0.00 -1.10 0.03 0.00 -2.02 0.00 0.00 58.31 55.22 1i4l n LYS 175 Cb 0.02 -1.73 0.40 0.00 -0.02 0.00 0.00 35.03 33.70 1i4l n LYS 175 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1i4l h TYR 176 N 1.42 0.41 0.00 2.13 3.20 -1.92 -1.48 116.97 120.73 1i4l h TYR 176 Ca 0.00 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 1i4l h TYR 176 Cb 0.97 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1i4l h TYR 176 CO 0.37 0.37 -0.89 0.93 -1.64 0.00 0.00 178.16 177.30 1i4l h GLU 177 N 0.40 0.00 -0.96 1.82 3.07 -1.94 -3.22 114.58 113.76 1i4l h GLU 177 Ca 0.10 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.11 1i4l h GLU 177 Cb 0.18 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.99 1i4l h GLU 177 CO -0.00 0.60 0.57 -0.22 -1.40 0.00 0.00 179.01 178.55 1i4l h LYS 178 N 0.00 0.79 -0.17 2.33 3.64 -1.51 0.91 116.57 122.56 1i4l h LYS 178 Ca -0.05 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1i4l h LYS 178 Cb 1.57 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1i4l h LYS 178 CO 0.08 0.52 -0.49 -0.07 -2.27 0.00 0.00 179.45 177.22 1i4l h LEU 179 N 0.81 0.49 -1.95 5.20 3.38 -1.60 -2.39 115.31 119.24 1i4l h LEU 179 Ca 0.51 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.34 1i4l h LEU 179 Cb 0.67 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1i4l h LEU 179 CO -0.33 0.90 0.25 -0.09 0.09 0.00 0.00 178.44 179.26 1i4l h ARG 180 N 0.36 0.05 0.04 1.13 2.43 0.72 -0.41 114.38 118.70 1i4l h ARG 180 Ca 0.02 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1i4l h ARG 180 Cb 0.99 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1i4l h ARG 180 CO 0.09 0.03 -0.02 0.78 -1.51 0.00 0.00 179.97 179.34 1i4l h GLY 181 N 0.05 -0.06 -5.20 2.80 0.00 -0.40 -2.78 103.07 97.49 1i4l h GLY 181 Ca 0.17 0.02 -0.68 0.00 0.00 0.00 0.00 47.33 46.84 1i4l h GLY 181 CO -0.01 -0.02 3.59 1.22 0.00 0.00 0.00 176.54 181.32 1i4l n ASP 182 N -4.83 8.16 0.00 0.19 9.92 -0.18 -0.05 116.55 129.76 1i4l n ASP 182 Ca -0.09 -2.68 0.00 0.00 -0.53 0.00 0.00 54.79 51.50 1i4l n ASP 182 Cb 0.30 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.23 1i4l n ASP 182 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1i4l n VAL 183 N 3.50 0.00 -0.01 2.53 3.14 -1.09 -4.70 118.33 121.69 1i4l n VAL 183 Ca 0.74 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 62.09 1i4l n VAL 183 Cb 0.25 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.02 1i4l n VAL 183 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i4l n ALA 184 N 0.00 2.27 0.20 1.55 0.00 -0.97 -3.12 120.51 120.44 1i4l n ALA 184 Ca 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1i4l n ALA 184 Cb 0.00 0.44 0.13 0.00 0.00 0.00 0.00 19.45 20.03 1i4l n ALA 184 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1i4l h ILE 185 N -0.04 0.00 0.09 0.00 2.04 -0.68 -3.03 117.51 115.89 1i4l h ILE 185 Ca -0.07 -0.99 -0.31 0.00 1.00 0.00 0.00 64.86 64.49 1i4l h ILE 185 Cb 1.09 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 1i4l h ILE 185 CO -0.02 0.00 -1.65 0.50 0.00 0.00 0.00 178.15 176.98 1i4l h LYS 186 N 0.00 0.20 0.00 2.37 3.11 -1.78 -3.39 116.57 117.08 1i4l h LYS 186 Ca 0.00 -0.34 0.00 0.00 -2.81 0.00 0.00 60.65 57.50 1i4l h LYS 186 Cb 1.00 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1i4l h LYS 186 CO 0.00 1.16 0.00 -0.11 -2.81 0.00 0.00 179.45 177.69 1i4l n LEU 187 N -3.84 0.00 -3.58 5.20 0.00 -1.18 -3.71 117.00 109.89 1i4l n LEU 187 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.30 1i4l n LEU 187 Cb 0.92 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 44.29 1i4l n LEU 187 CO 0.37 0.00 2.14 0.29 0.00 0.00 0.00 177.39 180.19 1i4l n LYS 188 N 0.00 1.56 0.00 1.96 5.02 -1.15 -0.31 118.16 125.24 1i4l n LYS 188 Ca 0.00 -1.81 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 1i4l n LYS 188 Cb 0.00 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.14 1i4l n LYS 188 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1i4l n PHE 189 N 7.15 0.00 -0.08 2.13 7.35 -1.24 -4.71 117.46 128.05 1i4l n PHE 189 Ca 0.49 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 57.08 1i4l n PHE 189 Cb 0.38 0.01 -0.10 0.00 0.35 0.00 0.00 39.48 40.11 1i4l n PHE 189 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i4l n LEU 190 N 0.00 1.66 -0.30 -2.13 7.94 0.58 -4.14 117.00 120.61 1i4l n LEU 190 Ca 0.00 -0.06 0.06 0.00 -1.11 0.00 0.00 56.01 54.91 1i4l n LEU 190 Cb 0.05 -0.20 0.27 0.00 0.53 0.00 0.00 43.42 44.07 1i4l n LEU 190 CO 0.00 0.61 1.24 -0.08 -1.11 0.00 0.00 177.39 178.05 1i4l h GLU 191 N 0.00 0.91 -0.60 1.96 4.57 -1.84 0.95 114.58 120.52 1i4l h GLU 191 Ca -0.41 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 57.65 1i4l h GLU 191 Cb 1.76 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 30.12 1i4l h GLU 191 CO -0.03 0.60 0.10 0.93 -1.18 0.00 0.00 179.01 179.43 1i4l h GLU 192 N 0.94 1.00 -0.79 1.92 5.08 -1.88 -1.97 114.58 118.88 1i4l h GLU 192 Ca 0.41 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1i4l h GLU 192 Cb 0.35 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1i4l h GLU 192 CO -0.17 0.94 0.36 -0.97 -1.00 0.00 0.00 179.01 178.16 1i4l h ASN 193 N 0.90 1.05 0.74 1.42 -1.24 -0.49 0.35 115.58 118.31 1i4l h ASN 193 Ca 0.18 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 1i4l h ASN 193 Cb 0.43 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 1i4l h ASN 193 CO 0.01 0.90 -0.46 0.50 -1.29 0.00 0.00 177.43 177.10 1i4l h LYS 194 N 1.13 -1.08 -0.56 6.67 3.64 0.11 -1.19 116.57 125.30 1i4l h LYS 194 Ca 0.27 0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.83 1i4l h LYS 194 Cb 0.15 0.25 -0.11 0.00 -0.41 0.00 0.00 32.23 32.11 1i4l h LYS 194 CO -0.03 -0.72 -0.28 0.82 -2.27 0.00 0.00 179.45 176.97 1i4l h ILE 195 N -1.12 0.24 -0.90 2.00 1.08 -1.11 0.19 117.51 117.88 1i4l h ILE 195 Ca -0.10 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 1i4l h ILE 195 Cb 0.90 0.24 -0.07 0.00 -3.07 0.00 0.00 36.82 34.81 1i4l h ILE 195 CO 0.10 0.00 0.55 0.11 -0.69 0.00 0.00 178.15 178.22 1i4l h LYS 196 N -0.14 0.92 0.09 2.37 1.57 -0.74 -0.92 116.57 119.72 1i4l h LYS 196 Ca 0.24 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1i4l h LYS 196 Cb 0.53 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1i4l h LYS 196 CO -0.64 0.61 -0.04 0.28 -0.57 0.00 0.00 179.45 179.09 1i4l h VAL 197 N 0.95 0.00 -1.00 0.50 2.07 0.07 -3.18 116.25 115.66 1i4l h VAL 197 Ca 0.42 -0.80 0.22 0.00 0.82 0.00 0.00 66.70 67.36 1i4l h VAL 197 Cb 0.31 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.98 1i4l h VAL 197 CO -0.22 0.00 0.62 0.24 0.02 0.00 0.00 177.57 178.23 1i4l h MET 198 N -0.92 0.60 0.50 1.57 2.86 -0.72 0.40 114.93 119.22 1i4l h MET 198 Ca -0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1i4l h MET 198 Cb 0.09 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1i4l h MET 198 CO 0.02 0.40 -0.29 1.25 1.06 0.00 0.00 176.91 179.35 1i4l h HIS 199 N 0.62 -0.75 0.15 -0.22 6.17 -1.30 0.34 115.15 120.16 1i4l h HIS 199 Ca 0.58 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.65 1i4l h HIS 199 Cb 1.11 0.26 0.00 0.00 2.52 0.00 0.00 27.41 31.31 1i4l h HIS 199 CO -0.00 -0.45 -0.07 -0.22 0.71 0.00 0.00 177.93 177.89 1i4l h LYS 200 N -0.74 -0.20 -0.17 5.26 3.64 -1.17 -2.41 116.57 120.78 1i4l h LYS 200 Ca -0.06 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1i4l h LYS 200 Cb 0.60 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1i4l h LYS 200 CO 0.08 -0.02 0.00 1.96 -2.27 0.00 0.00 179.45 179.19 1i4l h GLN 201 N -0.33 0.05 -0.02 1.90 1.08 -0.25 -0.51 115.11 117.03 1i4l h GLN 201 Ca -0.02 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1i4l h GLN 201 Cb 0.26 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1i4l h GLN 201 CO 0.03 0.04 0.02 -0.07 -0.95 0.00 0.00 178.83 177.90 1i4l h LEU 202 N 0.06 0.00 0.20 1.46 4.07 -0.29 -1.32 115.31 119.48 1i4l h LEU 202 Ca 0.08 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.71 1i4l h LEU 202 Cb 0.09 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.85 1i4l h LEU 202 CO -0.13 0.00 -1.55 0.25 -1.08 0.00 0.00 178.44 175.93 1i4l h LEU 203 N 0.00 0.66 0.01 1.67 6.46 -0.82 -2.87 115.31 120.42 1i4l h LEU 203 Ca 0.01 -0.93 -0.00 0.00 -0.12 0.00 0.00 57.88 56.84 1i4l h LEU 203 Cb 0.05 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1i4l h LEU 203 CO -0.00 1.72 -0.00 -0.07 -0.62 0.00 0.00 178.44 179.46 1i4l h LEU 204 N 0.03 -0.01 0.05 2.25 3.38 -0.75 0.32 115.31 120.58 1i4l h LEU 204 Ca -0.30 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1i4l h LEU 204 Cb 2.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.75 1i4l h LEU 204 CO 0.19 0.11 -0.47 0.15 0.09 0.00 0.00 178.44 178.51 1i4l h PHE 205 N -0.13 -1.38 -0.59 1.13 3.57 -1.38 0.57 116.94 118.74 1i4l h PHE 205 Ca -0.00 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1i4l h PHE 205 Cb 0.12 0.59 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1i4l h PHE 205 CO -0.04 -0.52 0.28 1.25 -2.23 0.00 0.00 178.31 177.06 1i4l h HIS 206 N -0.63 0.51 -0.69 0.41 2.76 -1.46 0.53 115.15 116.57 1i4l h HIS 206 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1i4l h HIS 206 Cb 0.65 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1i4l h HIS 206 CO -0.47 0.21 0.40 -0.91 -1.30 0.00 0.00 177.93 175.85 1i4l h ASN 207 N 0.52 0.85 0.35 3.26 2.35 -0.33 0.28 115.58 122.86 1i4l h ASN 207 Ca 0.28 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1i4l h ASN 207 Cb 0.25 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1i4l h ASN 207 CO -0.22 0.69 -0.30 0.00 -1.65 0.00 0.00 177.43 175.95 1i4l h ALA 208 N 1.20 -0.66 -0.35 -0.83 0.00 0.14 0.56 119.26 119.31 1i4l h ALA 208 Ca 0.25 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1i4l h ALA 208 Cb 0.01 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1i4l h ALA 208 CO -0.04 -0.90 0.01 0.28 0.00 0.00 0.00 179.25 178.60 1i4l h VAL 209 N -0.66 0.76 0.56 0.00 2.07 -0.66 0.69 116.25 119.01 1i4l h VAL 209 Ca -0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1i4l h VAL 209 Cb 0.59 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1i4l h VAL 209 CO -0.03 0.02 -0.50 -1.28 0.02 0.00 0.00 177.57 175.80 1i4l h SER 210 N 0.11 -1.34 -1.12 0.57 0.87 -0.56 -1.97 113.55 110.12 1i4l h SER 210 Ca 0.17 0.10 0.34 0.00 -1.23 0.00 0.00 61.79 61.17 1i4l h SER 210 Cb 0.22 0.43 -0.13 0.00 -0.44 0.00 0.00 62.40 62.49 1i4l h SER 210 CO -0.27 -0.68 0.69 0.00 -0.53 0.00 0.00 176.83 176.03 1i4l h ALA 211 N -0.90 2.29 0.08 6.23 0.00 0.55 -0.16 119.26 127.34 1i4l h ALA 211 Ca -0.07 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1i4l h ALA 211 Cb 0.89 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1i4l h ALA 211 CO -0.03 -0.85 -0.35 -0.92 0.00 0.00 0.00 179.25 177.10 1i4l h TYR 212 N 0.26 -1.02 -0.23 0.00 3.20 -0.07 0.46 116.97 119.56 1i4l h TYR 212 Ca 0.73 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.60 1i4l h TYR 212 Cb 1.93 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 40.62 1i4l h TYR 212 CO -0.01 -0.40 0.03 0.74 -1.64 0.00 0.00 178.16 176.88 1i4l h PHE 213 N -0.50 0.33 0.20 -3.82 -1.00 -0.94 -0.15 116.94 111.06 1i4l h PHE 213 Ca -0.00 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1i4l h PHE 213 Cb 0.50 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.96 1i4l h PHE 213 CO -0.40 0.32 -0.10 0.00 -1.61 0.00 0.00 178.31 176.53 1i4l h ALA 214 N 1.71 -0.27 -0.91 2.45 0.00 -1.06 0.31 119.26 121.50 1i4l h ALA 214 Ca 0.08 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1i4l h ALA 214 Cb 0.18 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1i4l h ALA 214 CO 0.00 -0.41 0.58 0.78 0.00 0.00 0.00 179.25 180.21 1i4l h GLY 215 N -0.75 1.30 0.56 0.00 0.00 0.16 0.14 103.07 104.48 1i4l h GLY 215 Ca -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1i4l h GLY 215 CO 0.04 0.12 -0.27 3.43 0.00 0.00 0.00 176.54 179.86 1i4l h ASN 216 N 0.77 -0.64 -0.75 0.19 2.35 -0.91 -3.04 115.58 113.55 1i4l h ASN 216 Ca 0.45 0.02 0.20 0.00 -0.55 0.00 0.00 56.30 56.42 1i4l h ASN 216 Cb 0.64 0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.13 1i4l h ASN 216 CO -0.21 -0.26 0.53 -0.61 -1.65 0.00 0.00 177.43 175.22 1i4l h GLN 217 N -1.14 0.14 0.00 0.81 4.15 0.10 0.15 115.11 119.32 1i4l h GLN 217 Ca -0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1i4l h GLN 217 Cb 0.58 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1i4l h GLN 217 CO 0.13 0.09 0.00 1.17 -1.93 0.00 0.00 178.83 178.29 1i4l n LYS 218 N -4.38 0.00 0.15 1.69 4.81 0.46 -2.96 118.16 117.93 1i4l n LYS 218 Ca 0.15 0.39 0.18 0.00 -0.87 0.00 0.00 58.31 58.16 1i4l n LYS 218 Cb 0.73 -1.20 0.78 0.00 0.02 0.00 0.00 35.03 35.36 1i4l n LYS 218 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1i4l h GLN 219 N 0.00 0.00 0.00 1.64 4.20 -1.48 0.35 115.11 119.82 1i4l h GLN 219 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1i4l h GLN 219 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1i4l h GLN 219 CO 0.00 0.00 -0.06 1.25 -0.67 0.00 0.00 178.83 179.35 1i4l h LEU 220 N 0.00 0.00 -2.75 1.46 5.85 -1.01 -0.03 115.31 118.84 1i4l h LEU 220 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1i4l h LEU 220 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1i4l h LEU 220 CO -0.00 0.06 0.00 -0.62 -0.34 0.00 0.00 178.44 177.54 1i4l n GLU 221 N -3.30 2.73 -1.40 1.25 1.02 0.12 -4.42 120.64 116.66 1i4l n GLU 221 Ca -0.01 -2.53 -0.31 0.00 -0.02 0.00 0.00 57.16 54.29 1i4l n GLU 221 Cb 0.24 -1.51 0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1i4l n GLU 221 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1i4l n GLN 222 N 1.44 2.47 0.00 3.49 -0.06 -0.02 -5.09 117.38 119.61 1i4l n GLN 222 Ca 0.22 -2.84 0.00 0.00 -2.00 0.00 0.00 57.00 52.38 1i4l n GLN 222 Cb 0.59 -2.12 0.00 0.00 -4.06 0.00 0.00 30.24 24.65 1i4l n GLN 222 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27