#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp2 n GLU 6 N 0.00 4.50 0.00 6.28 1.02 -1.26 -4.63 120.64 126.56 3kp2 n GLU 6 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 3kp2 n GLU 6 Cb 0.00 -0.41 0.61 0.00 -0.02 0.00 0.00 31.44 31.62 3kp2 n GLU 6 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3kp2 n ASP 7 N -0.04 0.02 0.12 1.62 5.68 -1.26 -1.74 116.55 120.95 3kp2 n ASP 7 Ca 0.00 0.48 -0.19 0.00 -0.50 0.00 0.00 54.79 54.58 3kp2 n ASP 7 Cb 0.00 -0.48 -0.14 0.00 -1.14 0.00 0.00 41.12 39.35 3kp2 n ASP 7 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3kp2 h HIS 8 N 0.00 0.67 -0.25 2.11 3.86 -1.99 -1.47 115.15 118.08 3kp2 h HIS 8 Ca 0.00 -0.48 -0.06 0.00 -1.16 0.00 0.00 60.37 58.67 3kp2 h HIS 8 Cb 0.50 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3kp2 h HIS 8 CO 0.00 1.37 -0.07 0.82 0.86 0.00 0.00 177.93 180.91 3kp2 h ILE 9 N 0.11 1.29 -0.68 2.45 1.08 -1.70 -1.54 117.51 118.52 3kp2 h ILE 9 Ca -0.17 -1.09 -0.02 0.00 -0.39 0.00 0.00 64.86 63.19 3kp2 h ILE 9 Cb 2.02 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 37.22 3kp2 h ILE 9 CO 0.23 0.34 0.35 0.28 -0.69 0.00 0.00 178.15 178.66 3kp2 h SER 10 N 0.23 0.87 -0.64 1.72 0.02 -1.33 -2.22 113.55 112.21 3kp2 h SER 10 Ca 0.06 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3kp2 h SER 10 Cb 0.54 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3kp2 h SER 10 CO 0.03 0.74 0.33 0.15 -1.14 0.00 0.00 176.83 176.93 3kp2 h PHE 11 N 0.94 0.90 -0.45 3.45 3.57 -1.15 -1.37 116.94 122.83 3kp2 h PHE 11 Ca 0.24 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3kp2 h PHE 11 Cb 0.08 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3kp2 h PHE 11 CO -0.00 0.66 0.21 1.25 -2.23 0.00 0.00 178.31 178.20 3kp2 h LEU 12 N 0.87 0.56 -0.51 0.59 5.85 -0.99 0.83 115.31 122.52 3kp2 h LEU 12 Ca 0.22 -0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 3kp2 h LEU 12 Cb 0.08 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3kp2 h LEU 12 CO -0.03 0.48 -0.61 -0.33 -0.34 0.00 0.00 178.44 177.61 3kp2 h GLU 13 N 0.63 0.46 -0.30 1.25 5.08 -0.94 -0.74 114.58 120.02 3kp2 h GLU 13 Ca 0.16 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 3kp2 h GLU 13 Cb 0.07 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3kp2 h GLU 13 CO -0.02 0.93 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.55 3kp2 h LYS 14 N 0.34 0.63 -0.57 2.33 3.64 -0.53 -1.56 116.57 120.85 3kp2 h LYS 14 Ca -0.01 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3kp2 h LYS 14 Cb 1.16 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 3kp2 h LYS 14 CO 0.11 0.86 0.34 0.35 -2.27 0.00 0.00 179.45 178.84 3kp2 h PHE 15 N 0.38 0.76 -0.42 1.91 3.57 -0.76 -0.55 116.94 121.83 3kp2 h PHE 15 Ca 0.07 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3kp2 h PHE 15 Cb 0.67 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3kp2 h PHE 15 CO 0.06 0.53 0.04 0.82 -2.23 0.00 0.00 178.31 177.53 3kp2 h ILE 16 N 0.77 1.25 -0.62 1.41 2.04 -1.09 -0.43 117.51 120.85 3kp2 h ILE 16 Ca 0.20 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.17 3kp2 h ILE 16 Cb -0.01 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3kp2 h ILE 16 CO -0.04 0.32 0.37 0.78 0.00 0.00 0.00 178.15 179.58 3kp2 h ASN 17 N 0.56 0.58 -0.47 1.72 2.35 -0.86 -0.71 115.58 118.76 3kp2 h ASN 17 Ca 0.13 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3kp2 h ASN 17 Cb 0.42 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3kp2 h ASN 17 CO 0.01 0.40 -0.03 0.44 -1.65 0.00 0.00 177.43 176.60 3kp2 h ASP 18 N 0.71 0.83 -0.15 5.81 3.32 -0.92 -0.41 116.42 125.61 3kp2 h ASP 18 Ca 0.26 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 57.01 3kp2 h ASP 18 Cb 0.07 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3kp2 h ASP 18 CO -0.13 0.95 0.02 0.58 -1.72 0.00 0.00 179.24 178.94 3kp2 h VAL 19 N 0.69 0.92 -0.86 -1.35 2.07 -0.67 -0.60 116.25 116.44 3kp2 h VAL 19 Ca 0.13 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.66 3kp2 h VAL 19 Cb 0.54 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3kp2 h VAL 19 CO 0.03 0.01 0.56 0.78 0.02 0.00 0.00 177.57 178.97 3kp2 h ASN 20 N 0.07 0.92 -0.31 0.57 -0.26 -0.97 -0.33 115.58 115.28 3kp2 h ASN 20 Ca 0.07 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 3kp2 h ASN 20 Cb 0.07 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 3kp2 h ASN 20 CO -0.10 0.63 0.10 0.74 -1.06 0.00 0.00 177.43 177.74 3kp2 h THR 21 N 1.07 1.20 -0.18 2.81 2.02 -0.68 -0.07 112.91 119.09 3kp2 h THR 21 Ca 0.35 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.89 3kp2 h THR 21 Cb 0.02 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3kp2 h THR 21 CO -0.12 0.22 0.04 0.25 0.37 0.00 0.00 175.52 176.28 3kp2 h LEU 22 N 0.35 0.01 -0.15 2.58 5.85 -0.68 -0.46 115.31 122.80 3kp2 h LEU 22 Ca 0.10 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3kp2 h LEU 22 Cb 0.24 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3kp2 h LEU 22 CO -0.00 0.03 0.07 0.74 -0.34 0.00 0.00 178.44 178.94 3kp2 h THR 23 N 0.11 0.99 -0.89 1.05 2.02 -0.96 0.37 112.91 115.59 3kp2 h THR 23 Ca 0.08 -0.05 0.10 0.00 0.77 0.00 0.00 66.41 67.31 3kp2 h THR 23 Cb 0.07 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 3kp2 h THR 23 CO -0.10 0.03 0.54 0.00 0.37 0.00 0.00 175.52 176.35 3kp2 h ALA 24 N 1.08 1.30 -0.11 6.16 0.00 -0.72 0.15 119.26 127.11 3kp2 h ALA 24 Ca 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kp2 h ALA 24 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kp2 h ALA 24 CO -0.05 0.17 -0.25 0.87 0.00 0.00 0.00 179.25 179.98 3kp2 h LYS 25 N 0.89 0.37 0.00 0.00 1.57 -0.32 -2.46 116.57 116.62 3kp2 h LYS 25 Ca 0.43 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3kp2 h LYS 25 Cb 0.38 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kp2 h LYS 25 CO -0.25 0.85 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.28 3kp2 h LEU 26 N -0.06 0.00 -2.63 2.94 3.38 0.07 -3.14 115.31 115.87 3kp2 h LEU 26 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kp2 h LEU 26 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kp2 h LEU 26 CO 0.06 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.90 3kp2 n LEU 27 N -3.31 3.10 -0.00 1.67 4.77 0.48 -4.75 117.00 118.97 3kp2 n LEU 27 Ca 0.00 -1.83 -0.04 0.00 -0.03 0.00 0.00 56.01 54.11 3kp2 n LEU 27 Cb 0.37 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3kp2 n LEU 27 CO 0.31 0.75 0.50 0.50 -1.33 0.00 0.00 177.39 178.12 3kp2 h LYS 28 N 2.81 -0.14 -0.30 3.23 3.64 -1.39 -2.11 116.57 122.32 3kp2 h LYS 28 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3kp2 h LYS 28 Cb 0.79 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.56 3kp2 h LYS 28 CO 0.00 -0.09 -0.24 -0.44 -2.27 0.00 0.00 179.45 176.41 3kp2 h ASP 29 N -0.14 -0.77 -0.65 4.20 3.32 -1.85 -2.75 116.42 117.77 3kp2 h ASP 29 Ca 0.01 0.15 0.12 0.00 0.02 0.00 0.00 57.03 57.32 3kp2 h ASP 29 Cb 0.16 0.38 -0.09 0.00 0.22 0.00 0.00 39.33 40.00 3kp2 h ASP 29 CO -0.10 -0.27 0.20 0.25 -1.72 0.00 0.00 179.24 177.60 3kp2 h LEU 30 N -0.21 0.12 -1.25 1.55 5.85 -1.86 -0.65 115.31 118.85 3kp2 h LEU 30 Ca 0.16 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3kp2 h LEU 30 Cb 0.46 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3kp2 h LEU 30 CO -0.43 0.06 0.00 1.56 -0.34 0.00 0.00 178.44 179.29 3kp2 h GLN 31 N 0.34 0.00 0.10 1.25 4.20 -1.10 -2.29 115.11 117.61 3kp2 h GLN 31 Ca 0.35 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.86 3kp2 h GLN 31 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3kp2 h GLN 31 CO -0.39 0.00 -0.97 1.15 -0.67 0.00 0.00 178.83 177.95 3kp2 h THR 32 N 0.00 1.32 -0.56 -0.54 2.02 -1.00 0.14 112.91 114.29 3kp2 h THR 32 Ca 0.00 -2.43 0.11 0.00 0.77 0.00 0.00 66.41 64.86 3kp2 h THR 32 Cb 0.51 2.97 -0.10 0.00 -1.74 0.00 0.00 68.15 69.79 3kp2 h THR 32 CO 0.00 0.67 -0.03 -0.08 0.37 0.00 0.00 175.52 176.44 3kp2 h GLU 33 N -0.48 0.08 0.00 6.66 4.81 -0.92 0.11 114.58 124.85 3kp2 h GLU 33 Ca -0.20 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3kp2 h GLU 33 Cb 1.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.94 3kp2 h GLU 33 CO 0.07 0.05 -0.22 0.66 -0.73 0.00 0.00 179.01 178.85 3kp2 n TYR 34 N -5.29 0.34 -3.49 0.92 4.02 -0.88 -4.96 117.16 107.81 3kp2 n TYR 34 Ca 0.07 0.10 -0.20 0.00 -0.01 0.00 0.00 57.90 57.86 3kp2 n TYR 34 Cb 0.31 -0.59 0.08 0.00 -0.02 0.00 0.00 39.34 39.13 3kp2 n TYR 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kp2 n GLY 35 N 1.42 -0.43 3.20 2.72 0.00 0.38 -5.02 105.19 107.47 3kp2 n GLY 35 Ca 0.06 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3kp2 n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kp2 s ILE 36 N -3.34 1.84 0.88 -0.61 2.07 0.27 -5.01 121.20 117.30 3kp2 s ILE 36 Ca 0.26 -0.93 -0.11 0.00 -1.41 0.00 0.00 60.65 58.46 3kp2 s ILE 36 Cb -0.11 -1.58 0.12 0.00 0.13 0.00 0.00 42.46 41.02 3kp2 s ILE 36 CO 0.72 0.51 1.09 -0.94 -1.91 0.00 0.00 174.94 174.42 3kp2 s SER 37 N 0.09 3.61 0.47 4.50 1.04 -1.26 -4.70 113.70 117.45 3kp2 s SER 37 Ca -0.09 1.51 0.26 0.00 0.48 0.00 0.00 55.95 58.11 3kp2 s SER 37 Cb -0.15 -2.19 1.08 0.00 0.10 0.00 0.00 66.02 64.86 3kp2 s SER 37 CO 0.05 -2.55 1.89 0.00 0.98 0.00 0.00 173.24 173.60 3kp2 h ALA 38 N -1.49 1.05 0.69 5.32 0.00 -1.97 0.26 119.26 123.12 3kp2 h ALA 38 Ca -0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3kp2 h ALA 38 Cb 1.28 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.05 3kp2 h ALA 38 CO 0.54 0.21 -0.33 1.05 0.00 0.00 0.00 179.25 180.72 3kp2 h GLU 39 N 0.00 -0.89 -0.25 0.00 4.11 -2.00 -0.19 114.58 115.36 3kp2 h GLU 39 Ca -0.00 0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 3kp2 h GLU 39 Cb 0.65 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3kp2 h GLU 39 CO 0.02 -0.57 0.15 1.96 0.07 0.00 0.00 179.01 180.64 3kp2 h GLN 40 N -1.16 0.34 -0.85 1.06 4.20 -1.82 -2.69 115.11 114.20 3kp2 h GLN 40 Ca -0.09 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.73 3kp2 h GLN 40 Cb 0.74 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 3kp2 h GLN 40 CO 0.16 0.28 0.55 1.03 -0.67 0.00 0.00 178.83 180.18 3kp2 h SER 41 N 0.31 0.57 -0.60 1.46 0.87 -0.48 -2.30 113.55 113.37 3kp2 h SER 41 Ca 0.09 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3kp2 h SER 41 Cb 0.03 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 3kp2 h SER 41 CO -0.02 0.29 0.30 -0.74 -0.53 0.00 0.00 176.83 176.13 3kp2 h HIS 42 N 0.61 0.86 -0.53 2.24 -0.00 -0.67 -2.51 115.15 115.14 3kp2 h HIS 42 Ca 0.42 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.71 3kp2 h HIS 42 Cb 0.76 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3kp2 h HIS 42 CO -0.00 0.65 0.14 0.28 -0.00 0.00 0.00 177.93 179.00 3kp2 h VAL 43 N 0.82 1.22 -0.29 5.26 2.07 -1.41 0.14 116.25 124.05 3kp2 h VAL 43 Ca 0.21 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 3kp2 h VAL 43 Cb 0.11 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3kp2 h VAL 43 CO -0.03 0.29 0.03 -0.07 0.02 0.00 0.00 177.57 177.81 3kp2 h LEU 44 N 0.78 0.48 -0.86 2.57 3.38 -1.43 0.27 115.31 120.49 3kp2 h LEU 44 Ca 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kp2 h LEU 44 Cb 0.26 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3kp2 h LEU 44 CO -0.00 0.64 0.53 -1.13 0.09 0.00 0.00 178.44 178.57 3kp2 h ASN 45 N 0.30 1.03 -0.08 -0.43 -1.24 -1.18 0.32 115.58 114.30 3kp2 h ASN 45 Ca 0.09 -0.06 0.01 0.00 0.71 0.00 0.00 56.30 57.05 3kp2 h ASN 45 Cb 0.38 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 3kp2 h ASN 45 CO 0.01 0.78 -0.01 -0.03 -1.29 0.00 0.00 177.43 176.89 3kp2 h MET 46 N 1.18 0.01 0.00 6.67 4.05 -0.13 -1.70 114.93 125.01 3kp2 h MET 46 Ca 0.31 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.73 3kp2 h MET 46 Cb -0.07 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 3kp2 h MET 46 CO -0.06 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.36 3kp2 n LEU 47 N -5.12 0.76 0.21 3.39 4.77 0.89 -2.49 117.00 119.40 3kp2 n LEU 47 Ca -0.05 0.65 0.06 0.00 -0.03 0.00 0.00 56.01 56.63 3kp2 n LEU 47 Cb 0.06 -0.50 0.46 0.00 -2.33 0.00 0.00 43.42 41.12 3kp2 n LEU 47 CO 0.30 -0.46 0.79 -1.28 -1.33 0.00 0.00 177.39 175.41 3kp2 h SER 48 N 0.00 0.00 0.53 -1.43 0.87 0.58 -2.88 113.55 111.22 3kp2 h SER 48 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 3kp2 h SER 48 Cb 0.49 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3kp2 h SER 48 CO 0.00 0.29 -0.76 0.40 -0.53 0.00 0.00 176.83 176.24 3kp2 h ILE 49 N 0.00 1.46 -1.13 2.23 2.04 -1.39 -3.48 117.51 117.24 3kp2 h ILE 49 Ca -0.00 -2.38 0.31 0.00 1.00 0.00 0.00 64.86 63.79 3kp2 h ILE 49 Cb 0.60 2.28 -0.21 0.00 -0.74 0.00 0.00 36.82 38.75 3kp2 h ILE 49 CO 0.04 0.69 0.95 -1.83 0.00 0.00 0.00 178.15 178.00 3kp2 s GLU 50 N -3.42 0.08 1.45 2.37 4.04 -1.09 -5.17 118.70 116.96 3kp2 s GLU 50 Ca -0.03 -0.03 -0.24 0.00 0.04 0.00 0.00 54.97 54.72 3kp2 s GLU 50 Cb 0.11 0.04 0.37 0.00 0.02 0.00 0.00 34.13 34.67 3kp2 s GLU 50 CO 0.81 -0.04 0.92 0.00 -1.84 0.00 0.00 175.26 175.11 3kp2 s ALA 51 N -2.01 -0.78 -0.25 -0.84 0.00 -1.26 -4.50 121.76 112.12 3kp2 s ALA 51 Ca 0.11 -0.85 -0.28 0.00 0.00 0.00 0.00 51.96 50.94 3kp2 s ALA 51 Cb -0.01 -2.92 0.16 0.00 0.00 0.00 0.00 23.12 20.34 3kp2 s ALA 51 CO -0.03 -4.67 1.20 -0.51 0.00 0.00 0.00 175.76 171.75 3kp2 s LEU 52 N -7.92 -0.22 1.01 0.00 1.43 -1.19 -4.99 118.68 106.79 3kp2 s LEU 52 Ca 0.69 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.97 3kp2 s LEU 52 Cb -0.12 1.48 0.19 0.00 0.03 0.00 0.00 46.19 47.77 3kp2 s LEU 52 CO 0.57 -0.15 1.14 -0.89 0.23 0.00 0.00 176.35 177.26 3kp2 s THR 53 N -0.59 1.90 -0.28 5.49 2.01 -1.26 -0.49 115.64 122.43 3kp2 s THR 53 Ca 0.04 0.00 0.20 0.00 0.31 0.00 0.00 61.69 62.24 3kp2 s THR 53 Cb -0.02 -2.66 0.12 0.00 0.01 0.00 0.00 72.50 69.94 3kp2 s THR 53 CO -0.06 0.00 1.31 0.58 -0.69 0.00 0.00 174.62 175.76 3kp2 h VAL 54 N -1.87 0.26 0.05 3.82 2.07 -1.95 -3.07 116.25 115.57 3kp2 h VAL 54 Ca -0.49 -1.41 -0.24 0.00 0.82 0.00 0.00 66.70 65.38 3kp2 h VAL 54 Cb 1.31 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 3kp2 h VAL 54 CO 0.52 0.15 -1.13 1.23 0.02 0.00 0.00 177.57 178.35 3kp2 h GLY 55 N 3.85 0.13 1.14 2.17 0.00 -1.95 -3.26 103.07 105.15 3kp2 h GLY 55 Ca -0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 3kp2 h GLY 55 CO 0.02 0.30 -0.30 1.46 0.00 0.00 0.00 176.54 178.02 3kp2 h GLN 56 N 0.03 0.96 -0.23 4.80 4.20 -1.92 -3.00 115.11 119.95 3kp2 h GLN 56 Ca -0.07 -0.46 -0.03 0.00 0.06 0.00 0.00 58.65 58.15 3kp2 h GLN 56 Cb 1.86 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.62 3kp2 h GLN 56 CO 0.16 1.12 -0.01 0.82 -0.67 0.00 0.00 178.83 180.25 3kp2 h ILE 57 N 0.81 1.15 -0.26 2.54 2.04 -1.62 -1.45 117.51 120.72 3kp2 h ILE 57 Ca 0.09 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 3kp2 h ILE 57 Cb 0.88 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3kp2 h ILE 57 CO 0.08 0.20 0.05 0.74 0.00 0.00 0.00 178.15 179.22 3kp2 h THR 58 N 0.34 1.14 0.00 -0.27 2.02 -1.57 -1.96 112.91 112.60 3kp2 h THR 58 Ca 0.08 -0.50 -0.22 0.00 0.77 0.00 0.00 66.41 66.54 3kp2 h THR 58 Cb 0.25 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3kp2 h THR 58 CO 0.01 0.17 -1.18 -0.08 0.37 0.00 0.00 175.52 174.81 3kp2 h GLU 59 N 0.37 0.00 -0.64 6.66 4.57 -1.28 -2.86 114.58 121.40 3kp2 h GLU 59 Ca 0.09 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 3kp2 h GLU 59 Cb 0.18 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3kp2 h GLU 59 CO -0.00 0.79 0.07 1.63 -1.18 0.00 0.00 179.01 180.31 3kp2 n LYS 60 N -3.23 4.47 0.00 1.92 5.02 -0.79 -3.87 118.16 121.68 3kp2 n LYS 60 Ca -0.05 -3.00 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 3kp2 n LYS 60 Cb 0.95 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3kp2 n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3kp2 n GLN 61 N 0.42 3.31 0.00 1.97 -0.06 -0.77 -5.02 117.38 117.22 3kp2 n GLN 61 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.30 3kp2 n GLN 61 Cb 1.21 -0.59 0.00 0.00 -4.06 0.00 0.00 30.24 26.79 3kp2 n GLN 61 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kp2 n GLY 62 N 0.93 0.44 3.17 1.69 0.00 -1.08 -4.92 105.19 105.42 3kp2 n GLY 62 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3kp2 n GLY 62 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kp2 n VAL 63 N 0.00 0.00 -1.47 1.61 0.24 -1.26 -4.75 118.33 112.70 3kp2 n VAL 63 Ca 0.00 -0.02 -0.57 0.00 -2.04 0.00 0.00 64.34 61.71 3kp2 n VAL 63 Cb 0.00 -0.88 -0.07 0.00 -1.47 0.00 0.00 33.84 31.42 3kp2 n VAL 63 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3kp2 n ASN 64 N -4.77 -0.17 -0.26 -1.34 4.05 -1.26 -4.80 115.26 106.70 3kp2 n ASN 64 Ca 0.12 1.14 -0.00 0.00 0.45 0.00 0.00 54.58 56.29 3kp2 n ASN 64 Cb 0.54 -0.91 0.12 0.00 1.23 0.00 0.00 39.78 40.75 3kp2 n ASN 64 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 3kp2 h LYS 65 N 2.71 0.75 -0.95 1.20 3.11 -1.88 -1.68 116.57 119.82 3kp2 h LYS 65 Ca -0.47 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.35 3kp2 h LYS 65 Cb 1.42 -0.17 -0.05 0.00 -1.00 0.00 0.00 32.23 32.42 3kp2 h LYS 65 CO 0.63 0.50 0.63 0.00 -2.81 0.00 0.00 179.45 178.39 3kp2 h ALA 66 N 1.38 1.24 -0.29 5.00 0.00 -1.99 0.01 119.26 124.61 3kp2 h ALA 66 Ca 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3kp2 h ALA 66 Cb 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kp2 h ALA 66 CO -0.19 0.54 0.07 0.00 0.00 0.00 0.00 179.25 179.66 3kp2 h ALA 67 N 1.38 0.38 -0.30 0.00 0.00 -1.67 -2.49 119.26 116.55 3kp2 h ALA 67 Ca 0.37 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3kp2 h ALA 67 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kp2 h ALA 67 CO -0.11 0.04 -0.32 0.28 0.00 0.00 0.00 179.25 179.15 3kp2 h VAL 68 N 0.30 1.28 -0.46 0.00 2.07 -0.94 -2.64 116.25 115.86 3kp2 h VAL 68 Ca 0.09 -1.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.07 3kp2 h VAL 68 Cb 0.29 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3kp2 h VAL 68 CO 0.00 0.47 -0.06 0.28 0.02 0.00 0.00 177.57 178.28 3kp2 h SER 69 N 0.56 0.79 -0.42 0.57 0.02 -0.94 -0.97 113.55 113.15 3kp2 h SER 69 Ca 0.06 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3kp2 h SER 69 Cb 0.82 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3kp2 h SER 69 CO 0.07 0.89 0.12 -0.09 -1.14 0.00 0.00 176.83 176.68 3kp2 h ARG 70 N 0.74 0.67 -0.77 3.45 1.12 -1.35 0.15 114.38 118.38 3kp2 h ARG 70 Ca 0.13 -0.15 -0.03 0.00 -1.11 0.00 0.00 59.98 58.83 3kp2 h ARG 70 Cb 0.53 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.37 3kp2 h ARG 70 CO 0.03 0.66 0.37 0.00 -3.11 0.00 0.00 179.97 177.92 3kp2 h ARG 71 N 0.54 1.09 -0.17 0.20 3.08 -1.21 0.52 114.38 118.43 3kp2 h ARG 71 Ca 0.13 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3kp2 h ARG 71 Cb 0.28 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3kp2 h ARG 71 CO -0.00 0.84 -0.05 0.28 -1.07 0.00 0.00 179.97 179.97 3kp2 h VAL 72 N 1.09 1.29 -0.62 2.04 2.07 -0.81 -1.74 116.25 119.57 3kp2 h VAL 72 Ca 0.27 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.80 3kp2 h VAL 72 Cb 0.11 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3kp2 h VAL 72 CO -0.03 0.31 0.41 0.11 0.02 0.00 0.00 177.57 178.38 3kp2 h LYS 73 N 0.05 0.66 -0.26 1.57 1.57 -0.08 -0.74 116.57 119.33 3kp2 h LYS 73 Ca 0.04 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 3kp2 h LYS 73 Cb 0.49 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3kp2 h LYS 73 CO 0.02 0.44 -0.28 0.87 -0.57 0.00 0.00 179.45 179.93 3kp2 h LYS 74 N 0.68 0.53 0.00 3.15 1.57 0.26 -2.03 116.57 120.73 3kp2 h LYS 74 Ca 0.26 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kp2 h LYS 74 Cb 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3kp2 h LYS 74 CO -0.07 0.76 0.00 -0.07 -0.57 0.00 0.00 179.45 179.49 3kp2 h LEU 75 N 0.46 0.00 0.19 2.94 3.38 -0.24 -2.77 115.31 119.26 3kp2 h LEU 75 Ca 0.06 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.71 3kp2 h LEU 75 Cb 0.73 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.49 3kp2 h LEU 75 CO 0.06 0.00 -1.54 -0.07 0.09 0.00 0.00 178.44 176.98 3kp2 h LEU 76 N 0.00 0.62 -1.65 1.67 3.38 -0.99 0.15 115.31 118.50 3kp2 h LEU 76 Ca 0.00 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.20 3kp2 h LEU 76 Cb 0.71 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kp2 h LEU 76 CO 0.00 1.62 -0.03 -1.13 0.09 0.00 0.00 178.44 179.00 3kp2 h ASN 77 N 0.11 0.00 0.03 -0.43 -0.73 -1.27 -0.68 115.58 112.61 3kp2 h ASN 77 Ca -0.26 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.91 3kp2 h ASN 77 Cb 2.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.68 3kp2 h ASN 77 CO 0.21 0.03 -0.34 0.00 -0.37 0.00 0.00 177.43 176.96 3kp2 n ALA 78 N -2.11 3.26 -2.68 1.57 0.00 -1.06 -4.96 120.51 114.53 3kp2 n ALA 78 Ca -0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 53.44 52.63 3kp2 n ALA 78 Cb 0.28 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 18.87 3kp2 n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kp2 n GLU 79 N 0.07 -3.12 0.00 0.00 1.02 -0.26 -4.88 120.64 113.47 3kp2 n GLU 79 Ca 0.11 0.94 0.11 0.00 -0.02 0.00 0.00 57.16 58.30 3kp2 n GLU 79 Cb 0.46 -5.66 0.05 0.00 -0.02 0.00 0.00 31.44 26.27 3kp2 n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kp2 n LEU 80 N -3.40 0.74 -4.00 -4.62 4.77 0.49 -4.60 117.00 106.38 3kp2 n LEU 80 Ca -0.18 -0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 3kp2 n LEU 80 Cb 0.65 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 3kp2 n LEU 80 CO 0.37 0.18 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.57 3kp2 s VAL 81 N -3.02 0.14 0.28 4.08 1.01 -1.01 -1.73 120.40 120.14 3kp2 s VAL 81 Ca 0.09 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.97 3kp2 s VAL 81 Cb 0.17 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3kp2 s VAL 81 CO 0.79 -0.63 0.20 -1.59 0.00 0.00 0.00 175.10 173.88 3kp2 s LYS 82 N -2.13 1.52 0.01 2.72 -2.85 0.20 -4.54 119.74 114.67 3kp2 s LYS 82 Ca -0.10 -1.85 -0.04 0.00 -1.00 0.00 0.00 55.97 52.98 3kp2 s LYS 82 Cb -0.05 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.90 3kp2 s LYS 82 CO -0.03 -0.52 0.21 -0.51 0.10 0.00 0.00 175.35 174.60 3kp2 s LEU 83 N -3.29 4.37 0.00 2.77 1.43 -1.26 -1.28 118.68 121.41 3kp2 s LEU 83 Ca 0.39 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 3kp2 s LEU 83 Cb 0.05 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.59 3kp2 s LEU 83 CO 0.20 0.25 0.00 1.21 0.23 0.00 0.00 176.35 178.24 3kp2 n GLU 84 N 0.91 0.00 -3.63 1.70 2.13 -1.26 -4.84 120.64 115.65 3kp2 n GLU 84 Ca -0.10 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.34 3kp2 n GLU 84 Cb 0.52 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.13 3kp2 n GLU 84 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3kp2 s LYS 95 N 0.00 3.99 0.31 5.31 1.02 -1.26 -5.09 119.74 124.03 3kp2 s LYS 95 Ca 0.00 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 55.76 3kp2 s LYS 95 Cb 0.00 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 3kp2 s LYS 95 CO 0.00 -0.08 0.29 0.42 -0.92 0.00 0.00 175.35 175.06 3kp2 s ILE 96 N 1.46 3.83 -0.22 2.17 1.01 -1.26 -4.52 121.20 123.67 3kp2 s ILE 96 Ca 0.07 -1.33 -0.01 0.00 0.00 0.00 0.00 60.65 59.37 3kp2 s ILE 96 Cb -0.15 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 39.07 3kp2 s ILE 96 CO 0.08 -0.22 -0.09 -0.63 0.00 0.00 0.00 174.94 174.08 3kp2 s ILE 97 N -2.25 2.78 0.17 2.92 -1.09 0.36 -4.23 121.20 119.87 3kp2 s ILE 97 Ca 0.39 -0.87 0.05 0.00 -2.23 0.00 0.00 60.65 58.00 3kp2 s ILE 97 Cb -0.07 -2.32 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 3kp2 s ILE 97 CO 0.27 0.34 -0.11 -1.59 -1.23 0.00 0.00 174.94 172.62 3kp2 s LYS 98 N 1.35 1.17 0.44 2.79 -2.85 -0.41 -3.18 119.74 119.05 3kp2 s LYS 98 Ca 0.03 -1.51 -0.25 0.00 -1.00 0.00 0.00 55.97 53.24 3kp2 s LYS 98 Cb -0.15 -0.78 -0.08 0.00 -2.06 0.00 0.00 37.83 34.77 3kp2 s LYS 98 CO -0.06 0.09 1.27 -0.51 0.10 0.00 0.00 175.35 176.24 3kp2 s LEU 99 N -3.23 4.12 0.76 2.77 1.43 -1.26 0.63 118.68 123.90 3kp2 s LEU 99 Ca 0.19 2.56 -0.08 0.00 -1.03 0.00 0.00 54.13 55.78 3kp2 s LEU 99 Cb 0.02 -4.04 0.10 0.00 0.03 0.00 0.00 46.19 42.30 3kp2 s LEU 99 CO 0.03 -0.95 1.08 -0.94 0.23 0.00 0.00 176.35 175.80 3kp2 s SER 100 N -0.94 4.37 0.57 2.29 1.04 -0.71 -4.59 113.70 115.74 3kp2 s SER 100 Ca 0.60 0.28 0.30 0.00 0.48 0.00 0.00 55.95 57.61 3kp2 s SER 100 Cb -0.36 -0.75 1.74 0.00 0.10 0.00 0.00 66.02 66.75 3kp2 s SER 100 CO 0.45 -1.89 2.21 -1.13 0.98 0.00 0.00 173.24 173.85 3kp2 h ASN 101 N -0.81 0.00 0.71 7.02 -0.73 -1.88 -0.48 115.58 119.41 3kp2 h ASN 101 Ca -0.43 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.48 3kp2 h ASN 101 Cb 1.29 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.87 3kp2 h ASN 101 CO 0.52 0.04 -1.21 0.50 -0.37 0.00 0.00 177.43 176.91 3kp2 h LYS 102 N 0.00 0.19 -0.09 6.67 3.64 -1.87 -2.67 116.57 122.45 3kp2 h LYS 102 Ca -0.00 -0.33 -0.14 0.00 -1.27 0.00 0.00 60.65 58.91 3kp2 h LYS 102 Cb 0.10 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3kp2 h LYS 102 CO 0.00 1.14 -0.56 0.78 -2.27 0.00 0.00 179.45 178.54 3kp2 h GLY 103 N 2.00 0.29 1.08 5.01 0.00 -1.30 -2.82 103.07 107.33 3kp2 h GLY 103 Ca -0.11 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 3kp2 h GLY 103 CO 0.18 0.30 -0.03 0.50 0.00 0.00 0.00 176.54 177.50 3kp2 h LYS 104 N 0.20 1.06 -0.43 4.80 1.57 -1.10 -2.31 116.57 120.36 3kp2 h LYS 104 Ca -0.00 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.33 3kp2 h LYS 104 Cb 1.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3kp2 h LYS 104 CO 0.09 1.05 -0.12 0.87 -0.57 0.00 0.00 179.45 180.76 3kp2 h LYS 105 N 0.95 0.77 -0.25 3.15 1.57 -1.39 -2.10 116.57 119.27 3kp2 h LYS 105 Ca 0.16 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3kp2 h LYS 105 Cb 0.59 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3kp2 h LYS 105 CO 0.04 0.86 0.16 -0.92 -0.57 0.00 0.00 179.45 179.01 3kp2 h TYR 106 N 0.70 0.33 0.00 -1.35 3.20 -1.31 -2.40 116.97 116.14 3kp2 h TYR 106 Ca 0.12 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3kp2 h TYR 106 Cb 0.61 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3kp2 h TYR 106 CO 0.03 0.24 -0.19 0.82 -1.64 0.00 0.00 178.16 177.42 3kp2 h ILE 107 N 0.32 0.76 -0.15 1.81 1.08 -1.16 -0.65 117.51 119.52 3kp2 h ILE 107 Ca 0.09 -0.77 -0.12 0.00 -0.39 0.00 0.00 64.86 63.67 3kp2 h ILE 107 Cb 0.00 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 3kp2 h ILE 107 CO -0.02 0.19 -0.37 0.11 -0.69 0.00 0.00 178.15 177.37 3kp2 h LYS 108 N 0.00 0.51 -0.44 2.37 1.57 -1.05 -0.17 116.57 119.36 3kp2 h LYS 108 Ca -0.00 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.36 3kp2 h LYS 108 Cb 0.45 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3kp2 h LYS 108 CO 0.02 0.97 0.01 0.93 -0.57 0.00 0.00 179.45 180.81 3kp2 h GLU 109 N 0.13 0.72 -0.16 3.15 5.08 -1.02 0.24 114.58 122.71 3kp2 h GLU 109 Ca -0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3kp2 h GLU 109 Cb 0.98 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3kp2 h GLU 109 CO 0.08 0.73 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.70 3kp2 h ARG 110 N 0.68 0.31 -0.63 2.33 2.43 -1.01 -2.67 114.38 115.80 3kp2 h ARG 110 Ca 0.14 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3kp2 h ARG 110 Cb 0.41 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3kp2 h ARG 110 CO 0.02 0.56 0.16 0.87 -1.51 0.00 0.00 179.97 180.07 3kp2 h LYS 111 N 0.03 0.99 -0.03 0.20 1.57 -0.72 -2.11 116.57 116.50 3kp2 h LYS 111 Ca 0.04 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3kp2 h LYS 111 Cb 0.44 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3kp2 h LYS 111 CO 0.01 0.87 -0.32 0.00 -0.57 0.00 0.00 179.45 179.45 3kp2 h ALA 112 N 1.23 -0.44 0.77 3.86 0.00 -0.40 -0.09 119.26 124.18 3kp2 h ALA 112 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kp2 h ALA 112 Cb 0.32 0.57 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kp2 h ALA 112 CO -0.00 -0.82 -0.37 0.82 0.00 0.00 0.00 179.25 178.88 3kp2 h ILE 113 N -0.45 0.21 -0.93 0.00 2.04 -1.31 -2.47 117.51 114.59 3kp2 h ILE 113 Ca 0.07 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3kp2 h ILE 113 Cb 0.55 0.23 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 3kp2 h ILE 113 CO -0.28 0.01 0.57 0.24 0.00 0.00 0.00 178.15 178.68 3kp2 h MET 114 N -1.09 0.92 -0.11 2.37 2.86 -1.33 -1.72 114.93 116.82 3kp2 h MET 114 Ca -0.11 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.35 3kp2 h MET 114 Cb 0.80 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3kp2 h MET 114 CO 0.17 0.61 -0.51 0.77 1.06 0.00 0.00 176.91 179.02 3kp2 h SER 115 N 0.95 0.33 0.81 1.22 0.02 -1.05 -0.99 113.55 114.84 3kp2 h SER 115 Ca 0.44 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3kp2 h SER 115 Cb 0.37 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.82 3kp2 h SER 115 CO -0.24 0.78 -0.41 -0.74 -1.14 0.00 0.00 176.83 175.09 3kp2 h HIS 116 N 0.24 -1.07 -0.18 3.45 6.17 -0.83 -2.12 115.15 120.82 3kp2 h HIS 116 Ca 0.01 -0.02 -0.15 0.00 0.71 0.00 0.00 60.37 60.92 3kp2 h HIS 116 Cb 0.98 0.36 -0.01 0.00 2.52 0.00 0.00 27.41 31.26 3kp2 h HIS 116 CO 0.02 -0.65 -0.50 -0.84 0.71 0.00 0.00 177.93 176.67 3kp2 h ILE 117 N -1.12 1.32 -0.47 6.26 -0.00 -1.50 -2.96 117.51 119.06 3kp2 h ILE 117 Ca -0.11 -1.73 0.03 0.00 -0.00 0.00 0.00 64.86 63.04 3kp2 h ILE 117 Cb 0.87 1.74 -0.03 0.00 -0.00 0.00 0.00 36.82 39.39 3kp2 h ILE 117 CO 0.17 0.53 0.26 0.00 -0.00 0.00 0.00 178.15 179.11 3kp2 h ALA 118 N 1.08 0.59 0.00 0.16 0.00 -1.14 -1.31 119.26 118.63 3kp2 h ALA 118 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kp2 h ALA 118 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kp2 h ALA 118 CO 0.09 -0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.93 3kp2 h SER 119 N 0.52 0.00 0.14 0.00 4.64 -1.40 -2.70 113.55 114.76 3kp2 h SER 119 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3kp2 h SER 119 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3kp2 h SER 119 CO -0.11 0.00 -0.07 0.44 -0.87 0.00 0.00 176.83 176.23 3kp2 h ASP 120 N 0.00 -0.16 0.27 4.97 5.19 -1.15 -2.74 116.42 122.79 3kp2 h ASP 120 Ca 0.00 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 3kp2 h ASP 120 Cb 0.65 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.20 3kp2 h ASP 120 CO 0.00 0.32 0.00 0.23 -3.12 0.00 0.00 179.24 176.67 3kp2 n MET 121 N -4.95 0.07 -0.00 3.56 2.81 -0.58 -2.96 117.12 115.06 3kp2 n MET 121 Ca -0.08 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 3kp2 n MET 121 Cb 0.26 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 3kp2 n MET 121 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3kp2 n THR 122 N -1.83 0.77 0.13 2.03 -2.24 -1.03 -4.80 114.28 107.30 3kp2 n THR 122 Ca 0.01 -0.78 0.19 0.00 -2.27 0.00 0.00 64.05 61.20 3kp2 n THR 122 Cb 0.09 0.61 0.77 0.00 -2.10 0.00 0.00 70.33 69.70 3kp2 n THR 122 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kp2 h SER 123 N 0.00 0.00 -0.61 3.42 4.64 -1.37 0.14 113.55 119.77 3kp2 h SER 123 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kp2 h SER 123 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3kp2 h SER 123 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 3kp2 n ASP 124 N -3.88 3.26 -4.79 4.97 5.75 -1.26 -4.90 116.55 115.70 3kp2 n ASP 124 Ca 0.05 -2.01 -0.37 0.00 -0.01 0.00 0.00 54.79 52.46 3kp2 n ASP 124 Cb 0.48 -0.41 -0.07 0.00 -1.03 0.00 0.00 41.12 40.10 3kp2 n ASP 124 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kp2 s PHE 125 N -1.20 3.55 -0.03 2.11 0.40 0.50 -5.06 117.98 118.25 3kp2 s PHE 125 Ca 0.41 0.64 -0.26 0.00 -0.60 0.00 0.00 56.93 57.11 3kp2 s PHE 125 Cb 0.21 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 3kp2 s PHE 125 CO 0.27 0.45 0.82 0.34 0.70 0.00 0.00 175.22 177.81 3kp2 s ASP 126 N -0.23 7.16 0.24 1.36 -1.08 -1.26 -4.93 116.67 117.93 3kp2 s ASP 126 Ca 0.17 1.40 0.03 0.00 -0.52 0.00 0.00 52.55 53.63 3kp2 s ASP 126 Cb -0.13 -2.48 0.62 0.00 -1.46 0.00 0.00 42.92 39.47 3kp2 s ASP 126 CO 0.05 -0.17 1.19 -1.54 0.52 0.00 0.00 175.17 175.23 3kp2 n SER 127 N 3.77 -0.06 0.13 -0.34 3.41 -1.26 0.77 113.62 120.04 3kp2 n SER 127 Ca 0.02 1.29 0.11 0.00 -0.26 0.00 0.00 58.87 60.03 3kp2 n SER 127 Cb 0.51 -0.48 0.50 0.00 -0.26 0.00 0.00 64.21 64.48 3kp2 n SER 127 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kp2 n LYS 128 N -5.03 0.17 0.05 4.33 5.02 -1.26 -1.05 118.16 120.38 3kp2 n LYS 128 Ca 0.19 0.48 -0.21 0.00 -2.02 0.00 0.00 58.31 56.75 3kp2 n LYS 128 Cb 0.62 -1.87 -0.15 0.00 -0.02 0.00 0.00 35.03 33.61 3kp2 n LYS 128 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3kp2 h GLU 129 N 0.00 0.31 -0.48 1.97 5.08 -0.03 -3.13 114.58 118.31 3kp2 h GLU 129 Ca 0.00 -0.54 -0.10 0.00 -1.00 0.00 0.00 59.36 57.72 3kp2 h GLU 129 Cb 0.25 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3kp2 h GLU 129 CO 0.00 1.26 -0.11 0.82 -1.00 0.00 0.00 179.01 179.98 3kp2 h ILE 130 N -0.28 1.26 -0.07 3.13 1.08 -1.36 -2.61 117.51 118.65 3kp2 h ILE 130 Ca -0.21 -1.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 3kp2 h ILE 130 Cb 1.75 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 36.51 3kp2 h ILE 130 CO 0.14 0.42 0.05 -0.33 -0.69 0.00 0.00 178.15 177.73 3kp2 h GLU 131 N 0.79 0.10 -0.20 2.37 5.08 -1.20 0.21 114.58 121.72 3kp2 h GLU 131 Ca 0.13 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3kp2 h GLU 131 Cb 0.62 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3kp2 h GLU 131 CO 0.04 0.09 -0.21 -0.22 -1.00 0.00 0.00 179.01 177.72 3kp2 h LYS 132 N 0.08 0.35 -0.24 2.33 3.64 -1.50 -0.37 116.57 120.85 3kp2 h LYS 132 Ca 0.03 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.11 3kp2 h LYS 132 Cb 0.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3kp2 h LYS 132 CO -0.01 0.55 -0.57 0.28 -2.27 0.00 0.00 179.45 177.43 3kp2 h VAL 133 N 0.32 1.29 -0.06 2.00 2.07 -1.26 -3.01 116.25 117.59 3kp2 h VAL 133 Ca 0.05 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 65.74 3kp2 h VAL 133 Cb 0.55 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3kp2 h VAL 133 CO 0.04 0.57 -0.28 -0.09 0.02 0.00 0.00 177.57 177.82 3kp2 h ARG 134 N 0.56 0.11 -0.10 1.57 2.43 0.01 -2.44 114.38 116.52 3kp2 h ARG 134 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3kp2 h ARG 134 Cb 1.18 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3kp2 h ARG 134 CO 0.12 0.39 0.02 1.96 -1.51 0.00 0.00 179.97 180.95 3kp2 h GLN 135 N 0.10 0.17 -0.82 0.20 4.20 -1.00 -0.16 115.11 117.79 3kp2 h GLN 135 Ca 0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3kp2 h GLN 135 Cb 0.56 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 3kp2 h GLN 135 CO 0.04 0.37 0.50 0.28 -0.67 0.00 0.00 178.83 179.34 3kp2 h VAL 136 N -0.06 1.23 -0.13 -0.54 2.07 -1.40 -1.95 116.25 115.47 3kp2 h VAL 136 Ca 0.03 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 3kp2 h VAL 136 Cb 0.28 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3kp2 h VAL 136 CO 0.00 0.24 -0.55 -0.07 0.02 0.00 0.00 177.57 177.21 3kp2 h LEU 137 N 1.13 0.42 -0.86 2.57 3.38 -1.26 -2.49 115.31 118.20 3kp2 h LEU 137 Ca 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kp2 h LEU 137 Cb -0.05 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3kp2 h LEU 137 CO -0.06 0.88 0.49 -0.33 0.09 0.00 0.00 178.44 179.51 3kp2 h GLU 138 N 0.29 1.19 -0.33 1.13 5.08 -0.51 0.60 114.58 122.03 3kp2 h GLU 138 Ca 0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3kp2 h GLU 138 Cb 1.05 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3kp2 h GLU 138 CO 0.09 0.86 0.17 0.82 -1.00 0.00 0.00 179.01 179.95 3kp2 h ILE 139 N 1.19 1.15 -0.41 3.13 2.04 -1.22 0.17 117.51 123.56 3kp2 h ILE 139 Ca 0.30 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3kp2 h ILE 139 Cb 0.00 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3kp2 h ILE 139 CO -0.05 0.15 -0.09 0.40 0.00 0.00 0.00 178.15 178.56 3kp2 h ILE 140 N 0.40 1.25 -0.57 -0.67 2.04 -0.95 -1.22 117.51 117.79 3kp2 h ILE 140 Ca 0.11 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 3kp2 h ILE 140 Cb 0.09 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3kp2 h ILE 140 CO -0.02 0.38 0.08 -0.78 0.00 0.00 0.00 178.15 177.81 3kp2 h ASP 141 N 0.66 0.88 0.25 1.72 3.58 0.75 -0.67 116.42 123.59 3kp2 h ASP 141 Ca 0.12 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 3kp2 h ASP 141 Cb 0.54 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 3kp2 h ASP 141 CO 0.03 0.89 -0.14 0.22 -2.88 0.00 0.00 179.24 177.36 3kp2 h TYR 142 N 0.87 -0.37 -0.50 0.28 3.20 -0.03 -1.22 116.97 119.20 3kp2 h TYR 142 Ca 0.18 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3kp2 h TYR 142 Cb 0.40 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3kp2 h TYR 142 CO 0.02 -0.23 0.16 0.00 -1.64 0.00 0.00 178.16 176.48 3kp2 h ARG 143 N -0.38 0.78 -0.59 1.82 3.08 -1.12 -1.36 114.38 116.61 3kp2 h ARG 143 Ca -0.03 -0.16 0.12 0.00 0.07 0.00 0.00 59.98 59.98 3kp2 h ARG 143 Cb 0.30 -0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.15 3kp2 h ARG 143 CO 0.04 0.72 0.04 0.82 -1.07 0.00 0.00 179.97 180.51 3kp2 h ILE 144 N 0.68 0.56 -0.68 2.04 2.04 -0.90 0.31 117.51 121.55 3kp2 h ILE 144 Ca 0.16 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 3kp2 h ILE 144 Cb 0.26 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3kp2 h ILE 144 CO -0.01 0.03 0.21 1.56 0.00 0.00 0.00 178.15 179.95 3kp2 h GLN 145 N 0.16 1.05 -0.43 2.37 4.20 -0.90 0.00 115.11 121.56 3kp2 h GLN 145 Ca 0.31 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3kp2 h GLN 145 Cb 0.48 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3kp2 h GLN 145 CO -0.47 0.91 0.07 0.77 -0.67 0.00 0.00 178.83 179.44 3kp2 h SER 146 N 0.99 0.67 0.44 1.46 0.02 0.06 0.11 113.55 117.31 3kp2 h SER 146 Ca 0.22 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3kp2 h SER 146 Cb 0.30 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3kp2 h SER 146 CO -0.01 0.76 -0.33 1.88 -1.14 0.00 0.00 176.83 177.99 3kp2 h TYR 147 N 0.56 -0.88 -1.01 3.45 0.05 -0.32 -2.11 116.97 116.70 3kp2 h TYR 147 Ca 0.13 -0.00 0.24 0.00 0.05 0.00 0.00 58.73 59.15 3kp2 h TYR 147 Cb 0.37 0.33 -0.10 0.00 1.01 0.00 0.00 36.73 38.34 3kp2 h TYR 147 CO 0.03 -0.49 0.64 1.15 -1.05 0.00 0.00 178.16 178.43 3kp2 h THR 148 N -0.76 0.58 -0.56 -2.88 2.02 -0.79 -0.04 112.91 110.48 3kp2 h THR 148 Ca -0.04 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3kp2 h THR 148 Cb 0.65 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3kp2 h THR 148 CO 0.00 0.09 0.27 -1.28 0.37 0.00 0.00 175.52 174.98 3kp2 h SER 149 N 0.51 0.73 -0.02 4.18 0.87 -0.14 -3.43 113.55 116.23 3kp2 h SER 149 Ca 0.59 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 3kp2 h SER 149 Cb 1.29 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3kp2 h SER 149 CO -0.33 0.65 0.00 0.29 -0.53 0.00 0.00 176.83 176.91 3kp2 n LYS 150 N -4.56 0.97 0.00 2.24 5.02 -0.03 -5.10 118.16 116.70 3kp2 n LYS 150 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3kp2 n LYS 150 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 3kp2 n LYS 150 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77