#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4t h LEU 4 N 0.00 -0.22 -1.30 3.41 5.85 -2.06 -1.83 115.31 119.15 3k4t h LEU 4 Ca 0.00 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3k4t h LEU 4 Cb 0.00 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3k4t h LEU 4 CO 0.00 0.22 0.49 0.78 -0.34 0.00 0.00 178.44 179.59 3k4t h ASN 5 N -0.73 0.78 -0.51 1.25 4.21 -2.05 0.59 115.58 119.12 3k4t h ASN 5 Ca -0.03 -0.01 0.10 0.00 1.21 0.00 0.00 56.30 57.58 3k4t h ASN 5 Cb 0.50 -0.18 -0.10 0.00 -1.12 0.00 0.00 38.32 37.42 3k4t h ASN 5 CO 0.04 0.54 -0.19 -0.61 -1.29 0.00 0.00 177.43 175.93 3k4t h GLN 6 N 0.91 -0.07 -0.15 0.81 4.15 -2.00 -2.24 115.11 116.52 3k4t h GLN 6 Ca 0.29 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.70 3k4t h GLN 6 Cb 0.03 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3k4t h GLN 6 CO -0.08 -0.05 0.02 0.82 -1.93 0.00 0.00 178.83 177.61 3k4t h ILE 7 N -0.07 1.23 -0.71 2.39 2.04 -0.08 -2.19 117.51 120.12 3k4t h ILE 7 Ca 0.24 -0.75 0.16 0.00 1.00 0.00 0.00 64.86 65.51 3k4t h ILE 7 Cb 0.44 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3k4t h ILE 7 CO -0.56 0.22 0.48 -0.61 0.00 0.00 0.00 178.15 177.68 3k4t h GLN 8 N 0.02 0.28 0.03 2.37 5.75 -0.98 0.11 115.11 122.68 3k4t h GLN 8 Ca 0.04 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3k4t h GLN 8 Cb 0.32 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.81 3k4t h GLN 8 CO 0.00 0.18 -0.01 -0.22 -2.65 0.00 0.00 178.83 176.13 3k4t h LYS 9 N 0.28 -0.04 -0.22 1.69 3.64 -1.15 -2.04 116.57 118.73 3k4t h LYS 9 Ca 0.34 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.78 3k4t h LYS 9 Cb 0.94 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3k4t h LYS 9 CO -0.08 0.61 0.16 0.93 -2.27 0.00 0.00 179.45 178.79 3k4t h GLU 10 N -0.75 0.04 -0.13 1.90 5.08 -0.75 0.12 114.58 120.09 3k4t h GLU 10 Ca -0.00 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3k4t h GLU 10 Cb 0.67 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3k4t h GLU 10 CO 0.01 0.03 -0.13 0.28 -1.00 0.00 0.00 179.01 178.20 3k4t h VAL 11 N 0.04 1.35 -0.88 3.13 2.07 -0.80 0.12 116.25 121.28 3k4t h VAL 11 Ca 0.10 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.39 3k4t h VAL 11 Cb 0.36 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3k4t h VAL 11 CO -0.01 0.37 0.58 0.28 0.02 0.00 0.00 177.57 178.81 3k4t h SER 12 N -0.07 0.91 -0.21 0.57 0.02 -0.68 -0.63 113.55 113.47 3k4t h SER 12 Ca 0.02 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3k4t h SER 12 Cb 0.65 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3k4t h SER 12 CO 0.03 0.61 -0.12 -0.08 -1.14 0.00 0.00 176.83 176.13 3k4t h GLU 13 N 1.05 0.46 -0.66 3.45 4.81 -0.82 -1.71 114.58 121.16 3k4t h GLU 13 Ca 0.36 -0.21 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 3k4t h GLU 13 Cb 0.11 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 3k4t h GLU 13 CO -0.12 0.75 0.33 0.82 -0.73 0.00 0.00 179.01 180.06 3k4t h ILE 14 N 0.16 0.88 -0.23 2.32 2.04 -0.39 -1.00 117.51 121.29 3k4t h ILE 14 Ca 0.05 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3k4t h ILE 14 Cb 0.62 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3k4t h ILE 14 CO 0.03 0.11 0.02 0.25 0.00 0.00 0.00 178.15 178.56 3k4t h LEU 15 N 0.59 0.38 -0.16 1.44 5.85 -0.90 -1.37 115.31 121.13 3k4t h LEU 15 Ca 0.32 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 3k4t h LEU 15 Cb 0.29 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3k4t h LEU 15 CO -0.24 0.57 -0.32 0.77 -0.34 0.00 0.00 178.44 178.88 3k4t h SER 16 N 0.18 0.56 -0.52 1.25 4.64 -1.23 -1.93 113.55 116.50 3k4t h SER 16 Ca 0.07 -0.55 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3k4t h SER 16 Cb 0.36 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 3k4t h SER 16 CO 0.01 1.01 0.31 0.44 -0.87 0.00 0.00 176.83 177.73 3k4t h ASP 17 N 0.14 0.63 -0.25 4.97 5.19 -1.18 -2.80 116.42 123.11 3k4t h ASP 17 Ca 0.01 -0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.21 3k4t h ASP 17 Cb 0.91 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.26 3k4t h ASP 17 CO 0.07 0.49 -0.51 -0.61 -3.12 0.00 0.00 179.24 175.56 3k4t h GLN 18 N 0.73 0.84 -1.00 3.56 4.15 -1.06 -2.72 115.11 119.61 3k4t h GLN 18 Ca 0.19 -0.51 0.13 0.00 0.77 0.00 0.00 58.65 59.23 3k4t h GLN 18 Cb -0.02 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.63 3k4t h GLN 18 CO -0.04 1.15 0.63 0.87 -1.93 0.00 0.00 178.83 179.51 3k4t h LYS 19 N 0.65 0.91 -0.34 1.69 1.57 -1.09 0.36 116.57 120.33 3k4t h LYS 19 Ca 0.02 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3k4t h LYS 19 Cb 1.11 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3k4t h LYS 19 CO 0.11 0.61 -0.25 1.03 -0.57 0.00 0.00 179.45 180.38 3k4t h SER 20 N 0.94 0.80 -0.77 0.86 0.87 -1.46 -2.59 113.55 112.21 3k4t h SER 20 Ca 0.51 -0.44 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3k4t h SER 20 Cb 0.58 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 3k4t h SER 20 CO -0.28 1.07 0.49 0.24 -0.53 0.00 0.00 176.83 177.81 3k4t h MET 21 N 0.54 0.92 -0.17 2.24 2.86 -0.97 -1.97 114.93 118.37 3k4t h MET 21 Ca 0.07 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 3k4t h MET 21 Cb 0.81 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3k4t h MET 21 CO 0.07 0.61 -0.37 1.57 1.06 0.00 0.00 176.91 179.84 3k4t h LYS 22 N 0.94 0.36 -0.36 1.72 2.10 -0.24 -1.05 116.57 120.05 3k4t h LYS 22 Ca 0.31 -0.16 -0.15 0.00 -2.00 0.00 0.00 60.65 58.64 3k4t h LYS 22 Cb 0.03 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 3k4t h LYS 22 CO -0.12 0.68 -0.38 0.00 -2.00 0.00 0.00 179.45 177.63 3k4t h ALA 23 N 1.31 0.63 -0.51 0.07 0.00 -1.28 -1.88 119.26 117.60 3k4t h ALA 23 Ca 0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3k4t h ALA 23 Cb 0.79 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3k4t h ALA 23 CO 0.06 0.67 0.05 -0.44 0.00 0.00 0.00 179.25 179.60 3k4t h ASP 24 N 0.72 0.84 -0.83 0.00 3.32 -1.11 -2.06 116.42 117.29 3k4t h ASP 24 Ca 0.06 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3k4t h ASP 24 Cb 0.96 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 3k4t h ASP 24 CO 0.09 0.91 0.52 0.40 -1.72 0.00 0.00 179.24 179.44 3k4t h ILE 25 N 0.74 1.22 -0.79 0.35 2.04 -1.12 -0.18 117.51 119.78 3k4t h ILE 25 Ca 0.15 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3k4t h ILE 25 Cb 0.45 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3k4t h ILE 25 CO 0.02 0.23 0.43 0.50 0.00 0.00 0.00 178.15 179.33 3k4t h LYS 26 N 1.13 1.10 -0.28 2.37 1.63 -1.24 -2.26 116.57 119.02 3k4t h LYS 26 Ca 0.30 -0.12 -0.16 0.00 -0.85 0.00 0.00 60.65 59.81 3k4t h LYS 26 Cb -0.08 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.33 3k4t h LYS 26 CO -0.06 0.80 -0.48 0.00 -3.45 0.00 0.00 179.45 176.26 3k4t h ALA 27 N 1.37 0.62 -0.42 5.00 0.00 -0.68 0.15 119.26 125.31 3k4t h ALA 27 Ca 0.28 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3k4t h ALA 27 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3k4t h ALA 27 CO -0.05 0.68 0.16 0.82 0.00 0.00 0.00 179.25 180.86 3k4t h ILE 28 N 0.60 0.89 -0.03 0.00 2.04 -0.56 -0.58 117.51 119.86 3k4t h ILE 28 Ca 0.03 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3k4t h ILE 28 Cb 1.05 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3k4t h ILE 28 CO 0.10 0.06 0.01 0.25 0.00 0.00 0.00 178.15 178.58 3k4t h LEU 29 N 0.34 0.04 -0.88 1.44 5.85 -1.30 -2.10 115.31 118.70 3k4t h LEU 29 Ca 0.19 -0.09 0.17 0.00 0.84 0.00 0.00 57.88 59.00 3k4t h LEU 29 Cb 0.17 -0.01 -0.17 0.00 0.37 0.00 0.00 40.66 41.02 3k4t h LEU 29 CO -0.19 0.11 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.46 3k4t h GLU 30 N -0.05 -0.01 -0.27 1.25 4.39 -0.19 -1.72 114.58 117.99 3k4t h GLU 30 Ca 0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 3k4t h GLU 30 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3k4t h GLU 30 CO -0.00 -0.00 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.76 3k4t h LEU 31 N -0.01 0.47 0.00 1.33 3.38 -0.81 -0.71 115.31 118.97 3k4t h LEU 31 Ca 0.41 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k4t h LEU 31 Cb 0.64 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3k4t h LEU 31 CO -0.90 0.68 0.00 0.18 0.09 0.00 0.00 178.44 178.49 3k4t n LEU 32 N -4.59 0.00 -0.11 1.67 4.77 -0.82 -2.90 117.00 115.02 3k4t n LEU 32 Ca -0.03 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 3k4t n LEU 32 Cb 0.26 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 3k4t n LEU 32 CO 0.38 0.00 -1.22 0.61 -1.33 0.00 0.00 177.39 175.83 3k4t n GLY 33 N 0.36 -0.32 0.43 -0.72 0.00 -0.69 -4.48 105.19 99.77 3k4t n GLY 33 Ca 0.10 -0.13 0.22 0.00 0.00 0.00 0.00 46.02 46.22 3k4t n GLY 33 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k4t h SER 34 N -0.31 0.00 -3.09 1.61 0.02 -1.02 -3.39 113.55 107.37 3k4t h SER 34 Ca -0.51 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.81 3k4t h SER 34 Cb 1.65 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.07 3k4t h SER 34 CO -0.18 0.00 -0.51 -1.10 -1.14 0.00 0.00 176.83 173.90 3k4t s GLN 35 N -4.48 3.83 0.05 3.45 -0.21 -1.24 -5.09 119.66 115.96 3k4t s GLN 35 Ca -0.03 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 54.81 3k4t s GLN 35 Cb 0.14 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.85 3k4t s GLN 35 CO 0.47 0.47 0.96 0.54 -2.12 0.00 0.00 175.29 175.61 3k4t s ASN 36 N -0.14 7.42 0.10 5.90 4.22 -1.26 -4.98 114.94 126.19 3k4t s ASN 36 Ca 0.09 1.70 -0.21 0.00 -2.14 0.00 0.00 52.86 52.31 3k4t s ASN 36 Cb -0.12 -2.57 -0.12 0.00 1.28 0.00 0.00 41.25 39.72 3k4t s ASN 36 CO 0.01 -0.17 0.45 -2.65 -2.04 0.00 0.00 177.10 172.69 3k4t n PRO 37 N 3.41 0.00 -0.34 3.55 -0.02 -1.26 -4.63 135.00 135.71 3k4t n PRO 37 Ca 0.04 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.50 3k4t n PRO 37 Cb 0.50 -0.77 0.12 0.00 -0.02 0.00 0.00 33.50 33.33 3k4t n PRO 37 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3k4t h ILE 38 N 1.01 1.25 0.00 4.25 2.04 -2.00 -0.88 117.51 123.19 3k4t h ILE 38 Ca -0.23 -0.53 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 3k4t h ILE 38 Cb 0.98 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3k4t h ILE 38 CO 0.40 0.26 -0.33 0.50 0.00 0.00 0.00 178.15 178.99 3k4t h LYS 39 N 1.29 0.00 0.05 2.37 3.11 -2.00 -2.71 116.57 118.68 3k4t h LYS 39 Ca 0.34 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.93 3k4t h LYS 39 Cb -0.08 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.16 3k4t h LYS 39 CO -0.07 0.33 -1.06 1.49 -2.81 0.00 0.00 179.45 177.33 3k4t h GLU 40 N 0.00 0.38 0.00 1.90 4.81 -1.52 -3.14 114.58 117.00 3k4t h GLU 40 Ca -0.00 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 58.67 3k4t h GLU 40 Cb 0.74 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3k4t h GLU 40 CO 0.04 1.16 -0.48 0.77 -0.73 0.00 0.00 179.01 179.77 3k4t h SER 41 N 0.18 0.00 0.65 1.04 0.02 -1.31 -3.30 113.55 110.83 3k4t h SER 41 Ca -0.11 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.66 3k4t h SER 41 Cb 1.73 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.25 3k4t h SER 41 CO 0.18 0.38 -0.86 -0.07 -1.14 0.00 0.00 176.83 175.32 3k4t h LEU 42 N 0.00 0.18 0.08 5.07 3.38 -1.54 -2.83 115.31 119.65 3k4t h LEU 42 Ca -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3k4t h LEU 42 Cb 1.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3k4t h LEU 42 CO 0.05 0.95 -0.04 -0.33 0.09 0.00 0.00 178.44 179.16 3k4t h GLU 43 N 0.08 -0.10 -0.59 1.13 4.39 -1.62 -1.94 114.58 115.92 3k4t h GLU 43 Ca -0.03 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3k4t h GLU 43 Cb 1.48 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.13 3k4t h GLU 43 CO 0.13 -0.04 0.22 1.79 -1.16 0.00 0.00 179.01 179.95 3k4t h THR 44 N -0.14 1.23 0.00 1.13 1.35 -1.64 -2.48 112.91 112.36 3k4t h THR 44 Ca -0.01 -0.75 -0.13 0.00 -0.55 0.00 0.00 66.41 64.97 3k4t h THR 44 Cb 0.11 0.61 -0.02 0.00 -1.73 0.00 0.00 68.15 67.13 3k4t h THR 44 CO 0.02 0.29 -0.60 0.58 -0.25 0.00 0.00 175.52 175.55 3k4t h VAL 45 N 0.83 1.21 -0.46 6.82 2.07 -1.54 -3.08 116.25 122.11 3k4t h VAL 45 Ca 0.20 -2.24 -0.11 0.00 0.82 0.00 0.00 66.70 65.36 3k4t h VAL 45 Cb 0.23 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3k4t h VAL 45 CO -0.01 0.59 -0.17 0.00 0.02 0.00 0.00 177.57 178.00 3k4t h ALA 46 N 1.40 0.83 0.00 1.67 0.00 -1.20 -2.61 119.26 119.35 3k4t h ALA 46 Ca -0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3k4t h ALA 46 Cb 1.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3k4t h ALA 46 CO 0.08 0.65 -0.61 0.00 0.00 0.00 0.00 179.25 179.37 3k4t h ALA 47 N 1.02 0.86 0.06 0.00 0.00 -1.36 -2.54 119.26 117.30 3k4t h ALA 47 Ca 0.12 -0.55 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 3k4t h ALA 47 Cb 0.70 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.42 3k4t h ALA 47 CO 0.05 0.76 -1.07 -0.22 0.00 0.00 0.00 179.25 178.77 3k4t h LYS 48 N 0.00 0.61 -0.48 0.00 3.64 -1.60 -1.88 116.57 116.86 3k4t h LYS 48 Ca -0.01 -0.75 0.10 0.00 -1.27 0.00 0.00 60.65 58.72 3k4t h LYS 48 Cb 1.17 0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 33.13 3k4t h LYS 48 CO 0.08 1.32 -0.12 0.82 -2.27 0.00 0.00 179.45 179.28 3k4t h ILE 49 N 0.24 0.52 -0.08 2.00 2.04 -1.34 -1.60 117.51 119.28 3k4t h ILE 49 Ca -0.15 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.49 3k4t h ILE 49 Cb 1.75 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3k4t h ILE 49 CO 0.21 0.00 -0.82 -0.37 0.00 0.00 0.00 178.15 177.17 3k4t h VAL 50 N -0.00 1.33 -0.70 1.67 -1.51 -1.52 -2.88 116.25 112.63 3k4t h VAL 50 Ca 0.23 -2.14 -0.04 0.00 -1.23 0.00 0.00 66.70 63.52 3k4t h VAL 50 Cb 0.35 2.14 -0.03 0.00 -2.13 0.00 0.00 31.29 31.62 3k4t h VAL 50 CO -0.49 0.66 0.30 -1.13 -1.23 0.00 0.00 177.57 175.67 3k4t h ASN 51 N 0.38 0.94 1.11 4.19 -1.24 -1.08 0.36 115.58 120.25 3k4t h ASN 51 Ca -0.06 -0.13 -0.12 0.00 0.71 0.00 0.00 56.30 56.71 3k4t h ASN 51 Cb 1.43 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 40.22 3k4t h ASN 51 CO 0.15 0.83 -0.94 0.44 -1.29 0.00 0.00 177.43 176.62 3k4t h ASP 52 N 1.01 0.00 0.81 1.15 5.19 -1.34 0.13 116.42 123.37 3k4t h ASP 52 Ca 0.24 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.50 3k4t h ASP 52 Cb 0.17 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 3k4t h ASP 52 CO -0.02 0.47 -0.73 -0.07 -3.12 0.00 0.00 179.24 175.77 3k4t h LEU 53 N 0.00 0.00 -0.47 1.55 3.38 -1.41 -2.27 115.31 116.09 3k4t h LEU 53 Ca -0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3k4t h LEU 53 Cb 1.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 3k4t h LEU 53 CO 0.05 0.73 0.29 0.74 0.09 0.00 0.00 178.44 180.34 3k4t h THR 54 N 0.00 1.08 -0.56 0.22 2.02 0.00 0.36 112.91 116.03 3k4t h THR 54 Ca -0.01 -0.20 0.10 0.00 0.77 0.00 0.00 66.41 67.07 3k4t h THR 54 Cb 1.33 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 68.10 3k4t h THR 54 CO 0.09 0.11 0.14 0.50 0.37 0.00 0.00 175.52 176.73 3k4t h LYS 55 N 0.59 0.27 0.01 6.66 1.63 -0.60 -2.55 116.57 122.58 3k4t h LYS 55 Ca 0.18 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3k4t h LYS 55 Cb -0.02 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3k4t h LYS 55 CO -0.06 0.18 -0.00 1.25 -3.45 0.00 0.00 179.45 177.36 3k4t h LEU 56 N 0.28 -0.01 -0.01 5.20 5.85 -0.90 -3.09 115.31 122.63 3k4t h LEU 56 Ca 0.29 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3k4t h LEU 56 Cb 0.39 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3k4t h LEU 56 CO -0.35 0.35 -0.00 0.40 -0.34 0.00 0.00 178.44 178.50 3k4t h ILE 57 N -0.37 1.25 -0.01 4.05 2.04 -0.91 -2.84 117.51 120.73 3k4t h ILE 57 Ca -0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3k4t h ILE 57 Cb 0.36 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3k4t h ILE 57 CO 0.00 0.20 0.04 0.78 0.00 0.00 0.00 178.15 179.16 3k4t h ASN 58 N -0.29 0.00 1.00 1.72 2.35 -1.58 -1.52 115.58 117.26 3k4t h ASN 58 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3k4t h ASN 58 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3k4t h ASN 58 CO 0.00 0.00 -0.33 0.44 -1.65 0.00 0.00 177.43 175.89 3k4t h ASP 59 N 0.00 0.00 -4.27 5.81 3.32 -1.41 -3.48 116.42 116.39 3k4t h ASP 59 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3k4t h ASP 59 Cb 0.07 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.73 3k4t h ASP 59 CO -0.00 0.33 -0.47 0.00 -1.72 0.00 0.00 179.24 177.38 3k4t n PRO 61 N -2.61 0.08 -0.20 0.00 -0.04 -1.26 -2.13 135.00 128.84 3k4t n PRO 61 Ca -0.09 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 3k4t n PRO 61 Cb 0.58 -1.72 0.21 0.00 -0.04 0.00 0.00 33.50 32.53 3k4t n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k4t h ASN 63 N 4.06 0.69 -1.03 0.00 4.21 -1.81 -3.36 115.58 118.35 3k4t h ASN 63 Ca 0.00 -0.87 0.36 0.00 1.21 0.00 0.00 56.30 57.00 3k4t h ASN 63 Cb 0.93 -0.23 -0.16 0.00 -1.12 0.00 0.00 38.32 37.75 3k4t h ASN 63 CO 0.00 1.71 0.58 0.50 -1.29 0.00 0.00 177.43 178.93 3k4t h LYS 64 N 0.12 0.21 0.05 0.81 3.64 -1.77 0.15 116.57 119.78 3k4t h LYS 64 Ca -0.29 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 58.83 3k4t h LYS 64 Cb 2.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.88 3k4t h LYS 64 CO 0.22 0.14 -1.23 1.49 -2.27 0.00 0.00 179.45 177.80 3k4t h GLU 65 N 0.21 0.11 0.21 1.90 4.81 -1.87 -2.93 114.58 117.02 3k4t h GLU 65 Ca 0.77 -0.19 -0.32 0.00 -0.13 0.00 0.00 59.36 59.49 3k4t h GLU 65 Cb 1.91 0.07 0.02 0.00 0.63 0.00 0.00 28.75 31.38 3k4t h GLU 65 CO -0.63 1.02 -1.48 0.82 -0.73 0.00 0.00 179.01 178.00 3k4t h ILE 66 N 0.03 1.26 0.00 2.32 2.04 -1.46 -3.25 117.51 118.45 3k4t h ILE 66 Ca -0.11 -2.76 -0.04 0.00 1.00 0.00 0.00 64.86 62.95 3k4t h ILE 66 Cb 1.89 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 40.92 3k4t h ILE 66 CO 0.15 0.84 -0.18 -0.07 0.00 0.00 0.00 178.15 178.88 3k4t h LEU 67 N 0.12 0.00 -1.07 1.44 3.38 -0.87 -2.94 115.31 115.36 3k4t h LEU 67 Ca -0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3k4t h LEU 67 Cb 2.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.85 3k4t h LEU 67 CO 0.24 0.18 -0.16 -0.33 0.09 0.00 0.00 178.44 178.46 3k4t h GLU 68 N 0.00 0.00 0.00 1.13 5.08 -1.55 -2.78 114.58 116.46 3k4t h GLU 68 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k4t h GLU 68 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3k4t h GLU 68 CO 0.02 0.16 -0.59 0.00 -1.00 0.00 0.00 179.01 177.60 3k4t n ALA 69 N -2.18 3.56 0.98 3.43 0.00 -1.11 -5.10 120.51 120.09 3k4t n ALA 69 Ca 0.01 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.20 3k4t n ALA 69 Cb 0.42 -1.09 0.10 0.00 0.00 0.00 0.00 19.45 18.88 3k4t n ALA 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78