#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp5 h ILE 5 N 0.00 0.99 -0.62 5.15 1.08 -2.05 -3.22 117.51 118.83 3kp5 h ILE 5 Ca 0.00 -2.80 0.13 0.00 -0.39 0.00 0.00 64.86 61.80 3kp5 h ILE 5 Cb 0.00 2.51 -0.04 0.00 -3.07 0.00 0.00 36.82 36.23 3kp5 h ILE 5 CO 0.00 0.61 0.42 1.05 -0.69 0.00 0.00 178.15 179.54 3kp5 h GLU 6 N 0.01 0.30 0.05 2.37 -0.00 -2.06 0.07 114.58 115.32 3kp5 h GLU 6 Ca -0.25 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 59.09 3kp5 h GLU 6 Cb 1.98 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 30.66 3kp5 h GLU 6 CO 0.09 0.20 -0.02 0.22 -0.00 0.00 0.00 179.01 179.50 3kp5 h ASP 7 N 0.30 -0.05 -0.34 3.06 3.58 -2.01 -2.75 116.42 118.20 3kp5 h ASP 7 Ca 0.29 -0.51 0.10 0.00 0.42 0.00 0.00 57.03 57.33 3kp5 h ASP 7 Cb 0.74 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 3kp5 h ASP 7 CO -0.07 0.51 0.26 0.45 -2.88 0.00 0.00 179.24 177.51 3kp5 h HIS 8 N -0.65 0.00 -0.21 0.28 3.86 -1.27 -0.50 115.15 116.66 3kp5 h HIS 8 Ca -0.01 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 3kp5 h HIS 8 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 3kp5 h HIS 8 CO 0.11 0.00 -0.62 0.82 0.86 0.00 0.00 177.93 179.10 3kp5 h ILE 9 N 0.00 1.30 -0.19 2.45 2.04 -0.97 -1.44 117.51 120.70 3kp5 h ILE 9 Ca 0.16 -1.84 -0.05 0.00 1.00 0.00 0.00 64.86 64.13 3kp5 h ILE 9 Cb 0.68 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3kp5 h ILE 9 CO -0.00 0.59 -0.06 0.28 0.00 0.00 0.00 178.15 178.95 3kp5 h SER 10 N 0.54 0.39 0.24 1.72 0.02 -0.83 -2.16 113.55 113.47 3kp5 h SER 10 Ca -0.01 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 3kp5 h SER 10 Cb 1.21 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3kp5 h SER 10 CO 0.13 0.68 -0.12 0.15 -1.14 0.00 0.00 176.83 176.53 3kp5 h PHE 11 N 0.09 -0.30 -0.94 3.45 3.57 -1.32 0.47 116.94 121.96 3kp5 h PHE 11 Ca 0.05 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.71 3kp5 h PHE 11 Cb 0.52 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.26 3kp5 h PHE 11 CO 0.06 -0.06 0.54 1.25 -2.23 0.00 0.00 178.31 177.86 3kp5 h LEU 12 N -0.51 0.69 -0.60 0.59 5.85 -1.31 1.86 115.31 121.88 3kp5 h LEU 12 Ca -0.03 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 3kp5 h LEU 12 Cb 0.38 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3kp5 h LEU 12 CO 0.06 0.27 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.83 3kp5 h GLU 13 N 0.72 0.83 -0.19 1.25 5.08 -1.03 0.96 114.58 122.20 3kp5 h GLU 13 Ca 0.53 -0.36 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 3kp5 h GLU 13 Cb 0.77 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3kp5 h GLU 13 CO -0.37 1.00 -0.48 -0.22 -1.00 0.00 0.00 179.01 177.94 3kp5 h LYS 14 N 0.72 0.67 -0.77 2.33 3.64 0.30 -0.18 116.57 123.28 3kp5 h LYS 14 Ca 0.09 -0.46 0.08 0.00 -1.27 0.00 0.00 60.65 59.09 3kp5 h LYS 14 Cb 0.80 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.62 3kp5 h LYS 14 CO 0.07 1.08 0.43 0.35 -2.27 0.00 0.00 179.45 179.11 3kp5 h PHE 15 N 0.36 0.78 -0.16 1.91 3.57 0.29 0.14 116.94 123.84 3kp5 h PHE 15 Ca -0.00 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.35 3kp5 h PHE 15 Cb 1.09 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 3kp5 h PHE 15 CO 0.09 0.33 -0.61 0.82 -2.23 0.00 0.00 178.31 176.71 3kp5 h ILE 16 N 0.74 1.33 -0.60 1.41 2.04 -0.72 -1.53 117.51 120.18 3kp5 h ILE 16 Ca 0.36 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.30 3kp5 h ILE 16 Cb 0.31 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3kp5 h ILE 16 CO -0.23 0.58 0.25 -1.13 0.00 0.00 0.00 178.15 177.63 3kp5 h ASN 17 N 0.41 0.82 -0.10 1.72 -1.24 0.27 -0.74 115.58 116.71 3kp5 h ASN 17 Ca -0.01 -0.16 -0.11 0.00 0.71 0.00 0.00 56.30 56.73 3kp5 h ASN 17 Cb 1.17 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 3kp5 h ASN 17 CO 0.11 0.75 -0.28 0.44 -1.29 0.00 0.00 177.43 177.17 3kp5 h ASP 18 N 0.83 0.57 -0.59 1.15 3.32 -0.67 0.13 116.42 121.15 3kp5 h ASP 18 Ca 0.20 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3kp5 h ASP 18 Cb 0.18 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3kp5 h ASP 18 CO -0.02 0.83 -0.05 0.58 -1.72 0.00 0.00 179.24 178.86 3kp5 h VAL 19 N 0.48 1.27 -0.44 -1.35 2.07 -0.89 -0.46 116.25 116.93 3kp5 h VAL 19 Ca 0.06 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 3kp5 h VAL 19 Cb 0.74 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3kp5 h VAL 19 CO 0.06 0.44 -0.09 0.78 0.02 0.00 0.00 177.57 178.78 3kp5 h ASN 20 N 0.96 0.83 0.31 0.57 2.35 -0.81 -1.54 115.58 118.26 3kp5 h ASN 20 Ca 0.16 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3kp5 h ASN 20 Cb 0.62 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3kp5 h ASN 20 CO 0.04 0.99 -0.26 0.74 -1.65 0.00 0.00 177.43 177.29 3kp5 h THR 21 N 0.66 0.45 -1.00 2.81 2.02 -0.48 -2.17 112.91 115.19 3kp5 h THR 21 Ca 0.11 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.41 3kp5 h THR 21 Cb 0.62 0.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.40 3kp5 h THR 21 CO 0.04 0.00 0.64 0.25 0.37 0.00 0.00 175.52 176.82 3kp5 h LEU 22 N -0.59 0.94 -0.84 2.58 5.85 -0.96 -0.00 115.31 122.30 3kp5 h LEU 22 Ca -0.02 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3kp5 h LEU 22 Cb 0.52 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3kp5 h LEU 22 CO -0.02 0.52 -0.40 0.74 -0.34 0.00 0.00 178.44 178.93 3kp5 h THR 23 N 1.02 0.91 -0.59 1.05 2.02 -1.14 -2.18 112.91 114.00 3kp5 h THR 23 Ca 0.49 -1.62 -0.09 0.00 0.77 0.00 0.00 66.41 65.95 3kp5 h THR 23 Cb 0.45 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 3kp5 h THR 23 CO -0.25 0.39 0.00 0.00 0.37 0.00 0.00 175.52 176.04 3kp5 h ALA 24 N 1.60 0.89 0.09 6.16 0.00 -0.35 -2.46 119.26 125.19 3kp5 h ALA 24 Ca -0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3kp5 h ALA 24 Cb 0.96 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.54 3kp5 h ALA 24 CO 0.05 0.66 -0.59 0.87 0.00 0.00 0.00 179.25 180.24 3kp5 h LYS 25 N 0.94 0.24 0.00 0.00 1.57 -1.24 -3.07 116.57 115.00 3kp5 h LYS 25 Ca 0.17 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3kp5 h LYS 25 Cb 0.54 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3kp5 h LYS 25 CO 0.03 1.16 0.00 1.28 -0.57 0.00 0.00 179.45 181.35 3kp5 n LEU 26 N -4.26 0.00 0.00 2.94 4.77 -0.83 -2.80 117.00 116.81 3kp5 n LEU 26 Ca -0.12 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3kp5 n LEU 26 Cb 0.72 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3kp5 n LEU 26 CO 0.45 -0.26 0.14 0.18 -1.33 0.00 0.00 177.39 176.57 3kp5 n LEU 27 N -1.37 0.58 0.26 2.23 4.77 -0.93 -4.79 117.00 117.75 3kp5 n LEU 27 Ca 0.03 -0.74 -0.17 0.00 -0.03 0.00 0.00 56.01 55.10 3kp5 n LEU 27 Cb 0.09 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 3kp5 n LEU 27 CO 0.08 0.14 0.57 0.50 -1.33 0.00 0.00 177.39 177.35 3kp5 h LYS 28 N 0.00 -0.86 -0.93 3.23 3.64 -1.42 -0.36 116.57 119.87 3kp5 h LYS 28 Ca 0.00 0.06 0.23 0.00 -1.27 0.00 0.00 60.65 59.67 3kp5 h LYS 28 Cb 0.03 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 31.92 3kp5 h LYS 28 CO 0.00 -0.57 0.46 -0.44 -2.27 0.00 0.00 179.45 176.63 3kp5 h ASP 29 N -0.89 0.44 -0.22 4.20 3.32 -1.87 0.14 116.42 121.54 3kp5 h ASP 29 Ca -0.04 0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 3kp5 h ASP 29 Cb 0.79 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3kp5 h ASP 29 CO -0.07 0.03 -0.45 0.25 -1.72 0.00 0.00 179.24 177.28 3kp5 h LEU 30 N 0.46 0.78 -0.57 1.55 5.85 -1.75 0.11 115.31 121.73 3kp5 h LEU 30 Ca 0.59 -0.55 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 3kp5 h LEU 30 Cb 1.12 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3kp5 h LEU 30 CO -0.51 1.18 -0.50 1.56 -0.34 0.00 0.00 178.44 179.83 3kp5 h GLN 31 N 0.41 0.56 -0.12 1.25 4.20 -0.28 -0.60 115.11 120.53 3kp5 h GLN 31 Ca 0.01 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3kp5 h GLN 31 Cb 1.05 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 3kp5 h GLN 31 CO 0.10 0.93 0.08 1.15 -0.67 0.00 0.00 178.83 180.41 3kp5 h THR 32 N 0.44 1.03 0.19 -0.54 2.02 -0.70 0.72 112.91 116.06 3kp5 h THR 32 Ca 0.02 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.16 3kp5 h THR 32 Cb 1.03 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 3kp5 h THR 32 CO 0.09 0.03 -0.42 -0.08 0.37 0.00 0.00 175.52 175.52 3kp5 h GLU 33 N 0.16 -0.67 -0.03 6.66 4.81 -0.17 0.14 114.58 125.47 3kp5 h GLU 33 Ca 0.04 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kp5 h GLU 33 Cb -0.02 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3kp5 h GLU 33 CO -0.01 -0.45 0.00 0.66 -0.73 0.00 0.00 179.01 178.48 3kp5 n TYR 34 N -5.47 0.00 -3.56 0.92 4.02 -0.29 -4.86 117.16 107.91 3kp5 n TYR 34 Ca -0.08 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.55 3kp5 n TYR 34 Cb 0.38 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.74 3kp5 n TYR 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kp5 n GLY 35 N 0.30 -0.51 3.49 2.72 0.00 0.48 -5.00 105.19 106.66 3kp5 n GLY 35 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3kp5 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kp5 s ILE 36 N -3.22 2.44 0.70 -0.61 -4.36 0.23 -4.98 121.20 111.40 3kp5 s ILE 36 Ca 0.53 -2.36 -0.07 0.00 -0.26 0.00 0.00 60.65 58.49 3kp5 s ILE 36 Cb -0.26 -2.38 0.05 0.00 1.25 0.00 0.00 42.46 41.13 3kp5 s ILE 36 CO 0.65 -0.36 1.02 -0.94 0.24 0.00 0.00 174.94 175.55 3kp5 s SER 37 N -3.53 4.90 0.13 4.36 1.04 -1.26 -4.18 113.70 115.16 3kp5 s SER 37 Ca 0.31 0.53 -0.16 0.00 0.48 0.00 0.00 55.95 57.11 3kp5 s SER 37 Cb -0.04 -1.21 -0.01 0.00 0.10 0.00 0.00 66.02 64.86 3kp5 s SER 37 CO 0.15 -1.55 1.65 0.00 0.98 0.00 0.00 173.24 174.48 3kp5 h ALA 38 N -0.58 0.53 -0.73 5.32 0.00 -1.99 -1.09 119.26 120.71 3kp5 h ALA 38 Ca -0.45 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.31 3kp5 h ALA 38 Cb 1.31 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3kp5 h ALA 38 CO 0.61 0.17 0.48 1.05 0.00 0.00 0.00 179.25 181.56 3kp5 h GLU 39 N 0.50 0.92 -0.51 0.00 9.09 -2.00 0.39 114.58 122.98 3kp5 h GLU 39 Ca 0.13 -0.06 -0.09 0.00 0.05 0.00 0.00 59.36 59.39 3kp5 h GLU 39 Cb 0.26 -0.21 -0.02 0.00 -1.65 0.00 0.00 28.75 27.13 3kp5 h GLU 39 CO -0.00 0.61 -0.05 1.96 0.05 0.00 0.00 179.01 181.57 3kp5 h GLN 40 N 0.95 0.91 0.56 1.06 4.20 -1.79 -2.46 115.11 118.53 3kp5 h GLN 40 Ca 0.28 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3kp5 h GLN 40 Cb -0.04 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.66 3kp5 h GLN 40 CO -0.07 0.93 -0.27 1.03 -0.67 0.00 0.00 178.83 179.78 3kp5 h SER 41 N 0.83 -0.64 -0.97 1.46 0.87 0.27 -2.47 113.55 112.90 3kp5 h SER 41 Ca 0.15 0.01 0.22 0.00 -1.23 0.00 0.00 61.79 60.94 3kp5 h SER 41 Cb 0.56 0.17 -0.12 0.00 -0.44 0.00 0.00 62.40 62.57 3kp5 h SER 41 CO 0.03 -0.43 0.55 -0.74 -0.53 0.00 0.00 176.83 175.71 3kp5 h HIS 42 N -0.79 0.94 -0.35 2.24 -0.00 -0.98 0.44 115.15 116.65 3kp5 h HIS 42 Ca -0.08 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 3kp5 h HIS 42 Cb 0.59 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.72 3kp5 h HIS 42 CO -0.03 0.08 0.17 0.28 -0.00 0.00 0.00 177.93 178.43 3kp5 h VAL 43 N 0.58 1.12 0.00 5.26 2.07 -1.03 -1.35 116.25 122.91 3kp5 h VAL 43 Ca 0.60 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.66 3kp5 h VAL 43 Cb 1.10 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3kp5 h VAL 43 CO -0.46 0.14 -0.54 -0.07 0.02 0.00 0.00 177.57 176.66 3kp5 h LEU 44 N 0.48 0.00 -0.52 2.57 3.38 0.28 -3.25 115.31 118.25 3kp5 h LEU 44 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 3kp5 h LEU 44 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3kp5 h LEU 44 CO -0.02 0.54 -0.55 -1.13 0.09 0.00 0.00 178.44 177.37 3kp5 h ASN 45 N 0.00 0.00 0.72 -0.43 -0.00 -0.44 -1.74 115.58 113.68 3kp5 h ASN 45 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 56.30 56.07 3kp5 h ASN 45 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.46 3kp5 h ASN 45 CO 0.07 0.55 -1.00 0.24 -0.00 0.00 0.00 177.43 177.29 3kp5 h MET 46 N 0.00 0.16 -0.00 6.67 0.00 -1.58 -2.84 114.93 117.33 3kp5 h MET 46 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 59.70 59.48 3kp5 h MET 46 Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 31.60 32.87 3kp5 h MET 46 CO 0.07 1.03 -0.03 1.28 0.00 0.00 0.00 176.91 179.26 3kp5 n LEU 47 N -3.54 0.33 0.10 1.22 4.77 -1.18 -1.99 117.00 116.71 3kp5 n LEU 47 Ca -0.04 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.77 3kp5 n LEU 47 Cb 0.90 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 41.75 3kp5 n LEU 47 CO 0.49 0.06 -0.05 0.77 -1.33 0.00 0.00 177.39 177.33 3kp5 h SER 48 N 0.47 0.41 0.04 -1.43 4.64 -1.06 -3.36 113.55 113.26 3kp5 h SER 48 Ca 0.00 -0.44 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3kp5 h SER 48 Cb 0.21 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3kp5 h SER 48 CO 0.00 1.35 -0.02 0.40 -0.87 0.00 0.00 176.83 177.69 3kp5 h ILE 49 N 0.07 0.00 -4.02 0.95 2.04 -1.51 -3.50 117.51 111.55 3kp5 h ILE 49 Ca -0.13 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 3kp5 h ILE 49 Cb 1.97 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.90 3kp5 h ILE 49 CO 0.20 0.00 -0.55 -1.83 0.00 0.00 0.00 178.15 175.97 3kp5 s GLU 50 N -1.59 0.67 -0.14 2.37 -1.05 -0.84 -5.13 118.70 112.99 3kp5 s GLU 50 Ca -0.01 -1.04 -0.09 0.00 -0.15 0.00 0.00 54.97 53.68 3kp5 s GLU 50 Cb 0.00 0.25 -0.05 0.00 -0.44 0.00 0.00 34.13 33.90 3kp5 s GLU 50 CO 0.02 -0.17 0.18 0.00 0.95 0.00 0.00 175.26 176.25 3kp5 s ALA 51 N -3.62 3.77 0.05 -0.84 0.00 -1.26 -3.63 121.76 116.23 3kp5 s ALA 51 Ca 0.04 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 3kp5 s ALA 51 Cb 0.05 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 3kp5 s ALA 51 CO -0.09 0.40 0.01 -0.48 0.00 0.00 0.00 175.76 175.59 3kp5 s LEU 52 N -0.41 2.30 0.00 0.00 2.34 -1.17 -4.98 118.68 116.76 3kp5 s LEU 52 Ca 0.14 -0.90 -0.13 0.00 0.06 0.00 0.00 54.13 53.30 3kp5 s LEU 52 Cb -0.12 0.33 0.17 0.00 -0.56 0.00 0.00 46.19 46.01 3kp5 s LEU 52 CO 0.03 -0.60 0.95 0.35 -1.06 0.00 0.00 176.35 176.02 3kp5 n THR 53 N 0.20 0.00 0.03 5.48 -2.24 -1.13 -4.52 114.28 112.10 3kp5 n THR 53 Ca -0.15 -0.66 -0.13 0.00 -2.27 0.00 0.00 64.05 60.85 3kp5 n THR 53 Cb 0.61 -1.57 -0.08 0.00 -2.10 0.00 0.00 70.33 67.19 3kp5 n THR 53 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3kp5 h VAL 54 N -1.70 1.15 -0.96 2.28 2.07 -1.95 -2.70 116.25 114.43 3kp5 h VAL 54 Ca -0.31 -0.55 0.18 0.00 0.82 0.00 0.00 66.70 66.84 3kp5 h VAL 54 Cb 0.88 1.51 -0.18 0.00 -1.52 0.00 0.00 31.29 31.98 3kp5 h VAL 54 CO 0.22 0.14 -0.26 0.61 0.02 0.00 0.00 177.57 178.30 3kp5 n GLY 55 N -0.46 -1.67 0.14 2.17 0.00 -1.26 -0.15 105.19 103.96 3kp5 n GLY 55 Ca -0.08 1.03 0.09 0.00 0.00 0.00 0.00 46.02 47.06 3kp5 n GLY 55 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kp5 h GLN 56 N 0.00 0.00 0.00 1.61 1.08 -1.96 -3.33 115.11 112.51 3kp5 h GLN 56 Ca 0.44 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.62 3kp5 h GLN 56 Cb 0.68 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3kp5 h GLN 56 CO -0.98 0.10 -0.08 0.97 -0.95 0.00 0.00 178.83 177.88 3kp5 h ILE 57 N 0.00 0.97 0.00 2.54 6.09 -0.19 -2.35 117.51 124.57 3kp5 h ILE 57 Ca -0.02 -0.29 -0.24 0.00 -1.37 0.00 0.00 64.86 62.94 3kp5 h ILE 57 Cb 1.13 1.16 -0.04 0.00 0.47 0.00 0.00 36.82 39.53 3kp5 h ILE 57 CO 0.01 0.08 -1.67 1.07 -3.07 0.00 0.00 178.15 174.58 3kp5 n THR 58 N -4.32 1.37 0.10 2.19 5.66 -1.04 -3.62 114.28 114.63 3kp5 n THR 58 Ca -0.03 -0.75 0.02 0.00 -3.05 0.00 0.00 64.05 60.24 3kp5 n THR 58 Cb 0.16 -0.83 0.38 0.00 -1.55 0.00 0.00 70.33 68.49 3kp5 n THR 58 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3kp5 h GLU 59 N 0.00 0.28 0.03 1.09 4.81 -1.53 -1.57 114.58 117.68 3kp5 h GLU 59 Ca -0.26 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3kp5 h GLU 59 Cb 1.84 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.18 3kp5 h GLU 59 CO 0.06 0.40 -0.01 0.87 -0.73 0.00 0.00 179.01 179.60 3kp5 h LYS 60 N 0.27 -0.03 0.00 1.92 1.57 -1.65 -3.41 116.57 115.24 3kp5 h LYS 60 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kp5 h LYS 60 Cb 0.36 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3kp5 h LYS 60 CO 0.02 0.68 0.00 1.04 -0.57 0.00 0.00 179.45 180.62 3kp5 n GLN 61 N -4.72 0.00 0.00 3.15 1.13 -1.09 -4.96 117.38 110.89 3kp5 n GLN 61 Ca -0.08 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 3kp5 n GLN 61 Cb 0.35 -0.61 0.00 0.00 0.11 0.00 0.00 30.24 30.09 3kp5 n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kp5 n GLY 62 N -0.16 1.43 3.65 1.08 0.00 -0.61 -5.08 105.19 105.49 3kp5 n GLY 62 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3kp5 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp5 s VAL 63 N -0.73 3.90 0.00 1.61 1.01 -1.26 -4.97 120.40 119.95 3kp5 s VAL 63 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.06 3kp5 s VAL 63 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3kp5 s VAL 63 CO 0.00 -0.14 0.00 0.59 0.00 0.00 0.00 175.10 175.55 3kp5 n ASN 64 N 7.11 0.00 -4.52 3.32 4.13 -1.26 -4.72 115.26 119.32 3kp5 n ASN 64 Ca 0.16 0.00 -0.59 0.00 1.68 0.00 0.00 54.58 55.83 3kp5 n ASN 64 Cb 0.44 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.59 3kp5 n ASN 64 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3kp5 n LYS 65 N 0.00 0.57 -0.12 3.52 4.76 -1.26 -3.44 118.16 122.19 3kp5 n LYS 65 Ca 0.00 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3kp5 n LYS 65 Cb 0.00 -1.89 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 3kp5 n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kp5 n ALA 66 N 6.73 0.00 -0.19 7.82 0.00 -1.26 -4.73 120.51 128.88 3kp5 n ALA 66 Ca 0.39 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.94 3kp5 n ALA 66 Cb 0.06 -0.48 0.41 0.00 0.00 0.00 0.00 19.45 19.45 3kp5 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kp5 h ALA 67 N 0.00 1.87 -0.02 0.00 0.00 -1.87 -2.46 119.26 116.79 3kp5 h ALA 67 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kp5 h ALA 67 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kp5 h ALA 67 CO 0.00 -0.04 -0.05 0.28 0.00 0.00 0.00 179.25 179.44 3kp5 h VAL 68 N 0.62 1.47 -0.40 0.00 2.07 -1.85 -3.07 116.25 115.09 3kp5 h VAL 68 Ca 0.36 -1.47 0.12 0.00 0.82 0.00 0.00 66.70 66.52 3kp5 h VAL 68 Cb 0.55 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3kp5 h VAL 68 CO -0.13 0.39 0.34 -1.28 0.02 0.00 0.00 177.57 176.91 3kp5 h SER 69 N -0.52 0.00 0.55 0.57 0.87 -1.87 0.34 113.55 113.49 3kp5 h SER 69 Ca -0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 3kp5 h SER 69 Cb 0.66 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 3kp5 h SER 69 CO 0.01 0.00 -0.61 0.03 -0.53 0.00 0.00 176.83 175.73 3kp5 h ARG 70 N 0.00 0.06 -0.01 2.24 3.08 -1.36 -2.02 114.38 116.36 3kp5 h ARG 70 Ca 0.19 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.97 3kp5 h ARG 70 Cb 0.87 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3kp5 h ARG 70 CO -0.00 0.65 -0.92 0.00 -1.07 0.00 0.00 179.97 178.62 3kp5 h ARG 71 N 0.04 0.45 -0.06 0.04 -0.00 -0.31 -2.61 114.38 111.93 3kp5 h ARG 71 Ca -0.01 -0.47 -0.00 0.00 -0.50 0.00 0.00 59.98 59.00 3kp5 h ARG 71 Cb 1.08 0.13 -0.00 0.00 0.00 0.00 0.00 29.97 31.18 3kp5 h ARG 71 CO 0.08 1.12 0.03 0.28 0.00 0.00 0.00 179.97 181.49 3kp5 h VAL 72 N 0.26 1.08 0.00 2.04 2.07 -0.98 -0.26 116.25 120.46 3kp5 h VAL 72 Ca -0.08 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 3kp5 h VAL 72 Cb 1.55 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3kp5 h VAL 72 CO 0.16 0.07 -0.34 0.11 0.02 0.00 0.00 177.57 177.59 3kp5 h LYS 73 N 0.01 0.00 -0.48 1.57 6.56 -1.45 0.72 116.57 123.50 3kp5 h LYS 73 Ca 0.02 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.53 3kp5 h LYS 73 Cb 0.08 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 3kp5 h LYS 73 CO -0.00 0.34 -0.01 0.87 -2.06 0.00 0.00 179.45 178.59 3kp5 h LYS 74 N 0.00 0.86 0.00 3.15 1.79 -1.05 -2.12 116.57 119.20 3kp5 h LYS 74 Ca -0.00 -0.28 -0.13 0.00 -2.18 0.00 0.00 60.65 58.06 3kp5 h LYS 74 Cb 0.81 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 3kp5 h LYS 74 CO 0.04 0.90 -0.60 -0.07 -1.08 0.00 0.00 179.45 178.65 3kp5 h LEU 75 N 0.72 0.00 -0.69 2.94 3.38 -0.64 -3.07 115.31 117.94 3kp5 h LEU 75 Ca 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3kp5 h LEU 75 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3kp5 h LEU 75 CO 0.03 0.60 -0.16 -0.07 0.09 0.00 0.00 178.44 178.93 3kp5 h LEU 76 N 0.00 0.85 -2.03 1.67 3.38 -0.66 -1.92 115.31 116.60 3kp5 h LEU 76 Ca -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3kp5 h LEU 76 Cb 1.24 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3kp5 h LEU 76 CO 0.08 1.00 -0.04 0.78 0.09 0.00 0.00 178.44 180.35 3kp5 h ASN 77 N 0.75 0.00 -0.11 -0.43 2.35 -1.29 -1.80 115.58 115.06 3kp5 h ASN 77 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3kp5 h ASN 77 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3kp5 h ASN 77 CO 0.05 0.04 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 3kp5 n ALA 78 N -2.14 2.48 -1.71 -0.83 0.00 -1.14 -4.91 120.51 112.27 3kp5 n ALA 78 Ca -0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 53.44 52.67 3kp5 n ALA 78 Cb 0.22 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 3kp5 n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kp5 n GLU 79 N 1.01 -0.66 0.05 0.00 1.02 -0.68 -4.90 120.64 116.48 3kp5 n GLU 79 Ca 0.16 0.62 0.02 0.00 -0.02 0.00 0.00 57.16 57.95 3kp5 n GLU 79 Cb 0.52 -4.56 -0.06 0.00 -0.02 0.00 0.00 31.44 27.32 3kp5 n GLU 79 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3kp5 h LEU 80 N 0.00 0.00 -7.92 -4.62 3.38 -1.55 -3.41 115.31 101.19 3kp5 h LEU 80 Ca -0.20 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.33 3kp5 h LEU 80 Cb 0.86 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.29 3kp5 h LEU 80 CO 0.26 0.46 -0.79 -0.69 0.09 0.00 0.00 178.44 177.77 3kp5 s VAL 81 N -3.01 0.81 0.02 1.22 1.01 -1.07 -2.32 120.40 117.06 3kp5 s VAL 81 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3kp5 s VAL 81 Cb 0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3kp5 s VAL 81 CO 0.80 0.27 0.09 -0.54 0.00 0.00 0.00 175.10 175.72 3kp5 s LYS 82 N 0.50 3.06 0.70 2.72 1.02 -1.26 -4.41 119.74 122.06 3kp5 s LYS 82 Ca -0.08 -0.53 -0.13 0.00 0.02 0.00 0.00 55.97 55.25 3kp5 s LYS 82 Cb -0.12 -2.85 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 3kp5 s LYS 82 CO 0.01 0.63 1.10 -0.51 -0.92 0.00 0.00 175.35 175.66 3kp5 s LEU 83 N -1.94 3.27 0.00 3.17 1.43 -1.26 0.44 118.68 123.79 3kp5 s LEU 83 Ca 0.25 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 3kp5 s LEU 83 Cb -0.12 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.56 3kp5 s LEU 83 CO 0.17 -1.78 0.00 -0.38 0.23 0.00 0.00 176.35 174.59 3kp5 n ILE 96 N -2.80 0.00 -2.29 -0.59 5.41 -1.26 -4.81 119.36 113.02 3kp5 n ILE 96 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.84 3kp5 n ILE 96 Cb 0.52 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.45 3kp5 n ILE 96 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3kp5 n ILE 97 N 0.00 -6.64 0.00 1.39 -5.35 -1.26 -2.82 119.36 104.69 3kp5 n ILE 97 Ca 0.00 1.53 0.00 0.00 -0.27 0.00 0.00 62.75 64.01 3kp5 n ILE 97 Cb 0.00 -3.88 0.00 0.00 -1.74 0.00 0.00 39.64 34.02 3kp5 n ILE 97 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 3kp5 n LYS 98 N 1.97 0.00 -3.81 6.28 2.85 0.17 -3.01 118.16 122.61 3kp5 n LYS 98 Ca -0.04 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.10 3kp5 n LYS 98 Cb 0.06 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.33 3kp5 n LYS 98 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3kp5 s LEU 99 N 0.00 1.15 0.00 -5.58 1.98 -1.26 -4.45 118.68 110.53 3kp5 s LEU 99 Ca 0.00 0.16 0.02 0.00 -2.89 0.00 0.00 54.13 51.42 3kp5 s LEU 99 Cb 0.00 0.91 0.07 0.00 0.66 0.00 0.00 46.19 47.84 3kp5 s LEU 99 CO 0.00 -0.28 0.52 -1.20 -1.89 0.00 0.00 176.35 173.50 3kp5 n SER 100 N 2.00 0.96 0.08 3.68 7.64 -0.98 -4.52 113.62 122.48 3kp5 n SER 100 Ca -0.18 -1.75 -0.08 0.00 1.01 0.00 0.00 58.87 57.86 3kp5 n SER 100 Cb 0.57 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.36 3kp5 n SER 100 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3kp5 h ASN 101 N -0.17 0.10 0.39 6.43 -0.00 -1.88 -2.16 115.58 118.29 3kp5 h ASN 101 Ca -0.17 -0.10 -0.11 0.00 -0.00 0.00 0.00 56.30 55.92 3kp5 h ASN 101 Cb 0.71 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.98 3kp5 h ASN 101 CO 0.21 1.03 -0.48 0.50 -0.00 0.00 0.00 177.43 178.69 3kp5 h LYS 102 N 0.02 0.11 -0.06 6.67 3.64 -1.88 -2.93 116.57 122.14 3kp5 h LYS 102 Ca -0.03 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.07 3kp5 h LYS 102 Cb 1.72 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.55 3kp5 h LYS 102 CO 0.14 0.57 -0.86 0.78 -2.27 0.00 0.00 179.45 177.80 3kp5 h GLY 103 N 1.40 0.62 0.64 5.01 0.00 -1.65 -3.25 103.07 105.83 3kp5 h GLY 103 Ca 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 47.33 46.43 3kp5 h GLY 103 CO 0.07 0.87 0.40 0.50 0.00 0.00 0.00 176.54 178.38 3kp5 h LYS 104 N 0.35 0.71 -0.05 4.80 1.57 -1.21 -2.59 116.57 120.16 3kp5 h LYS 104 Ca -0.07 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3kp5 h LYS 104 Cb 1.48 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 3kp5 h LYS 104 CO 0.16 0.47 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.16 3kp5 h LYS 105 N 0.73 -0.18 0.08 3.15 1.63 -1.58 -0.80 116.57 119.60 3kp5 h LYS 105 Ca 0.33 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.15 3kp5 h LYS 105 Cb 0.23 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 3kp5 h LYS 105 CO -0.20 -0.12 -0.45 -0.92 -3.45 0.00 0.00 179.45 174.30 3kp5 h TYR 106 N -0.19 -1.31 -0.59 1.91 3.20 -1.52 0.27 116.97 118.74 3kp5 h TYR 106 Ca 0.06 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.09 3kp5 h TYR 106 Cb 0.27 0.56 -0.10 0.00 1.54 0.00 0.00 36.73 39.00 3kp5 h TYR 106 CO -0.21 -0.50 -0.02 0.82 -1.64 0.00 0.00 178.16 176.61 3kp5 h ILE 107 N -0.63 0.50 0.03 1.81 5.03 -1.36 1.30 117.51 124.19 3kp5 h ILE 107 Ca -0.00 -0.03 0.03 0.00 -0.12 0.00 0.00 64.86 64.73 3kp5 h ILE 107 Cb 0.64 0.39 -0.04 0.00 -3.03 0.00 0.00 36.82 34.78 3kp5 h ILE 107 CO -0.26 0.02 -0.28 0.11 -0.68 0.00 0.00 178.15 177.06 3kp5 h LYS 108 N 0.10 -0.42 -0.88 2.37 1.57 -0.51 1.05 116.57 119.85 3kp5 h LYS 108 Ca 0.31 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.16 3kp5 h LYS 108 Cb 0.49 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3kp5 h LYS 108 CO -0.52 -0.28 0.56 1.49 -0.57 0.00 0.00 179.45 180.12 3kp5 h GLU 109 N -0.44 1.01 0.21 3.15 4.81 0.16 0.42 114.58 123.91 3kp5 h GLU 109 Ca 0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3kp5 h GLU 109 Cb 0.51 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3kp5 h GLU 109 CO -0.22 0.67 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.51 3kp5 h ARG 110 N 1.04 -0.32 -0.96 1.92 2.43 0.31 -2.80 114.38 116.00 3kp5 h ARG 110 Ca 0.37 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.61 3kp5 h ARG 110 Cb 0.10 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 3kp5 h ARG 110 CO -0.15 -0.21 0.62 0.87 -1.51 0.00 0.00 179.97 179.59 3kp5 h LYS 111 N -0.33 1.13 -0.68 0.20 1.79 0.19 -1.52 116.57 117.34 3kp5 h LYS 111 Ca -0.02 -0.07 0.09 0.00 -2.18 0.00 0.00 60.65 58.47 3kp5 h LYS 111 Cb 0.28 -0.25 -0.07 0.00 -1.58 0.00 0.00 32.23 30.61 3kp5 h LYS 111 CO 0.02 0.75 0.34 0.00 -1.08 0.00 0.00 179.45 179.47 3kp5 h ALA 112 N 1.42 0.93 -0.02 3.86 0.00 -0.74 0.81 119.26 125.51 3kp5 h ALA 112 Ca 0.40 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 3kp5 h ALA 112 Cb 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kp5 h ALA 112 CO -0.15 -0.06 -0.02 0.82 0.00 0.00 0.00 179.25 179.85 3kp5 h ILE 113 N 0.58 1.38 -0.69 0.00 2.04 -1.15 -2.42 117.51 117.25 3kp5 h ILE 113 Ca 0.33 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 65.07 3kp5 h ILE 113 Cb 0.34 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 3kp5 h ILE 113 CO -0.26 0.31 0.42 0.24 0.00 0.00 0.00 178.15 178.86 3kp5 h MET 114 N -0.42 0.79 0.19 2.37 2.86 -1.02 -2.98 114.93 116.72 3kp5 h MET 114 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3kp5 h MET 114 Cb 0.51 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3kp5 h MET 114 CO 0.00 0.53 -0.09 0.77 1.06 0.00 0.00 176.91 179.18 3kp5 h SER 115 N 0.82 -0.21 -0.63 1.22 0.02 -0.89 -2.02 113.55 111.86 3kp5 h SER 115 Ca 0.28 -0.30 0.13 0.00 -0.84 0.00 0.00 61.79 61.07 3kp5 h SER 115 Cb 0.06 0.05 -0.12 0.00 0.14 0.00 0.00 62.40 62.53 3kp5 h SER 115 CO -0.12 0.23 -0.09 0.45 -1.14 0.00 0.00 176.83 176.16 3kp5 h HIS 116 N -0.72 -0.20 -0.48 3.45 -0.00 -1.45 0.26 115.15 116.01 3kp5 h HIS 116 Ca -0.03 0.05 -0.13 0.00 -0.00 0.00 0.00 60.37 60.27 3kp5 h HIS 116 Cb 0.50 0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 3kp5 h HIS 116 CO 0.06 -0.23 -0.21 0.82 -0.00 0.00 0.00 177.93 178.36 3kp5 h ILE 117 N 0.05 1.27 -0.12 2.45 1.08 -1.58 -1.33 117.51 119.33 3kp5 h ILE 117 Ca 0.32 -1.38 -0.11 0.00 -0.39 0.00 0.00 64.86 63.30 3kp5 h ILE 117 Cb 0.51 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 3kp5 h ILE 117 CO -0.61 0.48 -0.42 0.00 -0.69 0.00 0.00 178.15 176.91 3kp5 h ALA 118 N 0.87 1.07 0.37 1.87 0.00 -0.56 -2.36 119.26 120.51 3kp5 h ALA 118 Ca 0.11 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3kp5 h ALA 118 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kp5 h ALA 118 CO 0.07 0.60 -0.18 1.03 0.00 0.00 0.00 179.25 180.77 3kp5 h SER 119 N 0.23 -0.42 0.00 0.00 0.87 -0.44 -2.57 113.55 111.21 3kp5 h SER 119 Ca 0.02 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3kp5 h SER 119 Cb 0.84 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3kp5 h SER 119 CO 0.07 0.02 0.05 0.47 -0.53 0.00 0.00 176.83 176.91 3kp5 n ASP 120 N -5.11 0.00 -0.00 6.23 10.43 -0.51 0.50 116.55 128.09 3kp5 n ASP 120 Ca -0.07 0.14 0.04 0.00 2.57 0.00 0.00 54.79 57.47 3kp5 n ASP 120 Cb 0.21 -0.14 -0.04 0.00 1.84 0.00 0.00 41.12 42.98 3kp5 n ASP 120 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 3kp5 n MET 121 N -1.06 4.10 0.00 -1.24 1.56 -0.89 -4.58 117.12 115.00 3kp5 n MET 121 Ca 0.00 -0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 3kp5 n MET 121 Cb 0.05 -0.89 0.00 0.00 2.15 0.00 0.00 33.22 34.53 3kp5 n MET 121 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 3kp5 n THR 122 N -1.24 0.00 0.09 1.12 5.66 0.18 -4.81 114.28 115.29 3kp5 n THR 122 Ca 0.01 -0.42 0.05 0.00 -3.05 0.00 0.00 64.05 60.63 3kp5 n THR 122 Cb 0.13 0.95 0.25 0.00 -1.55 0.00 0.00 70.33 70.10 3kp5 n THR 122 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3kp5 n SER 123 N -0.97 0.23 -0.63 1.09 3.41 0.68 -1.63 113.62 115.81 3kp5 n SER 123 Ca 0.00 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 3kp5 n SER 123 Cb 0.00 -0.50 0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3kp5 n SER 123 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kp5 n ASP 124 N -1.79 2.31 -4.89 4.04 5.68 -1.26 -4.97 116.55 115.67 3kp5 n ASP 124 Ca -0.01 -1.65 -0.30 0.00 -0.50 0.00 0.00 54.79 52.33 3kp5 n ASP 124 Cb 0.19 0.32 0.04 0.00 -1.14 0.00 0.00 41.12 40.52 3kp5 n ASP 124 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3kp5 s PHE 125 N -2.26 3.38 -0.22 2.11 0.40 -0.64 -5.04 117.98 115.71 3kp5 s PHE 125 Ca 0.21 1.02 -0.14 0.00 -0.60 0.00 0.00 56.93 57.42 3kp5 s PHE 125 Cb 0.18 -2.92 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 3kp5 s PHE 125 CO 0.47 -1.00 0.34 0.34 0.70 0.00 0.00 175.22 176.07 3kp5 s ASP 126 N -4.31 6.33 0.27 1.36 2.15 -1.26 -4.96 116.67 116.24 3kp5 s ASP 126 Ca 0.56 0.38 0.10 0.00 0.43 0.00 0.00 52.55 54.02 3kp5 s ASP 126 Cb -0.11 -2.20 0.85 0.00 -0.30 0.00 0.00 42.92 41.16 3kp5 s ASP 126 CO 0.51 -0.06 1.24 -1.54 -0.17 0.00 0.00 175.17 175.14 3kp5 n SER 127 N 4.58 0.11 0.02 -0.34 3.41 -1.26 0.19 113.62 120.32 3kp5 n SER 127 Ca -0.10 1.32 -0.11 0.00 -0.26 0.00 0.00 58.87 59.72 3kp5 n SER 127 Cb 0.51 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 3kp5 n SER 127 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3kp5 h LYS 128 N 0.00 -0.06 -0.11 4.33 3.11 -1.99 -1.92 116.57 119.93 3kp5 h LYS 128 Ca 0.58 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.47 3kp5 h LYS 128 Cb 1.41 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 32.59 3kp5 h LYS 128 CO -0.67 -0.04 -0.36 0.93 -2.81 0.00 0.00 179.45 176.50 3kp5 h GLU 129 N -0.06 -0.44 0.04 1.90 5.08 0.16 -1.70 114.58 119.56 3kp5 h GLU 129 Ca 0.04 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3kp5 h GLU 129 Cb 0.12 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3kp5 h GLU 129 CO -0.10 -0.29 -0.12 0.82 -1.00 0.00 0.00 179.01 178.32 3kp5 h ILE 130 N -0.45 0.71 -0.63 3.13 1.08 -1.38 -2.83 117.51 117.14 3kp5 h ILE 130 Ca 0.08 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.68 3kp5 h ILE 130 Cb 0.59 0.71 -0.10 0.00 -3.07 0.00 0.00 36.82 34.95 3kp5 h ILE 130 CO -0.36 0.00 0.10 -0.33 -0.69 0.00 0.00 178.15 176.87 3kp5 h GLU 131 N -0.22 0.21 -0.39 2.37 5.08 -1.17 0.17 114.58 120.63 3kp5 h GLU 131 Ca 0.03 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3kp5 h GLU 131 Cb 0.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3kp5 h GLU 131 CO -0.09 0.14 0.26 -0.22 -1.00 0.00 0.00 179.01 178.10 3kp5 h LYS 132 N 0.21 0.49 -0.28 2.33 1.63 -1.13 0.13 116.57 119.95 3kp5 h LYS 132 Ca 0.34 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 60.02 3kp5 h LYS 132 Cb 0.53 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3kp5 h LYS 132 CO -0.46 0.33 -0.15 0.28 -3.45 0.00 0.00 179.45 175.99 3kp5 h VAL 133 N 0.51 1.30 0.37 2.00 2.07 -0.49 -2.56 116.25 119.45 3kp5 h VAL 133 Ca 0.15 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3kp5 h VAL 133 Cb -0.03 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3kp5 h VAL 133 CO -0.03 0.40 -0.18 -0.09 0.02 0.00 0.00 177.57 177.68 3kp5 h ARG 134 N 0.34 -0.48 -0.64 1.57 9.65 -0.20 -0.84 114.38 123.78 3kp5 h ARG 134 Ca 0.06 0.03 0.18 0.00 -1.10 0.00 0.00 59.98 59.15 3kp5 h ARG 134 Cb 0.67 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.33 3kp5 h ARG 134 CO 0.04 -0.30 0.46 1.96 2.80 0.00 0.00 179.97 184.93 3kp5 h GLN 135 N -0.53 0.04 0.01 0.20 4.20 -0.78 1.09 115.11 119.33 3kp5 h GLN 135 Ca -0.05 -0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.41 3kp5 h GLN 135 Cb 0.40 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 3kp5 h GLN 135 CO 0.08 0.03 -1.29 0.28 -0.67 0.00 0.00 178.83 177.26 3kp5 h VAL 136 N 0.04 1.37 0.08 -0.54 2.07 -1.09 -2.77 116.25 115.41 3kp5 h VAL 136 Ca 0.31 -3.13 -0.26 0.00 0.82 0.00 0.00 66.70 64.44 3kp5 h VAL 136 Cb 1.17 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 3kp5 h VAL 136 CO -0.02 0.79 -1.22 -0.07 0.02 0.00 0.00 177.57 177.07 3kp5 h LEU 137 N 0.00 0.26 0.42 2.57 3.38 0.49 -2.67 115.31 119.75 3kp5 h LEU 137 Ca -0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3kp5 h LEU 137 Cb 1.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.54 3kp5 h LEU 137 CO 0.11 1.23 -0.20 -0.33 0.09 0.00 0.00 178.44 179.34 3kp5 h GLU 138 N 0.04 -0.54 -0.76 1.13 5.08 0.10 -0.63 114.58 119.00 3kp5 h GLU 138 Ca -0.11 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3kp5 h GLU 138 Cb 1.91 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 31.23 3kp5 h GLU 138 CO 0.17 -0.29 0.50 0.97 -1.00 0.00 0.00 179.01 179.35 3kp5 h ILE 139 N -0.69 0.91 -0.06 3.13 2.10 -1.55 0.92 117.51 122.26 3kp5 h ILE 139 Ca -0.06 -0.22 -0.14 0.00 1.08 0.00 0.00 64.86 65.53 3kp5 h ILE 139 Cb 0.50 0.22 -0.01 0.00 -1.09 0.00 0.00 36.82 36.44 3kp5 h ILE 139 CO 0.09 0.12 -0.57 0.40 -1.08 0.00 0.00 178.15 177.11 3kp5 h ILE 140 N 0.63 1.38 0.00 2.19 2.04 -1.30 -2.32 117.51 120.14 3kp5 h ILE 140 Ca 0.36 -1.92 -0.14 0.00 1.00 0.00 0.00 64.86 64.16 3kp5 h ILE 140 Cb 0.53 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 3kp5 h ILE 140 CO -0.13 0.56 -0.68 -0.78 0.00 0.00 0.00 178.15 177.12 3kp5 h ASP 141 N 0.15 0.00 -0.49 1.72 -0.00 0.65 -1.23 116.42 117.24 3kp5 h ASP 141 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 56.92 3kp5 h ASP 141 Cb 1.05 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.37 3kp5 h ASP 141 CO 0.09 0.68 -0.12 0.22 -0.00 0.00 0.00 179.24 180.11 3kp5 h TYR 142 N 0.00 1.08 0.04 0.28 3.20 -0.62 -2.28 116.97 118.67 3kp5 h TYR 142 Ca -0.01 -0.22 -0.23 0.00 3.14 0.00 0.00 58.73 61.41 3kp5 h TYR 142 Cb 1.21 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 3kp5 h TYR 142 CO 0.00 1.02 -1.02 0.00 -1.64 0.00 0.00 178.16 176.52 3kp5 h ARG 143 N 0.86 0.27 0.67 1.82 3.08 -1.27 -2.65 114.38 117.16 3kp5 h ARG 143 Ca 0.13 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3kp5 h ARG 143 Cb 0.67 0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.83 3kp5 h ARG 143 CO 0.05 1.08 -0.32 0.82 -1.07 0.00 0.00 179.97 180.53 3kp5 h ILE 144 N 0.13 0.00 -0.40 2.04 2.04 -1.08 0.32 117.51 120.55 3kp5 h ILE 144 Ca -0.08 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.86 3kp5 h ILE 144 Cb 1.69 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.68 3kp5 h ILE 144 CO 0.16 0.00 -0.19 1.56 0.00 0.00 0.00 178.15 179.69 3kp5 h GLN 145 N -0.91 -0.11 -0.76 2.37 4.20 -1.53 0.80 115.11 119.17 3kp5 h GLN 145 Ca -0.09 0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.82 3kp5 h GLN 145 Cb 0.69 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 3kp5 h GLN 145 CO 0.15 -0.07 0.52 0.66 -0.67 0.00 0.00 178.83 179.42 3kp5 h SER 146 N -0.11 0.17 0.19 1.46 4.64 -1.36 1.06 113.55 119.59 3kp5 h SER 146 Ca 0.20 0.01 -0.31 0.00 -0.47 0.00 0.00 61.79 61.22 3kp5 h SER 146 Cb 0.41 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3kp5 h SER 146 CO -0.47 0.08 -1.46 0.22 -0.87 0.00 0.00 176.83 174.32 3kp5 h TYR 147 N 0.18 0.74 0.45 4.77 5.03 0.16 -3.06 116.97 125.23 3kp5 h TYR 147 Ca 0.37 -0.54 -0.01 0.00 2.58 0.00 0.00 58.73 61.13 3kp5 h TYR 147 Cb 1.20 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 3kp5 h TYR 147 CO -0.00 1.57 -0.32 1.15 -1.32 0.00 0.00 178.16 179.23 3kp5 h THR 148 N -0.02 0.34 -0.88 1.81 2.02 0.26 -2.50 112.91 113.93 3kp5 h THR 148 Ca -0.28 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.14 3kp5 h THR 148 Cb 2.00 0.34 -0.15 0.00 -1.74 0.00 0.00 68.15 68.60 3kp5 h THR 148 CO 0.19 0.00 0.14 0.77 0.37 0.00 0.00 175.52 176.99 3kp5 h SER 149 N -0.75 -0.20 0.00 4.18 4.64 0.95 0.40 113.55 122.76 3kp5 h SER 149 Ca -0.05 0.22 -0.40 0.00 -0.47 0.00 0.00 61.79 61.10 3kp5 h SER 149 Cb 0.64 0.34 0.02 0.00 -0.31 0.00 0.00 62.40 63.08 3kp5 h SER 149 CO 0.02 -0.22 2.63 0.29 -0.87 0.00 0.00 176.83 178.67 3kp5 n LYS 150 N -5.32 2.23 0.00 4.77 4.01 -0.94 -5.09 118.16 117.81 3kp5 n LYS 150 Ca 0.21 -1.50 0.00 0.00 -0.51 0.00 0.00 58.31 56.51 3kp5 n LYS 150 Cb 0.67 -2.46 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 3kp5 n LYS 150 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18