#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5b h LYS 3 N 0.00 0.00 -0.06 1.43 1.63 -2.06 -2.15 116.57 115.36 3k5b h LYS 3 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3k5b h LYS 3 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3k5b h LYS 3 CO 0.00 0.23 0.02 -0.07 -3.45 0.00 0.00 179.45 176.18 3k5b h LEU 4 N 0.00 0.08 -0.71 5.20 4.07 -2.06 -2.59 115.31 119.30 3k5b h LEU 4 Ca -0.00 -0.22 -0.08 0.00 0.08 0.00 0.00 57.88 57.66 3k5b h LEU 4 Cb 0.54 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 3k5b h LEU 4 CO 0.03 0.28 -0.37 1.05 -1.08 0.00 0.00 178.44 178.35 3k5b h GLU 5 N -0.11 0.00 -0.88 1.13 4.11 -1.98 -2.88 114.58 113.96 3k5b h GLU 5 Ca 0.02 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.59 3k5b h GLU 5 Cb 0.23 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 3k5b h GLU 5 CO -0.00 0.37 0.48 0.00 0.07 0.00 0.00 179.01 179.94 3k5b h ALA 6 N 1.63 1.35 -0.11 1.06 0.00 -1.12 0.34 119.26 122.41 3k5b h ALA 6 Ca -0.00 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3k5b h ALA 6 Cb 1.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3k5b h ALA 6 CO 0.05 -0.04 -0.48 0.82 0.00 0.00 0.00 179.25 179.60 3k5b h ILE 7 N 0.70 1.34 -0.32 0.00 1.08 -1.26 -1.73 117.51 117.32 3k5b h ILE 7 Ca 0.48 -1.70 -0.11 0.00 -0.39 0.00 0.00 64.86 63.14 3k5b h ILE 7 Cb 0.64 1.79 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 3k5b h ILE 7 CO -0.35 0.51 -0.24 0.25 -0.69 0.00 0.00 178.15 177.63 3k5b h LEU 8 N 0.22 0.63 0.52 1.44 5.85 -0.95 -1.89 115.31 121.13 3k5b h LEU 8 Ca 0.01 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3k5b h LEU 8 Cb 0.93 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.80 3k5b h LEU 8 CO 0.08 0.86 -0.25 0.28 -0.34 0.00 0.00 178.44 179.07 3k5b h SER 9 N 0.55 -0.59 -0.95 1.25 0.02 -0.20 -1.31 113.55 112.31 3k5b h SER 9 Ca 0.08 0.02 0.21 0.00 -0.84 0.00 0.00 61.79 61.25 3k5b h SER 9 Cb 0.71 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.32 3k5b h SER 9 CO 0.05 -0.40 0.61 0.06 -1.14 0.00 0.00 176.83 176.02 3k5b h GLN 10 N -0.76 0.50 0.33 3.45 -0.00 -1.33 0.44 115.11 117.74 3k5b h GLN 10 Ca -0.07 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.53 3k5b h GLN 10 Cb 0.54 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 3k5b h GLN 10 CO 0.12 0.33 -0.16 0.93 -0.00 0.00 0.00 178.83 180.05 3k5b h GLU 11 N 0.52 -0.43 -0.49 0.06 4.39 -1.35 0.20 114.58 117.49 3k5b h GLU 11 Ca 0.52 0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.26 3k5b h GLU 11 Cb 1.13 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 3k5b h GLU 11 CO -0.25 -0.10 0.31 0.28 -1.16 0.00 0.00 179.01 178.08 3k5b h VAL 12 N -0.82 1.09 -0.93 3.13 2.07 -0.06 -0.16 116.25 120.57 3k5b h VAL 12 Ca -0.05 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3k5b h VAL 12 Cb 0.52 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3k5b h VAL 12 CO 0.07 0.11 0.58 -0.08 0.02 0.00 0.00 177.57 178.28 3k5b h GLU 13 N 0.62 1.26 0.00 1.57 4.57 -0.22 -0.71 114.58 121.67 3k5b h GLU 13 Ca 0.19 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3k5b h GLU 13 Cb -0.04 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.28 3k5b h GLU 13 CO -0.06 0.87 -0.18 0.00 -1.18 0.00 0.00 179.01 178.45 3k5b h ALA 14 N 1.32 1.34 -0.28 2.92 0.00 0.06 -1.35 119.26 123.27 3k5b h ALA 14 Ca 0.34 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 3k5b h ALA 14 Cb -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3k5b h ALA 14 CO -0.07 0.23 -0.54 1.49 0.00 0.00 0.00 179.25 180.36 3k5b h GLU 15 N 0.00 0.83 -0.52 0.00 4.57 0.18 -3.17 114.58 116.47 3k5b h GLU 15 Ca -0.00 -0.52 0.07 0.00 -1.18 0.00 0.00 59.36 57.73 3k5b h GLU 15 Cb 0.43 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.02 3k5b h GLU 15 CO 0.02 1.16 0.19 0.82 -1.18 0.00 0.00 179.01 180.02 3k5b h ILE 16 N 0.64 0.82 0.00 2.32 2.04 -0.09 -1.78 117.51 121.46 3k5b h ILE 16 Ca 0.02 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3k5b h ILE 16 Cb 1.14 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3k5b h ILE 16 CO 0.12 0.07 -0.01 -0.61 0.00 0.00 0.00 178.15 177.72 3k5b h GLN 17 N 0.37 0.00 0.01 2.37 5.75 -1.36 -1.92 115.11 120.33 3k5b h GLN 17 Ca 0.25 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.45 3k5b h GLN 17 Cb 0.28 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 3k5b h GLN 17 CO -0.26 0.01 -1.76 0.00 -2.65 0.00 0.00 178.83 174.17 3k5b n ALA 18 N -2.12 1.43 -0.07 3.38 0.00 -0.73 -3.48 120.51 118.92 3k5b n ALA 18 Ca -0.02 -0.77 -0.11 0.00 0.00 0.00 0.00 53.44 52.54 3k5b n ALA 18 Cb 0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 3k5b n ALA 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3k5b h LEU 19 N 0.01 0.36 -0.59 0.00 3.38 -0.70 -1.65 115.31 116.12 3k5b h LEU 19 Ca -0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 3k5b h LEU 19 Cb 2.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 3k5b h LEU 19 CO 0.08 0.52 0.31 -0.07 0.09 0.00 0.00 178.44 179.37 3k5b h LEU 20 N 0.18 0.75 -0.92 1.67 3.38 -1.62 -1.52 115.31 117.23 3k5b h LEU 20 Ca 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3k5b h LEU 20 Cb 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3k5b h LEU 20 CO 0.00 0.64 0.13 1.56 0.09 0.00 0.00 178.44 180.87 3k5b h GLN 21 N 0.80 0.93 -0.50 1.13 4.20 -1.59 -1.02 115.11 119.07 3k5b h GLN 21 Ca 0.21 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.76 3k5b h GLN 21 Cb 0.07 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3k5b h GLN 21 CO -0.03 0.84 0.24 1.49 -0.67 0.00 0.00 178.83 180.70 3k5b h GLU 22 N 0.89 0.46 -0.34 1.46 4.81 -0.84 -2.53 114.58 118.49 3k5b h GLU 22 Ca 0.19 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3k5b h GLU 22 Cb 0.34 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3k5b h GLU 22 CO 0.00 0.30 0.20 0.00 -0.73 0.00 0.00 179.01 178.79 3k5b h ALA 23 N 1.28 0.43 -0.11 2.92 0.00 -0.75 -1.67 119.26 121.35 3k5b h ALA 23 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3k5b h ALA 23 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3k5b h ALA 23 CO -0.16 -0.07 -0.02 1.49 0.00 0.00 0.00 179.25 180.49 3k5b h GLU 24 N 0.43 0.02 -0.58 0.00 4.57 -0.93 0.45 114.58 118.55 3k5b h GLU 24 Ca 0.12 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 3k5b h GLU 24 Cb 0.01 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3k5b h GLU 24 CO -0.02 0.01 0.01 0.00 -1.18 0.00 0.00 179.01 177.83 3k5b h ALA 25 N 1.10 0.93 0.00 2.92 0.00 -1.47 0.26 119.26 123.00 3k5b h ALA 25 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3k5b h ALA 25 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3k5b h ALA 25 CO -0.10 0.64 0.00 0.87 0.00 0.00 0.00 179.25 180.66 3k5b h LYS 26 N 0.91 0.00 0.06 0.00 6.56 -0.65 -1.70 116.57 121.75 3k5b h LYS 26 Ca 0.17 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.59 3k5b h LYS 26 Cb 0.52 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.17 3k5b h LYS 26 CO 0.03 0.00 -0.87 0.00 -2.06 0.00 0.00 179.45 176.54 3k5b h ALA 27 N 2.00 0.10 -0.94 3.86 0.00 0.41 -3.27 119.26 121.42 3k5b h ALA 27 Ca 0.00 -0.88 0.09 0.00 0.00 0.00 0.00 54.91 54.12 3k5b h ALA 27 Cb 0.46 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3k5b h ALA 27 CO 0.00 0.49 0.60 1.49 0.00 0.00 0.00 179.25 181.83 3k5b h GLU 28 N -0.68 0.94 -0.26 0.00 4.57 -0.31 0.24 114.58 119.09 3k5b h GLU 28 Ca -0.20 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 57.82 3k5b h GLU 28 Cb 1.41 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3k5b h GLU 28 CO -0.01 0.62 -0.26 0.00 -1.18 0.00 0.00 179.01 178.18 3k5b h ALA 29 N 1.53 1.07 0.14 2.92 0.00 -1.49 0.19 119.26 123.62 3k5b h ALA 29 Ca 0.43 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3k5b h ALA 29 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3k5b h ALA 29 CO -0.19 0.57 -0.07 0.28 0.00 0.00 0.00 179.25 179.84 3k5b h VAL 30 N 0.44 0.98 -0.73 0.00 2.07 -1.00 0.40 116.25 118.40 3k5b h VAL 30 Ca 0.06 -0.48 0.14 0.00 0.82 0.00 0.00 66.70 67.24 3k5b h VAL 30 Cb 0.69 1.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.65 3k5b h VAL 30 CO 0.05 0.11 0.28 0.11 0.02 0.00 0.00 177.57 178.15 3k5b h LYS 31 N -0.41 0.42 0.00 1.57 1.57 -0.45 -1.70 116.57 117.57 3k5b h LYS 31 Ca -0.02 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 3k5b h LYS 31 Cb 0.33 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3k5b h LYS 31 CO 0.03 0.28 -0.45 -0.09 -0.57 0.00 0.00 179.45 178.65 3k5b h ARG 32 N 0.43 0.00 -0.79 3.15 2.43 -0.86 -2.72 114.38 116.02 3k5b h ARG 32 Ca 0.40 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.58 3k5b h ARG 32 Cb 0.60 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3k5b h ARG 32 CO -0.40 0.45 0.52 1.49 -1.51 0.00 0.00 179.97 180.52 3k5b h GLU 33 N 0.00 1.05 0.44 0.20 4.81 0.70 -2.83 114.58 118.96 3k5b h GLU 33 Ca -0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3k5b h GLU 33 Cb 1.30 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3k5b h GLU 33 CO 0.06 0.70 -0.21 0.00 -0.73 0.00 0.00 179.01 178.82 3k5b h ALA 34 N 1.29 -0.59 -0.97 2.92 0.00 -1.35 -0.53 119.26 120.02 3k5b h ALA 34 Ca 0.29 -0.19 0.31 0.00 0.00 0.00 0.00 54.91 55.32 3k5b h ALA 34 Cb -0.12 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 17.73 3k5b h ALA 34 CO -0.06 -0.66 0.27 0.93 0.00 0.00 0.00 179.25 179.72 3k5b h GLU 35 N -0.94 0.07 -0.02 0.00 5.08 -1.45 0.55 114.58 117.87 3k5b h GLU 35 Ca -0.06 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3k5b h GLU 35 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3k5b h GLU 35 CO 0.10 0.05 -0.13 0.93 -1.00 0.00 0.00 179.01 178.96 3k5b h GLU 36 N 0.07 0.12 -0.68 2.33 3.07 -1.53 -2.92 114.58 115.05 3k5b h GLU 36 Ca 0.67 -0.10 0.14 0.00 -0.50 0.00 0.00 59.36 59.58 3k5b h GLU 36 Cb 1.54 0.02 -0.11 0.00 -0.84 0.00 0.00 28.75 29.37 3k5b h GLU 36 CO -0.80 0.79 0.10 0.87 -1.40 0.00 0.00 179.01 178.58 3k5b h LYS 37 N -0.53 0.20 -0.21 2.33 6.56 0.16 0.17 116.57 125.26 3k5b h LYS 37 Ca -0.01 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.50 3k5b h LYS 37 Cb 0.83 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.44 3k5b h LYS 37 CO 0.03 0.13 -0.12 0.00 -2.06 0.00 0.00 179.45 177.43 3k5b h ALA 38 N 1.58 0.30 -0.80 3.86 0.00 -0.80 -2.95 119.26 120.46 3k5b h ALA 38 Ca 0.37 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 55.07 3k5b h ALA 38 Cb 0.62 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3k5b h ALA 38 CO -0.51 0.15 0.52 -0.22 0.00 0.00 0.00 179.25 179.19 3k5b h LYS 39 N 0.15 0.73 0.00 0.00 3.64 -1.11 -1.86 116.57 118.12 3k5b h LYS 39 Ca 0.04 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3k5b h LYS 39 Cb 0.62 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3k5b h LYS 39 CO 0.03 0.48 -0.13 0.00 -2.27 0.00 0.00 179.45 177.57 3k5b h ALA 40 N 1.59 0.92 0.06 5.00 0.00 -0.61 -2.68 119.26 123.54 3k5b h ALA 40 Ca 0.36 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.88 3k5b h ALA 40 Cb 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3k5b h ALA 40 CO -0.14 0.16 -1.54 1.37 0.00 0.00 0.00 179.25 179.10 3k5b h LEU 41 N 0.00 0.18 -1.06 0.00 -0.00 -1.30 -3.21 115.31 109.92 3k5b h LEU 41 Ca -0.00 -0.70 -0.07 0.00 -0.00 0.00 0.00 57.88 57.11 3k5b h LEU 41 Cb 1.05 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.63 3k5b h LEU 41 CO 0.02 1.64 -0.05 0.25 -0.00 0.00 0.00 178.44 180.29 3k5b h LEU 42 N -0.56 0.58 -0.50 0.17 6.46 -1.45 0.57 115.31 120.58 3k5b h LEU 42 Ca -0.37 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.28 3k5b h LEU 42 Cb 1.61 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 41.34 3k5b h LEU 42 CO -0.08 0.69 0.28 1.56 -0.62 0.00 0.00 178.44 180.26 3k5b h GLN 43 N 0.57 0.53 0.00 1.25 4.20 -1.66 0.44 115.11 120.43 3k5b h GLN 43 Ca 0.11 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3k5b h GLN 43 Cb 0.44 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3k5b h GLN 43 CO 0.02 0.35 -0.34 0.00 -0.67 0.00 0.00 178.83 178.19 3k5b h ALA 44 N 1.25 1.28 0.00 3.87 0.00 -0.95 -1.85 119.26 122.86 3k5b h ALA 44 Ca 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k5b h ALA 44 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k5b h ALA 44 CO -0.12 0.43 -0.76 0.00 0.00 0.00 0.00 179.25 178.79 3k5b h ARG 45 N 0.00 0.00 -0.15 0.00 3.08 0.21 -2.92 114.38 114.60 3k5b h ARG 45 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3k5b h ARG 45 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3k5b h ARG 45 CO 0.04 0.00 -0.39 1.49 -1.07 0.00 0.00 179.97 180.04 3k5b h GLU 46 N 0.00 0.52 0.28 0.04 4.81 -0.64 -3.10 114.58 116.49 3k5b h GLU 46 Ca 0.00 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3k5b h GLU 46 Cb 0.77 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 3k5b h GLU 46 CO 0.00 0.98 -0.45 0.00 -0.73 0.00 0.00 179.01 178.81 3k5b h ARG 47 N 0.15 -0.75 -0.83 1.92 3.08 -1.38 -1.03 114.38 115.54 3k5b h ARG 47 Ca -0.01 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.19 3k5b h ARG 47 Cb 1.01 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 3k5b h ARG 47 CO 0.08 -0.50 0.54 0.00 -1.07 0.00 0.00 179.97 179.03 3k5b h ALA 48 N -0.85 1.73 -0.20 0.04 0.00 -1.64 0.10 119.26 118.44 3k5b h ALA 48 Ca -0.03 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3k5b h ALA 48 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3k5b h ALA 48 CO -0.15 0.09 -0.51 -0.07 0.00 0.00 0.00 179.25 178.62 3k5b h LEU 49 N 0.77 0.60 -0.78 0.00 3.38 -1.43 -1.26 115.31 116.59 3k5b h LEU 49 Ca 0.39 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3k5b h LEU 49 Cb 0.46 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3k5b h LEU 49 CO -0.16 1.00 0.37 -0.08 0.09 0.00 0.00 178.44 179.67 3k5b h GLU 50 N 0.43 1.12 -0.53 1.13 4.22 0.38 -0.56 114.58 120.77 3k5b h GLU 50 Ca 0.02 -0.16 -0.08 0.00 0.08 0.00 0.00 59.36 59.21 3k5b h GLU 50 Cb 1.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 3k5b h GLU 50 CO 0.10 0.87 0.00 0.00 -2.18 0.00 0.00 179.01 177.80 3k5b h ALA 51 N 1.19 0.71 0.00 2.92 0.00 -1.42 -2.49 119.26 120.17 3k5b h ALA 51 Ca 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k5b h ALA 51 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k5b h ALA 51 CO -0.03 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3k5b n GLN 52 N -4.29 0.20 0.05 0.00 -0.00 -0.27 -2.26 117.38 110.80 3k5b n GLN 52 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 3k5b n GLN 52 Cb 0.32 -1.04 0.00 0.00 -0.00 0.00 0.00 30.24 29.52 3k5b n GLN 52 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 3k5b n TYR 53 N -0.16 -0.32 0.01 2.61 9.36 -0.86 -4.58 117.16 123.22 3k5b n TYR 53 Ca 0.00 0.06 -0.12 0.00 3.32 0.00 0.00 57.90 61.15 3k5b n TYR 53 Cb 0.02 0.10 -0.09 0.00 -0.63 0.00 0.00 39.34 38.74 3k5b n TYR 53 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3k5b h ARG 54 N 0.00 0.01 0.00 2.98 2.47 -1.42 0.24 114.38 118.66 3k5b h ARG 54 Ca 0.00 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3k5b h ARG 54 Cb 0.00 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3k5b h ARG 54 CO 0.00 0.27 -0.14 0.00 0.56 0.00 0.00 179.97 180.66 3k5b h ALA 55 N 0.73 1.66 -0.21 0.04 0.00 -1.71 0.83 119.26 120.60 3k5b h ALA 55 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3k5b h ALA 55 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k5b h ALA 55 CO 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 179.25 179.32 3k5b h ALA 56 N 1.86 0.30 -0.04 0.00 0.00 -1.63 -2.97 119.26 116.78 3k5b h ALA 56 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3k5b h ALA 56 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3k5b h ALA 56 CO 0.02 0.14 -0.27 -0.07 0.00 0.00 0.00 179.25 179.07 3k5b h LEU 57 N 0.15 0.06 0.06 0.00 -0.00 0.96 -1.46 115.31 115.08 3k5b h LEU 57 Ca 0.05 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3k5b h LEU 57 Cb 0.60 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 3k5b h LEU 57 CO 0.03 0.33 -0.03 -0.09 -0.00 0.00 0.00 178.44 178.68 3k5b h ARG 58 N 0.06 -0.08 0.00 1.13 2.43 0.61 0.33 114.38 118.85 3k5b h ARG 58 Ca 0.01 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3k5b h ARG 58 Cb 0.51 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3k5b h ARG 58 CO 0.04 0.07 -0.14 0.00 -1.51 0.00 0.00 179.97 178.43 3k5b h ARG 59 N -0.23 0.00 -0.04 0.20 3.08 -1.34 0.55 114.38 116.61 3k5b h ARG 59 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3k5b h ARG 59 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3k5b h ARG 59 CO 0.01 0.14 -0.27 0.00 -1.07 0.00 0.00 179.97 178.79 3k5b h ALA 60 N 1.86 0.09 -0.72 0.04 0.00 -0.99 -2.55 119.26 116.99 3k5b h ALA 60 Ca -0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 3k5b h ALA 60 Cb 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3k5b h ALA 60 CO 0.02 0.12 0.19 1.05 0.00 0.00 0.00 179.25 180.63 3k5b h GLU 61 N -0.29 1.13 0.00 0.00 -0.00 0.38 -1.95 114.58 113.86 3k5b h GLU 61 Ca -0.02 -0.26 -0.04 0.00 -0.00 0.00 0.00 59.36 59.03 3k5b h GLU 61 Cb 0.95 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 29.54 3k5b h GLU 61 CO 0.06 0.99 -0.19 0.66 -0.00 0.00 0.00 179.01 180.52 3k5b h SER 62 N 1.07 0.00 0.00 3.06 4.64 -0.02 -2.93 113.55 119.38 3k5b h SER 62 Ca 0.23 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3k5b h SER 62 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3k5b h SER 62 CO -0.00 0.19 -0.00 0.00 -0.87 0.00 0.00 176.83 176.15 3k5b h ALA 63 N 1.81 -0.00 -0.99 5.18 0.00 -0.93 -3.15 119.26 121.17 3k5b h ALA 63 Ca -0.00 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.76 3k5b h ALA 63 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 3k5b h ALA 63 CO 0.03 -0.25 0.63 0.78 0.00 0.00 0.00 179.25 180.44 3k5b h GLY 64 N -0.51 1.56 1.64 0.00 0.00 -1.22 -0.15 103.07 104.40 3k5b h GLY 64 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 3k5b h GLY 64 CO 0.00 0.20 -0.16 0.83 0.00 0.00 0.00 176.54 177.41 3k5b h GLU 65 N 1.01 0.43 -0.03 4.80 4.39 -1.60 0.52 114.58 124.10 3k5b h GLU 65 Ca 0.47 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.91 3k5b h GLU 65 Cb 0.43 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3k5b h GLU 65 CO -0.23 0.58 -0.62 1.25 -1.16 0.00 0.00 179.01 178.83 3k5b h LEU 66 N 0.40 0.11 -0.25 1.33 7.12 -1.04 0.24 115.31 123.22 3k5b h LEU 66 Ca 0.07 -0.06 -0.21 0.00 0.13 0.00 0.00 57.88 57.81 3k5b h LEU 66 Cb 0.51 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 3k5b h LEU 66 CO 0.03 0.70 -0.83 0.25 -0.13 0.00 0.00 178.44 178.46 3k5b h LEU 67 N 0.07 0.65 -0.38 2.25 6.46 -0.71 -1.60 115.31 122.05 3k5b h LEU 67 Ca -0.01 -0.46 -0.14 0.00 -0.12 0.00 0.00 57.88 57.15 3k5b h LEU 67 Cb 1.10 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 3k5b h LEU 67 CO 0.09 1.23 -0.32 0.58 -0.62 0.00 0.00 178.44 179.39 3k5b h VAL 68 N 0.34 1.28 -0.29 1.05 2.07 -0.80 -0.45 116.25 119.45 3k5b h VAL 68 Ca -0.06 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 3k5b h VAL 68 Cb 1.44 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3k5b h VAL 68 CO 0.15 0.50 0.09 0.00 0.02 0.00 0.00 177.57 178.33 3k5b h ALA 69 N 0.77 0.38 0.44 1.67 0.00 -0.54 -0.83 119.26 121.15 3k5b h ALA 69 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3k5b h ALA 69 Cb 0.91 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3k5b h ALA 69 CO 0.08 0.01 -0.21 1.79 0.00 0.00 0.00 179.25 180.92 3k5b h THR 70 N 0.31 0.57 -0.96 0.00 1.35 -1.33 -1.04 112.91 111.80 3k5b h THR 70 Ca 0.09 -0.12 0.17 0.00 -0.55 0.00 0.00 66.41 66.01 3k5b h THR 70 Cb 0.24 0.63 -0.17 0.00 -1.73 0.00 0.00 68.15 67.12 3k5b h THR 70 CO -0.00 0.02 -0.31 0.00 -0.25 0.00 0.00 175.52 174.98 3k5b h ALA 71 N -0.12 0.39 -0.04 6.62 0.00 -0.93 1.26 119.26 126.43 3k5b h ALA 71 Ca -0.06 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3k5b h ALA 71 Cb 0.49 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3k5b h ALA 71 CO 0.10 -0.51 0.02 0.00 0.00 0.00 0.00 179.25 178.86 3k5b h ARG 72 N -0.01 0.05 -0.52 0.00 3.08 -1.01 -1.48 114.38 114.50 3k5b h ARG 72 Ca 0.40 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.42 3k5b h ARG 72 Cb 0.65 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3k5b h ARG 72 CO -0.97 0.19 0.23 1.15 -1.07 0.00 0.00 179.97 179.49 3k5b h THR 73 N -0.09 1.18 -0.58 2.04 2.02 0.52 -0.92 112.91 117.08 3k5b h THR 73 Ca 0.01 -0.54 0.03 0.00 0.77 0.00 0.00 66.41 66.69 3k5b h THR 73 Cb 0.15 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3k5b h THR 73 CO -0.00 0.22 0.34 1.56 0.37 0.00 0.00 175.52 178.00 3k5b h GLN 74 N 0.73 0.64 -0.47 6.66 7.50 0.17 -2.77 115.11 127.57 3k5b h GLN 74 Ca 0.18 -0.04 -0.10 0.00 0.50 0.00 0.00 58.65 59.20 3k5b h GLN 74 Cb 0.11 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.48 3k5b h GLN 74 CO -0.02 0.42 -0.08 0.00 -1.50 0.00 0.00 178.83 177.65 3k5b h ALA 75 N 1.27 0.64 0.00 3.87 0.00 -0.13 -2.99 119.26 121.92 3k5b h ALA 75 Ca 0.24 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3k5b h ALA 75 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3k5b h ALA 75 CO -0.12 0.52 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 3k5b h ARG 76 N 0.73 0.00 -0.12 0.00 3.08 -1.12 -2.65 114.38 114.31 3k5b h ARG 76 Ca 0.12 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 3k5b h ARG 76 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3k5b h ARG 76 CO 0.04 0.18 -0.34 0.78 -1.07 0.00 0.00 179.97 179.56 3k5b h GLY 77 N 0.87 0.49 0.62 0.04 0.00 -1.36 0.13 103.07 103.86 3k5b h GLY 77 Ca -0.00 -0.62 0.16 0.00 0.00 0.00 0.00 47.33 46.87 3k5b h GLY 77 CO 0.02 0.55 0.52 0.83 0.00 0.00 0.00 176.54 178.47 3k5b h GLU 78 N 0.03 0.40 0.07 4.80 5.08 -1.37 -0.58 114.58 123.01 3k5b h GLU 78 Ca -0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3k5b h GLU 78 Cb 0.95 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3k5b h GLU 78 CO 0.07 0.26 -0.03 0.28 -1.00 0.00 0.00 179.01 178.59 3k5b h VAL 79 N 0.41 0.29 -0.66 3.13 2.07 -1.37 -3.27 116.25 116.85 3k5b h VAL 79 Ca 0.38 -1.12 0.09 0.00 0.82 0.00 0.00 66.70 66.88 3k5b h VAL 79 Cb 0.90 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3k5b h VAL 79 CO -0.13 0.09 0.44 -0.07 0.02 0.00 0.00 177.57 177.93 3k5b h LEU 80 N -1.01 0.47 -0.80 2.57 3.38 -0.54 0.94 115.31 120.31 3k5b h LEU 80 Ca -0.01 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3k5b h LEU 80 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3k5b h LEU 80 CO 0.02 0.28 -0.39 -0.08 0.09 0.00 0.00 178.44 178.36 3k5b h GLU 81 N 0.52 0.44 -0.04 1.13 4.81 -1.28 -2.56 114.58 117.60 3k5b h GLU 81 Ca 0.30 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3k5b h GLU 81 Cb 0.49 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3k5b h GLU 81 CO -0.10 0.76 0.02 1.49 -0.73 0.00 0.00 179.01 180.45 3k5b h GLU 82 N 0.36 0.05 -0.53 1.92 4.57 -0.88 -0.37 114.58 119.70 3k5b h GLU 82 Ca 0.04 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.30 3k5b h GLU 82 Cb 0.84 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 3k5b h GLU 82 CO 0.07 0.14 0.36 0.28 -1.18 0.00 0.00 179.01 178.68 3k5b h VAL 83 N -0.05 0.89 -0.19 0.32 2.07 -1.40 -0.83 116.25 117.06 3k5b h VAL 83 Ca 0.01 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3k5b h VAL 83 Cb 0.10 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3k5b h VAL 83 CO -0.00 0.06 0.06 0.03 0.02 0.00 0.00 177.57 177.74 3k5b h ARG 84 N 0.33 0.30 -0.42 1.57 2.47 -0.96 -2.57 114.38 115.11 3k5b h ARG 84 Ca 0.25 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 3k5b h ARG 84 Cb 0.53 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 3k5b h ARG 84 CO -0.06 0.41 0.23 -0.09 0.56 0.00 0.00 179.97 181.02 3k5b h ARG 85 N 0.14 0.58 -0.77 0.04 2.43 0.22 -2.06 114.38 114.96 3k5b h ARG 85 Ca 0.06 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3k5b h ARG 85 Cb 0.24 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3k5b h ARG 85 CO -0.00 0.46 0.39 0.00 -1.51 0.00 0.00 179.97 179.31 3k5b h ARG 86 N 0.54 1.08 -0.50 0.20 3.08 -1.24 1.17 114.38 118.72 3k5b h ARG 86 Ca 0.15 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3k5b h ARG 86 Cb 0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3k5b h ARG 86 CO -0.02 0.82 0.09 0.28 -1.07 0.00 0.00 179.97 180.06 3k5b h VAL 87 N 1.08 1.22 0.10 2.04 2.07 -1.30 0.48 116.25 121.95 3k5b h VAL 87 Ca 0.27 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3k5b h VAL 87 Cb 0.07 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3k5b h VAL 87 CO -0.04 0.31 -0.05 -0.09 0.02 0.00 0.00 177.57 177.72 3k5b h ARG 88 N 0.74 -0.13 -0.86 1.57 2.43 -0.42 -1.12 114.38 116.60 3k5b h ARG 88 Ca 0.16 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.50 3k5b h ARG 88 Cb 0.32 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.80 3k5b h ARG 88 CO 0.00 0.38 0.43 1.49 -1.51 0.00 0.00 179.97 180.77 3k5b h GLU 89 N -0.78 0.57 -0.63 0.20 4.81 0.14 0.39 114.58 119.27 3k5b h GLU 89 Ca -0.01 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3k5b h GLU 89 Cb 0.57 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3k5b h GLU 89 CO 0.02 0.37 0.25 0.00 -0.73 0.00 0.00 179.01 178.93 3k5b h ALA 90 N 1.59 0.82 0.00 2.92 0.00 -0.01 0.23 119.26 124.81 3k5b h ALA 90 Ca 0.48 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3k5b h ALA 90 Cb 0.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3k5b h ALA 90 CO -0.39 0.43 -0.17 1.37 0.00 0.00 0.00 179.25 180.48 3k5b h LEU 91 N 0.88 0.00 0.00 0.00 -0.00 0.14 -2.95 115.31 113.39 3k5b h LEU 91 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 3k5b h LEU 91 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 3k5b h LEU 91 CO -0.02 0.17 -1.14 1.21 -0.00 0.00 0.00 178.44 178.67 3k5b n GLU 92 N -3.30 0.48 0.00 0.17 4.07 0.12 -3.73 120.64 118.45 3k5b n GLU 92 Ca 0.01 0.03 0.13 0.00 -0.06 0.00 0.00 57.16 57.26 3k5b n GLU 92 Cb 0.42 -1.69 0.24 0.00 -0.06 0.00 0.00 31.44 30.36 3k5b n GLU 92 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k5b n ALA 93 N -2.04 2.71 -0.09 4.31 0.00 0.74 -4.44 120.51 121.69 3k5b n ALA 93 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 3k5b n ALA 93 Cb 0.51 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 3k5b n ALA 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k5b h LEU 94 N 3.34 0.38 -0.91 0.00 5.85 -1.60 -3.19 115.31 119.18 3k5b h LEU 94 Ca 0.00 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.64 3k5b h LEU 94 Cb 0.77 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 3k5b h LEU 94 CO 0.00 0.44 0.55 -0.65 -0.34 0.00 0.00 178.44 178.45 3k5b h PRO 95 N 0.29 0.92 -0.00 5.25 0.11 -1.81 -1.34 132.00 135.42 3k5b h PRO 95 Ca 0.09 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3k5b h PRO 95 Cb 0.18 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3k5b h PRO 95 CO -0.01 0.61 -0.02 0.00 -0.21 0.00 0.00 178.00 178.37 3k5b n GLN 96 N -4.65 0.99 -2.94 1.05 10.64 -1.23 -4.75 117.38 116.49 3k5b n GLN 96 Ca 0.15 -0.20 -0.32 0.00 -1.83 0.00 0.00 57.00 54.81 3k5b n GLN 96 Cb 0.26 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.09 3k5b n GLN 96 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3k5b s LYS 97 N -2.15 3.93 0.00 2.61 -0.14 -0.50 -4.96 119.74 118.53 3k5b s LYS 97 Ca 0.41 0.66 0.00 0.00 -1.36 0.00 0.00 55.97 55.68 3k5b s LYS 97 Cb 0.21 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 34.00 3k5b s LYS 97 CO 0.39 0.03 1.74 -0.35 -0.76 0.00 0.00 175.35 176.40 3k5b n PRO 98 N -0.85 0.92 0.00 -1.68 -0.04 -1.26 -3.09 135.00 129.00 3k5b n PRO 98 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3k5b n PRO 98 Cb 0.54 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 3k5b n PRO 98 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3k5b n GLU 99 N 1.43 0.00 -0.02 0.54 0.28 -1.26 -4.96 120.64 116.65 3k5b n GLU 99 Ca 0.00 -0.33 -0.20 0.00 -0.16 0.00 0.00 57.16 56.47 3k5b n GLU 99 Cb 0.46 -0.35 -0.13 0.00 1.43 0.00 0.00 31.44 32.84 3k5b n GLU 99 CO 0.00 0.00 0.00 2.35 -0.16 0.00 0.00 177.13 179.32 3k5b h TRP 100 N 0.00 0.30 -0.73 -1.84 2.91 -1.73 -3.31 115.95 111.55 3k5b h TRP 100 Ca 0.00 -0.22 0.07 0.00 1.13 0.00 0.00 58.89 59.87 3k5b h TRP 100 Cb 0.97 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 29.56 3k5b h TRP 100 CO 0.00 1.40 0.48 -1.35 -1.03 0.00 0.00 178.44 177.94 3k5b h PRO 101 N -0.57 0.71 -0.55 2.65 0.11 -1.91 -2.37 132.00 130.08 3k5b h PRO 101 Ca -0.23 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.88 3k5b h PRO 101 Cb 1.52 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.42 3k5b h PRO 101 CO 0.02 0.47 0.30 0.93 -0.21 0.00 0.00 178.00 179.51 3k5b h GLU 102 N 0.73 0.56 -0.27 1.05 3.07 -1.96 -2.31 114.58 115.46 3k5b h GLU 102 Ca 0.32 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.08 3k5b h GLU 102 Cb 0.30 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3k5b h GLU 102 CO -0.11 0.37 -0.13 0.28 -1.40 0.00 0.00 179.01 178.03 3k5b h VAL 103 N 0.58 1.22 -0.28 3.13 2.07 -1.52 -3.37 116.25 118.08 3k5b h VAL 103 Ca 0.24 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3k5b h VAL 103 Cb 0.12 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3k5b h VAL 103 CO -0.15 0.32 -0.17 1.33 0.02 0.00 0.00 177.57 178.93 3k5b n VAL 104 N -4.21 -0.19 0.37 2.57 0.24 -0.87 -1.38 118.33 114.85 3k5b n VAL 104 Ca 0.00 1.74 0.14 0.00 -2.04 0.00 0.00 64.34 64.18 3k5b n VAL 104 Cb 0.31 -2.25 0.50 0.00 -1.47 0.00 0.00 33.84 30.93 3k5b n VAL 104 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3k5b h ARG 105 N 0.00 0.00 0.04 7.34 -0.00 -1.72 -2.86 114.38 117.19 3k5b h ARG 105 Ca 0.04 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.55 3k5b h ARG 105 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.03 3k5b h ARG 105 CO -0.26 0.00 -0.42 0.87 0.00 0.00 0.00 179.97 180.16 3k5b h LYS 106 N 0.00 -0.58 0.00 0.04 1.57 -1.39 0.74 116.57 116.96 3k5b h LYS 106 Ca 0.00 0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3k5b h LYS 106 Cb 0.56 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3k5b h LYS 106 CO 0.00 -0.38 -0.46 1.25 -0.57 0.00 0.00 179.45 179.29 3k5b h LEU 107 N -0.60 0.00 -0.24 2.94 7.12 -1.50 -0.53 115.31 122.51 3k5b h LEU 107 Ca 0.04 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.00 3k5b h LEU 107 Cb 0.66 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 3k5b h LEU 107 CO -0.29 0.46 -0.06 0.00 -0.13 0.00 0.00 178.44 178.42 3k5b h ALA 108 N 1.54 0.32 -0.11 1.25 0.00 -1.20 -2.31 119.26 118.76 3k5b h ALA 108 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3k5b h ALA 108 Cb 1.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k5b h ALA 108 CO 0.06 0.12 -0.10 1.37 0.00 0.00 0.00 179.25 180.70 3k5b h LEU 109 N 0.19 0.27 -0.86 0.00 -0.00 0.52 -2.43 115.31 112.99 3k5b h LEU 109 Ca 0.06 -0.47 0.15 0.00 -0.00 0.00 0.00 57.88 57.62 3k5b h LEU 109 Cb 0.52 -0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 41.01 3k5b h LEU 109 CO 0.02 0.69 0.45 1.05 -0.00 0.00 0.00 178.44 180.65 3k5b h GLU 110 N -0.14 0.62 -0.26 0.17 9.09 -1.11 0.42 114.58 123.36 3k5b h GLU 110 Ca 0.02 -0.04 -0.14 0.00 0.05 0.00 0.00 59.36 59.25 3k5b h GLU 110 Cb 0.61 -0.14 -0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3k5b h GLU 110 CO 0.02 0.41 -0.40 0.00 0.05 0.00 0.00 179.01 179.10 3k5b h ALA 111 N 1.56 0.40 -0.58 1.06 0.00 -1.48 -3.21 119.26 117.02 3k5b h ALA 111 Ca 0.47 -0.45 0.17 0.00 0.00 0.00 0.00 54.91 55.10 3k5b h ALA 111 Cb 0.67 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3k5b h ALA 111 CO -0.36 0.50 0.43 -0.07 0.00 0.00 0.00 179.25 179.75 3k5b h LEU 112 N 0.47 0.00 -0.32 0.00 3.38 -0.43 0.72 115.31 119.12 3k5b h LEU 112 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3k5b h LEU 112 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3k5b h LEU 112 CO 0.09 0.00 -0.52 1.05 0.09 0.00 0.00 178.44 179.15 3k5b h GLU 113 N 0.00 0.88 0.00 1.13 9.09 -1.32 -3.26 114.58 121.10 3k5b h GLU 113 Ca 0.27 -0.54 -0.04 0.00 0.05 0.00 0.00 59.36 59.10 3k5b h GLU 113 Cb 1.12 0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 28.28 3k5b h GLU 113 CO -0.00 1.18 -0.21 0.00 0.05 0.00 0.00 179.01 180.03 3k5b h ALA 114 N 0.71 1.36 -2.93 1.06 0.00 -0.92 -3.33 119.26 115.22 3k5b h ALA 114 Ca 0.02 -0.19 -0.73 0.00 0.00 0.00 0.00 54.91 54.01 3k5b h ALA 114 Cb 1.13 -0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.58 3k5b h ALA 114 CO 0.12 0.26 -0.22 -0.48 0.00 0.00 0.00 179.25 178.93 3k5b s LEU 115 N -7.72 5.85 0.17 0.00 0.05 -1.06 -4.97 118.68 111.00 3k5b s LEU 115 Ca -0.03 -2.59 -0.10 0.00 0.05 0.00 0.00 54.13 51.46 3k5b s LEU 115 Cb 0.14 -2.01 0.05 0.00 -2.05 0.00 0.00 46.19 42.32 3k5b s LEU 115 CO 0.65 -0.51 1.62 1.55 -0.55 0.00 0.00 176.35 179.11 3k5b h PRO 116 N 7.60 1.02 0.00 1.48 0.13 -1.76 -3.34 132.00 137.12 3k5b h PRO 116 Ca -0.02 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3k5b h PRO 116 Cb 1.01 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3k5b h PRO 116 CO 0.76 1.01 0.00 0.41 -0.23 0.00 0.00 178.00 179.95 3k5b n GLY 117 N -0.39 -1.52 0.92 1.56 0.00 -1.26 -5.06 105.19 99.44 3k5b n GLY 117 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3k5b n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5b n ALA 118 N -1.50 -2.59 -0.07 4.61 0.00 -1.26 -4.88 120.51 114.82 3k5b n ALA 118 Ca 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 3k5b n ALA 118 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3k5b n ALA 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k5b n LYS 119 N 0.23 0.41 -3.84 0.00 4.01 -0.13 -4.83 118.16 114.01 3k5b n LYS 119 Ca 0.00 0.17 -0.15 0.00 -0.51 0.00 0.00 58.31 57.81 3k5b n LYS 119 Cb 0.00 -1.21 -0.05 0.00 -0.51 0.00 0.00 35.03 33.26 3k5b n LYS 119 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3k5b n ALA 120 N -4.17 0.29 -2.53 7.82 0.00 -1.15 -4.47 120.51 116.30 3k5b n ALA 120 Ca -0.16 -1.59 -0.11 0.00 0.00 0.00 0.00 53.44 51.58 3k5b n ALA 120 Cb 0.47 1.28 -0.08 0.00 0.00 0.00 0.00 19.45 21.12 3k5b n ALA 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k5b s LEU 121 N 0.00 0.88 0.16 0.00 2.01 -0.74 -2.72 118.68 118.27 3k5b s LEU 121 Ca 0.31 -1.24 0.07 0.00 0.01 0.00 0.00 54.13 53.28 3k5b s LEU 121 Cb 0.01 0.85 -0.04 0.00 0.01 0.00 0.00 46.19 47.02 3k5b s LEU 121 CO 0.22 -0.94 -0.14 0.68 1.01 0.00 0.00 176.35 177.17 3k5b s VAL 122 N -4.10 1.55 0.00 -1.59 -7.23 -1.24 -2.21 120.40 105.58 3k5b s VAL 122 Ca 0.33 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3k5b s VAL 122 Cb 0.04 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.15 3k5b s VAL 122 CO 0.11 -0.52 0.00 0.00 -0.31 0.00 0.00 175.10 174.38 3k5b n ALA 123 N 0.03 0.00 -1.91 1.32 0.00 -1.19 -4.29 120.51 114.46 3k5b n ALA 123 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 3k5b n ALA 123 Cb 0.59 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.09 3k5b n ALA 123 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k5b s ASN 124 N 0.00 5.31 0.55 0.00 -0.87 -1.26 -4.29 114.94 114.38 3k5b s ASN 124 Ca 0.00 1.01 0.36 0.00 -1.57 0.00 0.00 52.86 52.66 3k5b s ASN 124 Cb 0.00 -1.78 1.74 0.00 -0.02 0.00 0.00 41.25 41.19 3k5b s ASN 124 CO 0.00 -1.40 2.09 1.55 -2.57 0.00 0.00 177.10 176.77 3k5b h PRO 125 N -0.65 0.00 -0.18 -0.60 0.13 -1.97 2.38 132.00 131.10 3k5b h PRO 125 Ca -0.45 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 3k5b h PRO 125 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3k5b h PRO 125 CO 0.64 0.00 0.19 0.93 -0.23 0.00 0.00 178.00 179.53 3k5b h GLU 126 N 0.00 0.00 0.00 0.86 3.07 -1.92 -3.41 114.58 113.18 3k5b h GLU 126 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3k5b h GLU 126 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3k5b h GLU 126 CO 0.00 0.00 -0.08 -0.25 -1.40 0.00 0.00 179.01 177.28 3k5b n ASP 127 N -3.87 0.06 -0.28 1.42 10.43 -0.01 -4.98 116.55 119.32 3k5b n ASP 127 Ca 0.02 0.27 0.01 0.00 2.57 0.00 0.00 54.79 57.65 3k5b n ASP 127 Cb 0.31 0.16 0.05 0.00 1.84 0.00 0.00 41.12 43.49 3k5b n ASP 127 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3k5b n LEU 128 N -3.17 -0.42 -0.34 0.64 7.94 0.78 -0.02 117.00 122.41 3k5b n LEU 128 Ca 0.00 1.30 0.29 0.00 -1.11 0.00 0.00 56.01 56.49 3k5b n LEU 128 Cb 0.04 -0.33 0.54 0.00 0.53 0.00 0.00 43.42 44.20 3k5b n LEU 128 CO 0.00 -1.19 1.11 -0.65 -1.11 0.00 0.00 177.39 175.54 3k5b h PRO 129 N 0.00 0.16 -0.79 1.96 0.11 -1.81 0.34 132.00 131.97 3k5b h PRO 129 Ca 0.29 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.48 3k5b h PRO 129 Cb 0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.50 3k5b h PRO 129 CO -0.75 0.11 0.52 0.45 -0.21 0.00 0.00 178.00 178.11 3k5b h HIS 130 N 0.17 0.79 -0.11 0.65 3.86 -0.80 -3.34 115.15 116.38 3k5b h HIS 130 Ca 0.79 0.02 -0.49 0.00 -1.16 0.00 0.00 60.37 59.53 3k5b h HIS 130 Cb 2.00 -0.26 0.05 0.00 1.06 0.00 0.00 27.41 30.27 3k5b h HIS 130 CO -0.01 0.38 1.50 1.28 0.86 0.00 0.00 177.93 181.94 3k5b n LEU 131 N -4.50 2.68 -0.02 2.43 4.32 0.12 -4.03 117.00 118.00 3k5b n LEU 131 Ca 0.13 -2.52 -0.01 0.00 -0.02 0.00 0.00 56.01 53.59 3k5b n LEU 131 Cb 0.31 -1.15 -0.04 0.00 -1.62 0.00 0.00 43.42 40.92 3k5b n LEU 131 CO 0.32 -1.54 -0.62 -1.84 -1.22 0.00 0.00 177.39 172.49 3k5b n GLU 132 N 7.68 2.32 0.00 3.23 0.00 -1.26 -4.34 120.64 128.28 3k5b n GLU 132 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.62 3k5b n GLU 132 Cb 0.43 -1.12 0.01 0.00 0.00 0.00 0.00 31.44 30.76 3k5b n GLU 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3k5b n ALA 133 N -2.02 1.49 0.00 -1.84 0.00 -1.26 -1.42 120.51 115.45 3k5b n ALA 133 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3k5b n ALA 133 Cb 0.50 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3k5b n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k5b n ALA 135 N -1.03 0.00 0.07 0.00 0.00 -1.26 -3.51 120.51 114.78 3k5b n ALA 135 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3k5b n ALA 135 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3k5b n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k5b h ARG 136 N 0.00 -0.22 0.00 0.00 2.47 -1.57 -3.34 114.38 111.72 3k5b h ARG 136 Ca 0.00 0.01 -0.43 0.00 -1.26 0.00 0.00 59.98 58.30 3k5b h ARG 136 Cb 0.00 0.05 0.17 0.00 -1.65 0.00 0.00 29.97 28.54 3k5b h ARG 136 CO 0.00 0.17 0.41 -0.85 0.56 0.00 0.00 179.97 180.26 3k5b n GLU 137 N -4.99 -1.26 0.00 0.04 -0.00 -1.23 -4.79 120.64 108.41 3k5b n GLU 137 Ca -0.09 -2.10 0.00 0.00 -0.00 0.00 0.00 57.16 54.98 3k5b n GLU 137 Cb 0.25 -1.35 0.00 0.00 -0.00 0.00 0.00 31.44 30.34 3k5b n GLU 137 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3k5b n ARG 138 N -3.80 0.00 -0.01 3.44 -4.01 -1.26 -3.71 116.66 107.31 3k5b n ARG 138 Ca 0.17 0.00 -0.17 0.00 -1.04 0.00 0.00 57.85 56.81 3k5b n ARG 138 Cb 0.58 0.00 -0.10 0.00 -3.04 0.00 0.00 32.46 29.91 3k5b n ARG 138 CO 0.00 0.00 0.00 0.78 -3.04 0.00 0.00 177.63 175.37 3k5b h GLY 139 N 0.00 0.55 0.00 2.89 0.00 -1.91 -3.48 103.07 101.12 3k5b h GLY 139 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 3k5b h GLY 139 CO 0.00 0.76 0.00 -0.62 0.00 0.00 0.00 176.54 176.68 3k5b n VAL 140 N -4.19 0.00 -3.23 4.60 0.31 -1.24 -5.05 118.33 109.53 3k5b n VAL 140 Ca -0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.83 3k5b n VAL 140 Cb 0.65 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.51 3k5b n VAL 140 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3k5b s GLU 141 N -0.39 3.72 -0.04 5.55 0.41 -1.26 -4.92 118.70 121.76 3k5b s GLU 141 Ca 0.00 -0.05 0.06 0.00 -0.41 0.00 0.00 54.97 54.57 3k5b s GLU 141 Cb 0.00 -3.78 0.09 0.00 -1.78 0.00 0.00 34.13 28.66 3k5b s GLU 141 CO 0.00 -0.60 1.01 1.28 -0.49 0.00 0.00 175.26 176.47 3k5b n LEU 142 N 5.74 1.91 -4.60 1.80 4.32 -1.26 -1.80 117.00 123.12 3k5b n LEU 142 Ca -0.04 -2.16 -0.42 0.00 -0.02 0.00 0.00 56.01 53.37 3k5b n LEU 142 Cb 0.49 -0.13 -0.05 0.00 -1.62 0.00 0.00 43.42 42.11 3k5b n LEU 142 CO 0.44 0.52 0.54 -1.10 -1.22 0.00 0.00 177.39 176.58 3k5b s GLN 143 N -1.46 3.83 0.00 3.23 -0.21 -0.94 -4.53 119.66 119.59 3k5b s GLN 143 Ca 0.09 0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.86 3k5b s GLN 143 Cb 0.08 -3.77 0.00 0.00 1.00 0.00 0.00 33.01 30.32 3k5b s GLN 143 CO 0.01 -0.75 0.00 0.00 -2.12 0.00 0.00 175.29 172.43 3k5b n ALA 144 N 6.26 0.00 -3.39 6.09 0.00 -1.25 -4.58 120.51 123.65 3k5b n ALA 144 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 3k5b n ALA 144 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3k5b n ALA 144 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3k5b s GLU 145 N -1.95 0.49 0.00 0.00 4.04 -1.26 -3.20 118.70 116.82 3k5b s GLU 145 Ca 0.00 1.07 0.00 0.00 0.04 0.00 0.00 54.97 56.08 3k5b s GLU 145 Cb 0.00 0.63 0.00 0.00 0.02 0.00 0.00 34.13 34.78 3k5b s GLU 145 CO 0.00 -0.33 0.00 -0.35 -1.84 0.00 0.00 175.26 172.74 3k5b n PRO 146 N 5.37 0.00 -0.56 -4.83 -0.04 -1.26 -4.97 135.00 128.71 3k5b n PRO 146 Ca -0.07 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 3k5b n PRO 146 Cb 0.51 -0.54 0.12 0.00 -0.04 0.00 0.00 33.50 33.54 3k5b n PRO 146 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3k5b n ARG 149 N -0.77 0.92 -3.84 0.54 1.74 -1.26 -4.99 116.66 109.00 3k5b n ARG 149 Ca 0.00 -2.42 -0.30 0.00 -0.77 0.00 0.00 57.85 54.35 3k5b n ARG 149 Cb 0.00 -1.10 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 3k5b n ARG 149 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k5b s LEU 150 N -1.97 3.27 0.00 0.55 1.02 -1.26 -4.83 118.68 115.45 3k5b s LEU 150 Ca 0.28 -2.01 0.00 0.00 0.02 0.00 0.00 54.13 52.43 3k5b s LEU 150 Cb 0.28 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 45.30 3k5b s LEU 150 CO -0.04 -0.38 0.00 0.61 0.02 0.00 0.00 176.35 176.56 3k5b n GLY 151 N 4.40 0.80 3.00 -3.19 0.00 -1.26 -1.76 105.19 107.17 3k5b n GLY 151 Ca 0.02 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 3k5b n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k5b s VAL 152 N -1.51 0.03 0.39 1.61 1.01 -0.78 -4.89 120.40 116.27 3k5b s VAL 152 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.74 3k5b s VAL 152 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3k5b s VAL 152 CO 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 175.10 175.01 3k5b s ARG 153 N -0.47 1.86 0.01 2.72 1.70 -1.26 -0.28 118.95 123.23 3k5b s ARG 153 Ca -0.05 -2.10 -0.17 0.00 -0.47 0.00 0.00 55.73 52.93 3k5b s ARG 153 Cb -0.03 -0.99 0.03 0.00 -0.57 0.00 0.00 34.95 33.39 3k5b s ARG 153 CO 0.00 -0.29 0.38 0.00 -1.08 0.00 0.00 175.30 174.31 3k5b s ALA 154 N -3.13 -0.93 -0.07 7.88 0.00 -0.61 -3.72 121.76 121.18 3k5b s ALA 154 Ca 0.27 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.61 3k5b s ALA 154 Cb 0.06 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.38 3k5b s ALA 154 CO 0.13 -0.35 -0.07 0.08 0.00 0.00 0.00 175.76 175.56 3k5b s VAL 155 N -1.81 0.79 0.33 0.00 1.01 -1.10 -2.63 120.40 116.99 3k5b s VAL 155 Ca -0.10 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.73 3k5b s VAL 155 Cb -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3k5b s VAL 155 CO 0.02 0.30 0.28 -0.83 0.00 0.00 0.00 175.10 174.86 3k5b s GLY 156 N 1.19 2.33 -1.47 4.51 0.00 -1.26 -0.96 107.32 111.68 3k5b s GLY 156 Ca -0.06 -2.07 -0.11 0.00 0.00 0.00 0.00 44.72 42.48 3k5b s GLY 156 CO -0.02 -1.48 0.99 0.00 0.00 0.00 0.00 173.10 172.59 3k5b n ALA 157 N -0.62 -1.40 0.00 3.20 0.00 -1.26 -3.26 120.51 117.17 3k5b n ALA 157 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3k5b n ALA 157 Cb 0.62 -4.32 0.00 0.00 0.00 0.00 0.00 19.45 15.75 3k5b n ALA 157 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3k5b n GLU 158 N -4.69 0.00 0.00 0.00 2.13 -1.26 -3.64 120.64 113.18 3k5b n GLU 158 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3k5b n GLU 158 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 3k5b n GLU 158 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k5b n GLY 159 N 0.00 0.03 7.00 8.31 0.00 -1.20 -4.89 105.19 114.43 3k5b n GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k5b n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k5b n LYS 160 N -1.94 0.00 -2.88 1.61 4.76 -1.23 -4.07 118.16 114.41 3k5b n LYS 160 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3k5b n LYS 160 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 3k5b n LYS 160 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3k5b s THR 161 N 0.00 4.68 -0.95 -0.18 -4.23 -1.26 -4.99 115.64 108.70 3k5b s THR 161 Ca 0.00 1.13 -0.24 0.00 -1.18 0.00 0.00 61.69 61.40 3k5b s THR 161 Cb 0.00 -4.26 0.05 0.00 1.34 0.00 0.00 72.50 69.64 3k5b s THR 161 CO 0.00 -0.43 1.39 -1.10 -0.54 0.00 0.00 174.62 173.93 3k5b s GLN 162 N 3.25 3.50 0.08 3.99 -0.21 -1.26 -4.71 119.66 124.29 3k5b s GLN 162 Ca 0.35 -0.98 -0.26 0.00 0.02 0.00 0.00 55.36 54.49 3k5b s GLN 162 Cb -0.13 -5.08 -0.06 0.00 1.00 0.00 0.00 33.01 28.74 3k5b s GLN 162 CO 0.16 -2.16 0.79 0.08 -2.12 0.00 0.00 175.29 172.04 3k5b s VAL 163 N 4.97 4.63 0.20 1.09 1.01 -1.08 -4.88 120.40 126.34 3k5b s VAL 163 Ca 0.43 1.70 0.01 0.00 0.00 0.00 0.00 61.98 64.12 3k5b s VAL 163 Cb -0.02 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 3k5b s VAL 163 CO -0.05 0.39 0.03 -1.84 0.00 0.00 0.00 175.10 173.64 3k5b n GLU 164 N 2.57 1.10 -3.08 2.72 0.00 -1.26 -1.57 120.64 121.11 3k5b n GLU 164 Ca -0.02 -1.56 -0.06 0.00 0.00 0.00 0.00 57.16 55.51 3k5b n GLU 164 Cb 0.50 0.64 -0.02 0.00 0.00 0.00 0.00 31.44 32.56 3k5b n GLU 164 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3k5b s ASN 165 N -2.16 -0.86 0.24 -1.84 2.47 0.61 -4.92 114.94 108.47 3k5b s ASN 165 Ca 0.05 -1.44 -0.30 0.00 0.42 0.00 0.00 52.86 51.60 3k5b s ASN 165 Cb 0.00 1.54 -0.09 0.00 -1.45 0.00 0.00 41.25 41.25 3k5b s ASN 165 CO 0.03 -0.14 1.16 -0.44 -3.72 0.00 0.00 177.10 174.00 3k5b s SER 166 N 1.28 7.14 0.34 -4.21 0.01 -1.26 -1.86 113.70 115.14 3k5b s SER 166 Ca 0.23 2.28 0.06 0.00 1.31 0.00 0.00 55.95 59.82 3k5b s SER 166 Cb -0.04 -2.62 0.61 0.00 0.21 0.00 0.00 66.02 64.18 3k5b s SER 166 CO -0.06 -0.29 1.85 0.17 0.41 0.00 0.00 173.24 175.32 3k5b h LEU 167 N 4.50 0.40 -0.43 2.44 -0.00 -1.70 -2.16 115.31 118.36 3k5b h LEU 167 Ca -0.46 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.28 3k5b h LEU 167 Cb 1.21 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 3k5b h LEU 167 CO 0.71 0.55 -0.24 -0.07 -0.00 0.00 0.00 178.44 179.38 3k5b h LEU 168 N 0.39 0.00 -1.05 0.17 3.38 -1.93 -2.89 115.31 113.39 3k5b h LEU 168 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k5b h LEU 168 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3k5b h LEU 168 CO 0.02 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3k5b h ALA 169 N 1.76 1.00 0.00 1.53 0.00 -1.77 -2.88 119.26 118.90 3k5b h ALA 169 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k5b h ALA 169 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3k5b h ALA 169 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.82 3k5b n ARG 170 N -3.09 0.71 0.00 0.00 1.74 -1.08 -3.18 116.66 111.77 3k5b n ARG 170 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3k5b n ARG 170 Cb 0.37 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 3k5b n ARG 170 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3k5b n ASP 172 N 0.43 0.00 -0.05 0.55 2.03 -1.09 -0.84 116.55 117.59 3k5b n ASP 172 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 3k5b n ASP 172 Cb 0.28 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.68 3k5b n ASP 172 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3k5b h ARG 173 N 0.00 0.00 -0.45 -0.67 2.47 -1.85 -3.28 114.38 110.60 3k5b h ARG 173 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 3k5b h ARG 173 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3k5b h ARG 173 CO 0.00 0.00 -0.23 0.00 0.56 0.00 0.00 179.97 180.30 3k5b h ALA 174 N -1.14 0.73 -0.10 0.04 0.00 -1.28 0.61 119.26 118.12 3k5b h ALA 174 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3k5b h ALA 174 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3k5b h ALA 174 CO 0.00 0.67 0.02 2.35 0.00 0.00 0.00 179.25 182.29 3k5b h TRP 175 N 0.81 0.03 -0.03 0.00 2.91 -1.81 -3.01 115.95 114.86 3k5b h TRP 175 Ca 0.10 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.08 3k5b h TRP 175 Cb 0.79 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.44 3k5b h TRP 175 CO 0.05 0.01 -0.20 0.22 -1.03 0.00 0.00 178.44 177.50 3k5b h ASP 176 N 0.06 0.05 0.02 2.65 3.58 -1.46 -1.78 116.42 119.53 3k5b h ASP 176 Ca 0.04 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3k5b h ASP 176 Cb 0.04 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.07 3k5b h ASP 176 CO -0.06 0.25 0.00 0.00 -2.88 0.00 0.00 179.24 176.55 3k5b n ALA 177 N -2.50 2.17 -2.26 -0.78 0.00 0.15 -4.98 120.51 112.31 3k5b n ALA 177 Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 3k5b n ALA 177 Cb 0.27 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3k5b n ALA 177 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k5b n SER 179 N -1.02 -5.49 0.00 0.00 2.88 -0.67 -4.89 113.62 104.43 3k5b n SER 179 Ca 0.13 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 3k5b n SER 179 Cb 0.07 -3.56 0.00 0.00 -0.75 0.00 0.00 64.21 59.97 3k5b n SER 179 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3k5b n SER 180 N -0.13 0.00 0.00 -3.46 2.88 -1.26 -4.83 113.62 106.82 3k5b n SER 180 Ca 0.05 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.57 3k5b n SER 180 Cb 0.18 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.89 3k5b n SER 180 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3k5b h LYS 181 N 0.00 0.51 -0.21 -1.46 3.64 -1.99 -2.30 116.57 114.76 3k5b h LYS 181 Ca 0.00 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 3k5b h LYS 181 Cb 0.00 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3k5b h LYS 181 CO 0.00 0.63 -0.31 -0.39 -2.27 0.00 0.00 179.45 177.12 3k5b h VAL 182 N 0.47 1.33 -0.28 2.00 -1.51 -1.98 -1.86 116.25 114.42 3k5b h VAL 182 Ca 0.09 -1.52 -0.12 0.00 -1.23 0.00 0.00 66.70 63.92 3k5b h VAL 182 Cb 0.51 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 3k5b h VAL 182 CO 0.03 0.47 -0.32 0.00 -1.23 0.00 0.00 177.57 176.52 3k5b h ALA 183 N 0.62 0.92 0.01 5.19 0.00 -1.87 -0.36 119.26 123.77 3k5b h ALA 183 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3k5b h ALA 183 Cb 0.89 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k5b h ALA 183 CO 0.07 0.62 -0.00 1.96 0.00 0.00 0.00 179.25 181.90 3k5b h GLN 184 N 0.50 -0.01 -0.89 0.00 1.08 -1.47 -0.99 115.11 113.33 3k5b h GLN 184 Ca 0.06 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.43 3k5b h GLN 184 Cb 0.80 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.13 3k5b h GLN 184 CO 0.07 0.28 0.46 0.00 -0.95 0.00 0.00 178.83 178.69 3k5b h ALA 185 N 0.69 1.40 -0.12 3.87 0.00 -1.13 -1.86 119.26 122.11 3k5b h ALA 185 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k5b h ALA 185 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k5b h ALA 185 CO 0.00 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.39 3k5b n LEU 186 N -4.89 0.03 -4.16 0.00 4.77 -0.16 -4.38 117.00 108.21 3k5b n LEU 186 Ca 0.20 0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 56.61 3k5b n LEU 186 Cb 0.52 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3k5b n LEU 186 CO 0.19 -0.48 0.74 0.79 -1.33 0.00 0.00 177.39 177.30 3k5b n TRP 187 N -1.94 4.24 1.36 -1.77 8.01 -0.38 -5.10 117.44 121.86 3k5b n TRP 187 Ca 0.00 -3.65 0.13 0.00 -1.31 0.00 0.00 57.50 52.67 3k5b n TRP 187 Cb 0.00 -1.41 0.41 0.00 -2.01 0.00 0.00 31.31 28.29 3k5b n TRP 187 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09