#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp3 n GLU 6 N 0.00 1.69 -0.09 6.28 1.02 -1.26 -4.73 120.64 123.55 3kp3 n GLU 6 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 3kp3 n GLU 6 Cb 0.00 -0.14 0.07 0.00 -0.02 0.00 0.00 31.44 31.35 3kp3 n GLU 6 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3kp3 n ASP 7 N 0.00 0.94 0.06 1.62 5.68 -1.26 -1.88 116.55 121.70 3kp3 n ASP 7 Ca 0.00 -2.01 -0.22 0.00 -0.50 0.00 0.00 54.79 52.06 3kp3 n ASP 7 Cb 0.00 -0.13 -0.15 0.00 -1.14 0.00 0.00 41.12 39.70 3kp3 n ASP 7 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3kp3 h HIS 8 N 0.94 0.64 -0.03 2.11 3.86 -1.97 0.63 115.15 121.33 3kp3 h HIS 8 Ca 0.00 -0.47 -0.12 0.00 -1.16 0.00 0.00 60.37 58.62 3kp3 h HIS 8 Cb 0.25 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 3kp3 h HIS 8 CO 0.12 1.67 -0.56 0.82 0.86 0.00 0.00 177.93 180.83 3kp3 h ILE 9 N 0.10 1.39 0.19 2.45 1.08 -1.70 0.22 117.51 121.24 3kp3 h ILE 9 Ca -0.35 -1.90 -0.31 0.00 -0.39 0.00 0.00 64.86 61.90 3kp3 h ILE 9 Cb 2.08 2.00 0.02 0.00 -3.07 0.00 0.00 36.82 37.85 3kp3 h ILE 9 CO 0.16 0.55 -1.43 0.28 -0.69 0.00 0.00 178.15 177.02 3kp3 h SER 10 N 0.07 0.64 -0.11 1.72 0.02 -1.46 -3.07 113.55 111.36 3kp3 h SER 10 Ca -0.00 -0.72 -0.02 0.00 -0.84 0.00 0.00 61.79 60.21 3kp3 h SER 10 Cb 1.01 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 3kp3 h SER 10 CO 0.08 1.57 -0.01 0.15 -1.14 0.00 0.00 176.83 177.48 3kp3 h PHE 11 N 0.11 0.23 -0.40 3.45 3.57 -0.69 -2.45 116.94 120.76 3kp3 h PHE 11 Ca -0.22 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.32 3kp3 h PHE 11 Cb 2.09 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 40.68 3kp3 h PHE 11 CO 0.10 0.47 -0.29 1.25 -2.23 0.00 0.00 178.31 177.61 3kp3 h LEU 12 N -0.08 -0.96 0.21 0.59 5.85 -0.66 1.26 115.31 121.51 3kp3 h LEU 12 Ca 0.03 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3kp3 h LEU 12 Cb 0.38 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3kp3 h LEU 12 CO 0.01 -0.30 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.22 3kp3 h GLU 13 N -0.22 -0.46 -0.87 1.25 5.08 -1.51 0.72 114.58 118.58 3kp3 h GLU 13 Ca 0.18 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.69 3kp3 h GLU 13 Cb 0.51 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.73 3kp3 h GLU 13 CO -0.52 -0.30 -0.45 -0.22 -1.00 0.00 0.00 179.01 176.51 3kp3 h LYS 14 N -0.47 -0.07 -0.61 2.33 3.64 -0.90 1.41 116.57 121.90 3kp3 h LYS 14 Ca -0.03 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3kp3 h LYS 14 Cb 0.42 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 3kp3 h LYS 14 CO -0.06 -0.04 0.25 0.35 -2.27 0.00 0.00 179.45 177.68 3kp3 h PHE 15 N -0.07 0.45 -0.34 1.91 3.57 0.20 0.25 116.94 122.91 3kp3 h PHE 15 Ca 0.25 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 3kp3 h PHE 15 Cb 0.54 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3kp3 h PHE 15 CO -0.86 0.15 -0.02 0.82 -2.23 0.00 0.00 178.31 176.17 3kp3 h ILE 16 N 0.46 1.26 -0.00 1.41 2.04 0.51 -1.70 117.51 121.50 3kp3 h ILE 16 Ca 0.30 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 65.15 3kp3 h ILE 16 Cb 0.33 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3kp3 h ILE 16 CO -0.27 0.33 -0.22 0.78 0.00 0.00 0.00 178.15 178.77 3kp3 h ASN 17 N 0.41 -0.67 -0.93 1.72 2.35 0.27 -0.22 115.58 118.51 3kp3 h ASN 17 Ca 0.09 0.08 0.27 0.00 -0.55 0.00 0.00 56.30 56.19 3kp3 h ASN 17 Cb 0.49 0.26 -0.16 0.00 0.05 0.00 0.00 38.32 38.95 3kp3 h ASN 17 CO 0.02 -0.21 0.23 0.44 -1.65 0.00 0.00 177.43 176.26 3kp3 h ASP 18 N -0.27 -0.07 -0.23 5.81 3.32 -0.46 0.30 116.42 124.82 3kp3 h ASP 18 Ca 0.00 0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3kp3 h ASP 18 Cb 0.29 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3kp3 h ASP 18 CO -0.15 -0.24 0.09 0.58 -1.72 0.00 0.00 179.24 177.80 3kp3 h VAL 19 N 0.13 1.18 0.22 -1.35 2.07 -0.61 -1.07 116.25 116.82 3kp3 h VAL 19 Ca 0.61 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.59 3kp3 h VAL 19 Cb 1.31 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3kp3 h VAL 19 CO -0.74 0.18 -0.28 0.78 0.02 0.00 0.00 177.57 177.53 3kp3 h ASN 20 N 0.22 -0.78 -0.44 0.57 -0.26 0.13 0.32 115.58 115.33 3kp3 h ASN 20 Ca 0.08 0.08 0.09 0.00 -0.56 0.00 0.00 56.30 55.98 3kp3 h ASN 20 Cb 0.20 0.28 -0.10 0.00 -1.06 0.00 0.00 38.32 37.64 3kp3 h ASN 20 CO -0.01 -0.39 -0.31 0.74 -1.06 0.00 0.00 177.43 176.40 3kp3 h THR 21 N -0.56 0.24 -0.56 2.81 2.02 -0.62 -0.13 112.91 116.11 3kp3 h THR 21 Ca 0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 3kp3 h THR 21 Cb 0.54 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3kp3 h THR 21 CO -0.10 0.00 0.12 0.25 0.37 0.00 0.00 175.52 176.16 3kp3 h LEU 22 N -0.22 0.83 -0.29 2.58 5.85 -0.91 -2.79 115.31 120.36 3kp3 h LEU 22 Ca 0.19 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 3kp3 h LEU 22 Cb 0.53 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3kp3 h LEU 22 CO -0.56 0.82 -0.11 0.74 -0.34 0.00 0.00 178.44 178.99 3kp3 h THR 23 N 0.84 1.29 0.17 1.05 2.02 -0.03 -0.36 112.91 117.89 3kp3 h THR 23 Ca 0.18 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 66.20 3kp3 h THR 23 Cb 0.34 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 3kp3 h THR 23 CO 0.00 0.37 -0.39 0.00 0.37 0.00 0.00 175.52 175.87 3kp3 h ALA 24 N 0.76 -0.72 -0.83 6.16 0.00 -0.99 0.12 119.26 123.76 3kp3 h ALA 24 Ca 0.07 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kp3 h ALA 24 Cb 0.61 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3kp3 h ALA 24 CO 0.04 -0.97 0.51 0.87 0.00 0.00 0.00 179.25 179.70 3kp3 h LYS 25 N -0.66 0.90 -0.75 0.00 1.57 -1.47 -2.27 116.57 113.90 3kp3 h LYS 25 Ca 0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3kp3 h LYS 25 Cb 0.67 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3kp3 h LYS 25 CO -0.20 0.60 0.24 -0.07 -0.57 0.00 0.00 179.45 179.45 3kp3 h LEU 26 N 0.93 1.09 -3.08 2.94 3.38 -0.55 -2.98 115.31 117.03 3kp3 h LEU 26 Ca 0.36 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3kp3 h LEU 26 Cb 0.16 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3kp3 h LEU 26 CO -0.17 1.00 0.11 0.18 0.09 0.00 0.00 178.44 179.65 3kp3 n LEU 27 N -4.25 4.90 0.16 1.67 4.77 0.37 -4.55 117.00 120.07 3kp3 n LEU 27 Ca 0.06 -2.52 -0.14 0.00 -0.03 0.00 0.00 56.01 53.38 3kp3 n LEU 27 Cb 0.23 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.57 3kp3 n LEU 27 CO 0.42 0.62 0.73 0.50 -1.33 0.00 0.00 177.39 178.33 3kp3 h LYS 28 N 2.55 -0.34 -0.14 3.23 1.63 -1.27 -2.94 116.57 119.29 3kp3 h LYS 28 Ca 0.11 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.81 3kp3 h LYS 28 Cb 1.81 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.52 3kp3 h LYS 28 CO 0.48 -0.16 -0.40 -0.44 -3.45 0.00 0.00 179.45 175.49 3kp3 h ASP 29 N -0.44 0.60 -0.45 4.20 3.32 -1.84 -2.72 116.42 119.09 3kp3 h ASP 29 Ca -0.04 -0.59 0.13 0.00 0.02 0.00 0.00 57.03 56.56 3kp3 h ASP 29 Cb 0.34 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3kp3 h ASP 29 CO 0.06 1.08 0.37 0.25 -1.72 0.00 0.00 179.24 179.28 3kp3 h LEU 30 N 0.15 0.00 0.02 1.55 5.85 -1.86 -0.42 115.31 120.60 3kp3 h LEU 30 Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3kp3 h LEU 30 Cb 1.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3kp3 h LEU 30 CO 0.09 0.00 -0.50 1.56 -0.34 0.00 0.00 178.44 179.24 3kp3 h GLN 31 N 0.00 0.04 -0.86 1.25 4.20 -1.49 -3.25 115.11 115.00 3kp3 h GLN 31 Ca 0.21 -0.07 0.13 0.00 0.06 0.00 0.00 58.65 58.98 3kp3 h GLN 31 Cb 0.94 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.67 3kp3 h GLN 31 CO -0.00 1.04 0.47 1.15 -0.67 0.00 0.00 178.83 180.81 3kp3 h THR 32 N -0.90 0.80 -0.55 -0.54 2.02 -1.08 0.33 112.91 112.99 3kp3 h THR 32 Ca -0.13 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 66.87 3kp3 h THR 32 Cb 1.19 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3kp3 h THR 32 CO -0.04 0.13 0.37 -0.08 0.37 0.00 0.00 175.52 176.27 3kp3 h GLU 33 N 0.71 0.50 -0.26 6.66 4.81 -1.22 0.64 114.58 126.43 3kp3 h GLU 33 Ca 0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3kp3 h GLU 33 Cb 0.55 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3kp3 h GLU 33 CO -0.32 0.33 0.00 0.66 -0.73 0.00 0.00 179.01 178.96 3kp3 n TYR 34 N -4.47 0.32 -2.64 0.92 4.02 0.15 -4.96 117.16 110.50 3kp3 n TYR 34 Ca 0.08 -0.16 -0.20 0.00 -0.01 0.00 0.00 57.90 57.60 3kp3 n TYR 34 Cb 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 3kp3 n TYR 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kp3 n GLY 35 N 1.46 -0.44 3.85 2.72 0.00 0.91 -5.00 105.19 108.69 3kp3 n GLY 35 Ca 0.18 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3kp3 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kp3 s ILE 36 N -3.05 3.28 0.62 -0.61 -4.36 -0.69 -4.99 121.20 111.40 3kp3 s ILE 36 Ca 0.13 -1.38 0.03 0.00 -0.26 0.00 0.00 60.65 59.18 3kp3 s ILE 36 Cb -0.06 -3.13 0.12 0.00 1.25 0.00 0.00 42.46 40.65 3kp3 s ILE 36 CO 0.16 -0.13 0.86 -1.54 0.24 0.00 0.00 174.94 174.53 3kp3 n SER 37 N -1.41 1.53 0.01 4.36 3.41 -1.26 -4.46 113.62 115.79 3kp3 n SER 37 Ca -0.00 -2.20 -0.10 0.00 -0.26 0.00 0.00 58.87 56.31 3kp3 n SER 37 Cb 0.60 -0.52 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 3kp3 n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kp3 h ALA 38 N -0.31 0.67 0.19 7.33 0.00 -1.99 -0.85 119.26 124.30 3kp3 h ALA 38 Ca -0.29 -0.52 -0.32 0.00 0.00 0.00 0.00 54.91 53.78 3kp3 h ALA 38 Cb 1.14 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.89 3kp3 h ALA 38 CO 0.34 0.70 -1.37 0.93 0.00 0.00 0.00 179.25 179.85 3kp3 h GLU 39 N 0.42 0.59 -0.87 0.00 3.07 -1.98 0.17 114.58 115.98 3kp3 h GLU 39 Ca 0.00 -0.89 0.10 0.00 -0.50 0.00 0.00 59.36 58.07 3kp3 h GLU 39 Cb 1.13 0.31 -0.06 0.00 -0.84 0.00 0.00 28.75 29.29 3kp3 h GLU 39 CO 0.11 1.42 0.56 1.96 -1.40 0.00 0.00 179.01 181.66 3kp3 h GLN 40 N 0.21 0.82 0.29 2.33 4.20 -1.90 0.94 115.11 122.00 3kp3 h GLN 40 Ca -0.23 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3kp3 h GLN 40 Cb 2.05 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.65 3kp3 h GLN 40 CO 0.26 0.55 -0.14 1.03 -0.67 0.00 0.00 178.83 179.86 3kp3 h SER 41 N 0.85 -0.33 0.17 1.46 0.87 -0.96 -2.32 113.55 113.29 3kp3 h SER 41 Ca 0.40 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3kp3 h SER 41 Cb 0.42 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3kp3 h SER 41 CO -0.17 -0.09 -0.13 -0.74 -0.53 0.00 0.00 176.83 175.17 3kp3 h HIS 42 N -0.56 -0.35 -0.69 2.24 -0.00 0.29 0.39 115.15 116.46 3kp3 h HIS 42 Ca -0.04 -0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.57 3kp3 h HIS 42 Cb 0.41 0.13 -0.13 0.00 -0.00 0.00 0.00 27.41 27.82 3kp3 h HIS 42 CO -0.01 -0.18 0.18 0.28 -0.00 0.00 0.00 177.93 178.19 3kp3 n VAL 43 N -3.05 -0.29 -0.01 5.26 0.31 0.20 0.48 118.33 121.24 3kp3 n VAL 43 Ca -0.04 1.47 -0.11 0.00 -0.01 0.00 0.00 64.34 65.65 3kp3 n VAL 43 Cb 0.13 -2.26 -0.06 0.00 -0.91 0.00 0.00 33.84 30.74 3kp3 n VAL 43 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3kp3 h LEU 44 N 0.00 0.12 -0.83 7.52 6.46 -0.67 0.39 115.31 128.31 3kp3 h LEU 44 Ca 0.50 -0.12 -0.12 0.00 -0.12 0.00 0.00 57.88 58.02 3kp3 h LEU 44 Cb 1.18 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 3kp3 h LEU 44 CO -0.60 0.20 -0.45 -1.13 -0.62 0.00 0.00 178.44 175.84 3kp3 h ASN 45 N 0.03 0.32 0.91 1.25 -1.24 1.53 -2.47 115.58 115.91 3kp3 h ASN 45 Ca 0.03 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.90 3kp3 h ASN 45 Cb 0.11 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.07 3kp3 h ASN 45 CO -0.00 0.73 0.00 0.80 -1.29 0.00 0.00 177.43 177.67 3kp3 n MET 46 N -3.99 0.09 0.00 6.67 1.56 1.52 -2.86 117.12 120.11 3kp3 n MET 46 Ca -0.02 0.19 0.09 0.00 -0.27 0.00 0.00 57.70 57.69 3kp3 n MET 46 Cb 0.52 -1.63 -0.02 0.00 2.15 0.00 0.00 33.22 34.24 3kp3 n MET 46 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3kp3 n LEU 47 N -1.78 1.54 0.07 -0.89 4.77 0.13 -4.15 117.00 116.69 3kp3 n LEU 47 Ca 0.05 -0.70 0.12 0.00 -0.03 0.00 0.00 56.01 55.44 3kp3 n LEU 47 Cb 0.29 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.84 3kp3 n LEU 47 CO 0.23 0.30 0.86 -0.24 -1.33 0.00 0.00 177.39 177.21 3kp3 n SER 48 N -0.38 0.45 -0.09 -1.43 2.88 -1.07 -3.50 113.62 110.47 3kp3 n SER 48 Ca 0.06 0.57 -0.21 0.00 -1.33 0.00 0.00 58.87 57.97 3kp3 n SER 48 Cb 0.35 -0.68 -0.12 0.00 -0.75 0.00 0.00 64.21 63.01 3kp3 n SER 48 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3kp3 h ILE 49 N 0.00 1.02 -2.46 2.46 1.08 -1.74 -3.50 117.51 114.37 3kp3 h ILE 49 Ca 0.00 -2.21 -0.01 0.00 -0.39 0.00 0.00 64.86 62.25 3kp3 h ILE 49 Cb 0.48 2.40 -0.16 0.00 -3.07 0.00 0.00 36.82 36.47 3kp3 h ILE 49 CO 0.00 0.38 0.27 -1.83 -0.69 0.00 0.00 178.15 176.28 3kp3 s GLU 50 N -2.35 1.09 -0.23 2.37 -1.05 -1.23 -5.13 118.70 112.17 3kp3 s GLU 50 Ca -0.27 -0.16 -0.29 0.00 -0.15 0.00 0.00 54.97 54.10 3kp3 s GLU 50 Cb 0.05 0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 34.23 3kp3 s GLU 50 CO 0.62 -0.43 1.45 0.00 0.95 0.00 0.00 175.26 177.84 3kp3 s ALA 51 N -2.63 3.39 0.49 -0.84 0.00 -1.26 -4.62 121.76 116.29 3kp3 s ALA 51 Ca -0.03 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.34 3kp3 s ALA 51 Cb -0.01 -3.78 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 3kp3 s ALA 51 CO -0.04 -1.73 0.26 -0.51 0.00 0.00 0.00 175.76 173.74 3kp3 s LEU 52 N 4.56 2.78 0.15 0.00 1.43 -1.04 -4.69 118.68 121.87 3kp3 s LEU 52 Ca 0.63 -1.25 0.10 0.00 -1.03 0.00 0.00 54.13 52.58 3kp3 s LEU 52 Cb -0.22 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 3kp3 s LEU 52 CO 0.25 -0.87 -0.23 -0.89 0.23 0.00 0.00 176.35 174.84 3kp3 s THR 53 N -2.73 2.06 0.44 5.49 2.01 -1.26 -0.43 115.64 121.22 3kp3 s THR 53 Ca 0.31 -1.82 0.26 0.00 0.31 0.00 0.00 61.69 60.75 3kp3 s THR 53 Cb 0.00 -1.90 0.45 0.00 0.01 0.00 0.00 72.50 71.07 3kp3 s THR 53 CO 0.18 -0.10 1.73 0.58 -0.69 0.00 0.00 174.62 176.33 3kp3 h VAL 54 N 3.58 0.38 0.04 3.82 2.07 -1.99 0.52 116.25 124.68 3kp3 h VAL 54 Ca -0.46 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3kp3 h VAL 54 Cb 1.19 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3kp3 h VAL 54 CO 0.44 0.04 -0.02 1.23 0.02 0.00 0.00 177.57 179.29 3kp3 h GLY 55 N 0.23 -0.05 0.45 2.17 0.00 -1.98 -0.89 103.07 102.99 3kp3 h GLY 55 Ca 0.66 0.02 0.14 0.00 0.00 0.00 0.00 47.33 48.15 3kp3 h GLY 55 CO -0.27 -0.02 0.61 1.46 0.00 0.00 0.00 176.54 178.32 3kp3 h GLN 56 N -0.49 0.80 -0.07 4.80 4.20 -0.48 -2.27 115.11 121.60 3kp3 h GLN 56 Ca -0.01 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 3kp3 h GLN 56 Cb 0.45 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.06 3kp3 h GLN 56 CO 0.01 0.53 -0.66 0.82 -0.67 0.00 0.00 178.83 178.86 3kp3 h ILE 57 N 0.83 1.35 -0.72 2.54 2.04 -0.73 -2.14 117.51 120.69 3kp3 h ILE 57 Ca 0.49 -1.99 0.01 0.00 1.00 0.00 0.00 64.86 64.37 3kp3 h ILE 57 Cb 0.65 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 3kp3 h ILE 57 CO -0.25 0.60 0.47 0.74 0.00 0.00 0.00 178.15 179.71 3kp3 h THR 58 N 0.18 1.17 0.62 -0.27 2.02 -0.78 0.36 112.91 116.21 3kp3 h THR 58 Ca -0.06 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3kp3 h THR 58 Cb 1.32 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3kp3 h THR 58 CO 0.13 0.17 -0.30 -0.08 0.37 0.00 0.00 175.52 175.82 3kp3 h GLU 59 N 0.96 -0.80 -0.19 6.66 4.81 -1.49 0.39 114.58 124.91 3kp3 h GLU 59 Ca 0.27 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.61 3kp3 h GLU 59 Cb -0.09 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3kp3 h GLU 59 CO -0.06 -0.49 0.25 -0.22 -0.73 0.00 0.00 179.01 177.76 3kp3 h LYS 60 N -1.02 0.00 0.00 1.92 1.63 -1.23 -2.40 116.57 115.47 3kp3 h LYS 60 Ca -0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3kp3 h LYS 60 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 3kp3 h LYS 60 CO 0.14 0.00 -0.94 0.94 -3.45 0.00 0.00 179.45 176.14 3kp3 n GLN 61 N -3.62 1.89 -3.24 1.90 7.27 0.10 -5.06 117.38 116.62 3kp3 n GLN 61 Ca 0.02 -0.04 -0.16 0.00 0.07 0.00 0.00 57.00 56.89 3kp3 n GLN 61 Cb 0.37 -1.20 0.01 0.00 2.41 0.00 0.00 30.24 31.84 3kp3 n GLN 61 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kp3 n GLY 62 N 1.44 -0.97 1.25 1.69 0.00 0.13 -5.03 105.19 103.70 3kp3 n GLY 62 Ca 0.01 0.90 -0.02 0.00 0.00 0.00 0.00 46.02 46.90 3kp3 n GLY 62 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kp3 n VAL 63 N -1.14 0.00 -2.53 1.61 0.24 -1.22 -5.08 118.33 110.21 3kp3 n VAL 63 Ca -0.05 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.34 61.54 3kp3 n VAL 63 Cb 0.57 0.31 -0.02 0.00 -1.47 0.00 0.00 33.84 33.22 3kp3 n VAL 63 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3kp3 s ASN 64 N -1.72 7.07 0.35 -1.34 2.47 -1.26 -4.88 114.94 115.63 3kp3 s ASN 64 Ca 0.06 1.65 0.15 0.00 0.42 0.00 0.00 52.86 55.14 3kp3 s ASN 64 Cb -0.01 -2.55 1.06 0.00 -1.45 0.00 0.00 41.25 38.29 3kp3 s ASN 64 CO 0.03 -0.62 1.70 0.50 -3.72 0.00 0.00 177.10 175.00 3kp3 h LYS 65 N 7.57 0.39 -0.36 0.43 3.11 -1.96 0.13 116.57 125.88 3kp3 h LYS 65 Ca -0.29 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.56 3kp3 h LYS 65 Cb 1.13 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 32.23 3kp3 h LYS 65 CO 0.92 0.26 0.16 0.00 -2.81 0.00 0.00 179.45 177.97 3kp3 h ALA 66 N 1.74 0.43 -0.16 5.00 0.00 -2.00 -0.41 119.26 123.87 3kp3 h ALA 66 Ca 0.69 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.62 3kp3 h ALA 66 Cb 1.58 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3kp3 h ALA 66 CO -0.48 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 178.64 3kp3 h ALA 67 N 1.20 0.21 -0.04 0.00 0.00 -1.16 -2.15 119.26 117.31 3kp3 h ALA 67 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kp3 h ALA 67 Cb 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kp3 h ALA 67 CO -0.13 -0.29 0.03 0.28 0.00 0.00 0.00 179.25 179.15 3kp3 h VAL 68 N 0.19 0.75 0.10 0.00 2.07 -0.99 -2.36 116.25 116.01 3kp3 h VAL 68 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3kp3 h VAL 68 Cb 0.02 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kp3 h VAL 68 CO -0.01 0.00 -0.05 0.28 0.02 0.00 0.00 177.57 177.81 3kp3 h SER 69 N 0.00 -0.12 0.13 0.57 0.02 -0.40 -2.23 113.55 111.52 3kp3 h SER 69 Ca 0.02 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3kp3 h SER 69 Cb 0.09 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3kp3 h SER 69 CO -0.00 0.19 -0.06 0.08 -1.14 0.00 0.00 176.83 175.90 3kp3 h ARG 70 N -0.44 -0.17 -1.01 3.45 0.11 -1.38 -1.14 114.38 113.82 3kp3 h ARG 70 Ca -0.01 0.01 0.29 0.00 0.10 0.00 0.00 59.98 60.37 3kp3 h ARG 70 Cb 0.36 0.04 -0.14 0.00 1.11 0.00 0.00 29.97 31.34 3kp3 h ARG 70 CO 0.02 0.25 0.59 0.00 0.10 0.00 0.00 179.97 180.93 3kp3 h ARG 71 N -0.65 0.41 0.52 0.08 2.47 -1.54 0.47 114.38 116.14 3kp3 h ARG 71 Ca -0.02 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 3kp3 h ARG 71 Cb 0.49 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.73 3kp3 h ARG 71 CO 0.03 0.27 -0.25 0.28 0.56 0.00 0.00 179.97 180.86 3kp3 h VAL 72 N 0.42 0.31 0.00 2.04 2.07 -1.18 -3.12 116.25 116.78 3kp3 h VAL 72 Ca 0.70 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 3kp3 h VAL 72 Cb 1.51 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3kp3 h VAL 72 CO -0.55 0.05 -0.23 0.11 0.02 0.00 0.00 177.57 176.97 3kp3 h LYS 73 N -1.03 0.00 0.00 1.57 1.57 -0.19 -0.73 116.57 117.76 3kp3 h LYS 73 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kp3 h LYS 73 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3kp3 h LYS 73 CO 0.12 0.23 0.00 0.87 -0.57 0.00 0.00 179.45 180.09 3kp3 h LYS 74 N 0.00 0.00 0.00 3.15 1.57 -0.14 0.22 116.57 121.37 3kp3 h LYS 74 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3kp3 h LYS 74 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3kp3 h LYS 74 CO 0.03 0.00 -1.25 1.28 -0.57 0.00 0.00 179.45 178.94 3kp3 n LEU 75 N -2.53 0.78 -0.03 2.94 4.77 -0.29 -2.97 117.00 119.67 3kp3 n LEU 75 Ca 0.00 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.18 3kp3 n LEU 75 Cb 0.17 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 3kp3 n LEU 75 CO 0.18 -0.04 0.43 -0.07 -1.33 0.00 0.00 177.39 176.56 3kp3 h LEU 76 N 0.00 -0.03 -2.59 2.23 -0.00 -0.88 -0.15 115.31 113.89 3kp3 h LEU 76 Ca -0.07 -0.69 0.01 0.00 -0.00 0.00 0.00 57.88 57.13 3kp3 h LEU 76 Cb 1.24 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.90 3kp3 h LEU 76 CO 0.02 0.73 0.11 -1.13 -0.00 0.00 0.00 178.44 178.16 3kp3 h ASN 77 N -0.85 0.00 -0.46 -0.43 -0.73 -1.25 0.38 115.58 112.24 3kp3 h ASN 77 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3kp3 h ASN 77 Cb 0.72 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.31 3kp3 h ASN 77 CO 0.01 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.07 3kp3 n ALA 78 N -2.12 2.38 -3.90 1.57 0.00 -1.16 -4.98 120.51 112.31 3kp3 n ALA 78 Ca -0.02 -1.08 -0.25 0.00 0.00 0.00 0.00 53.44 52.09 3kp3 n ALA 78 Cb 0.18 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 3kp3 n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kp3 n GLU 79 N 1.37 -3.76 -0.05 0.00 1.02 0.13 -4.88 120.64 114.46 3kp3 n GLU 79 Ca 0.19 0.46 -0.06 0.00 -0.02 0.00 0.00 57.16 57.74 3kp3 n GLU 79 Cb 0.57 -4.74 -0.08 0.00 -0.02 0.00 0.00 31.44 27.17 3kp3 n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kp3 n LEU 80 N -4.38 0.24 -4.25 -4.62 4.77 -0.10 -4.39 117.00 104.27 3kp3 n LEU 80 Ca -0.28 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.52 3kp3 n LEU 80 Cb 0.67 0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.86 3kp3 n LEU 80 CO 0.74 0.30 -0.44 0.68 -1.33 0.00 0.00 177.39 177.34 3kp3 s VAL 81 N -2.26 1.34 0.07 4.08 -7.23 -1.07 0.22 120.40 115.55 3kp3 s VAL 81 Ca -0.06 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 3kp3 s VAL 81 Cb 0.03 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.33 3kp3 s VAL 81 CO 0.43 -0.50 0.04 2.29 -0.31 0.00 0.00 175.10 177.06 3kp3 n LYS 82 N 0.31 0.39 -3.63 4.82 2.85 0.16 -4.33 118.16 118.73 3kp3 n LYS 82 Ca -0.14 -0.66 -0.21 0.00 -1.05 0.00 0.00 58.31 56.25 3kp3 n LYS 82 Cb 0.58 0.47 -0.03 0.00 -0.65 0.00 0.00 35.03 35.39 3kp3 n LYS 82 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kp3 s LEU 83 N 0.00 3.39 0.00 -5.58 1.43 -1.26 -1.96 118.68 114.69 3kp3 s LEU 83 Ca 0.06 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3kp3 s LEU 83 Cb 0.00 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3kp3 s LEU 83 CO 0.04 -0.62 0.00 1.21 0.23 0.00 0.00 176.35 177.22 3kp3 n GLU 84 N -1.51 0.00 0.00 1.70 2.13 -1.26 -4.77 120.64 116.94 3kp3 n GLU 84 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3kp3 n GLU 84 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 3kp3 n GLU 84 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3kp3 n LYS 95 N 0.00 0.00 -0.76 5.31 5.02 -1.26 -5.10 118.16 121.37 3kp3 n LYS 95 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kp3 n LYS 95 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kp3 n LYS 95 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3kp3 n ILE 96 N 0.00 -1.52 -2.81 -0.18 5.41 -1.26 -5.02 119.36 113.98 3kp3 n ILE 96 Ca 0.00 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 3kp3 n ILE 96 Cb 0.00 -1.80 -0.04 0.00 -0.71 0.00 0.00 39.64 37.09 3kp3 n ILE 96 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kp3 s ILE 97 N 0.00 4.49 0.53 1.39 -1.09 0.42 -4.47 121.20 122.48 3kp3 s ILE 97 Ca 0.00 0.88 0.04 0.00 -2.23 0.00 0.00 60.65 59.35 3kp3 s ILE 97 Cb 0.00 -4.41 0.02 0.00 -1.58 0.00 0.00 42.46 36.49 3kp3 s ILE 97 CO 0.00 -0.76 0.29 -1.59 -1.23 0.00 0.00 174.94 171.65 3kp3 s LYS 98 N 3.70 2.24 -0.05 2.79 -2.85 -0.83 -2.50 119.74 122.24 3kp3 s LYS 98 Ca 0.38 -2.11 -0.04 0.00 -1.00 0.00 0.00 55.97 53.20 3kp3 s LYS 98 Cb -0.10 -1.95 -0.04 0.00 -2.06 0.00 0.00 37.83 33.68 3kp3 s LYS 98 CO 0.24 -0.52 0.15 -0.51 0.10 0.00 0.00 175.35 174.81 3kp3 s LEU 99 N -4.16 4.28 0.31 2.77 1.43 -1.26 0.40 118.68 122.46 3kp3 s LEU 99 Ca 0.27 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.64 3kp3 s LEU 99 Cb -0.01 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.80 3kp3 s LEU 99 CO 0.16 0.32 0.63 -0.94 0.23 0.00 0.00 176.35 176.75 3kp3 s SER 100 N -1.56 6.53 0.43 2.29 1.04 0.13 -4.70 113.70 117.86 3kp3 s SER 100 Ca 0.22 0.91 0.19 0.00 0.48 0.00 0.00 55.95 57.75 3kp3 s SER 100 Cb -0.12 -2.23 1.13 0.00 0.10 0.00 0.00 66.02 64.90 3kp3 s SER 100 CO 0.12 -0.23 1.85 0.78 0.98 0.00 0.00 173.24 176.75 3kp3 h ASN 101 N 1.78 0.37 -0.19 7.02 4.21 -1.87 0.88 115.58 127.79 3kp3 h ASN 101 Ca -0.47 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.07 3kp3 h ASN 101 Cb 1.18 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 3kp3 h ASN 101 CO 0.66 0.14 0.08 0.11 -1.29 0.00 0.00 177.43 177.13 3kp3 h LYS 102 N 0.36 0.28 -0.28 0.81 1.79 -1.86 -1.48 116.57 116.18 3kp3 h LYS 102 Ca 0.47 -0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.98 3kp3 h LYS 102 Cb 1.24 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 3kp3 h LYS 102 CO -0.17 0.35 0.22 0.78 -1.08 0.00 0.00 179.45 179.55 3kp3 h GLY 103 N 0.15 0.00 0.46 3.86 0.00 0.60 -2.46 103.07 105.68 3kp3 h GLY 103 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3kp3 h GLY 103 CO -0.01 0.00 -0.18 0.50 0.00 0.00 0.00 176.54 176.85 3kp3 h LYS 104 N 0.00 -0.49 -1.57 4.80 1.57 0.13 -2.89 116.57 118.12 3kp3 h LYS 104 Ca 0.14 0.03 0.46 0.00 -1.87 0.00 0.00 60.65 59.40 3kp3 h LYS 104 Cb 0.56 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 3kp3 h LYS 104 CO -0.00 -0.22 1.24 0.87 -0.57 0.00 0.00 179.45 180.77 3kp3 h LYS 105 N -1.05 0.00 0.30 3.15 1.57 -0.89 0.72 116.57 120.37 3kp3 h LYS 105 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3kp3 h LYS 105 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3kp3 h LYS 105 CO 0.08 0.00 -0.15 -0.92 -0.57 0.00 0.00 179.45 177.90 3kp3 h TYR 106 N 0.00 -0.38 -0.05 -1.35 3.20 -1.34 -1.92 116.97 115.13 3kp3 h TYR 106 Ca 0.75 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.62 3kp3 h TYR 106 Cb 3.23 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 41.62 3kp3 h TYR 106 CO 0.00 -0.04 0.04 0.82 -1.64 0.00 0.00 178.16 177.35 3kp3 h ILE 107 N -0.91 0.92 -0.31 1.81 1.08 0.53 -0.38 117.51 120.24 3kp3 h ILE 107 Ca -0.04 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.37 3kp3 h ILE 107 Cb 0.51 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 3kp3 h ILE 107 CO 0.07 0.00 -0.04 0.11 -0.69 0.00 0.00 178.15 177.59 3kp3 h LYS 108 N 0.00 0.59 0.00 2.37 1.79 -0.82 -1.00 116.57 119.50 3kp3 h LYS 108 Ca 0.03 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 3kp3 h LYS 108 Cb 0.11 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3kp3 h LYS 108 CO -0.00 0.75 0.00 -1.91 -1.08 0.00 0.00 179.45 177.21 3kp3 n GLU 109 N -4.50 0.30 -0.06 3.15 2.13 -0.42 -1.41 120.64 119.83 3kp3 n GLU 109 Ca -0.03 0.06 -0.19 0.00 0.66 0.00 0.00 57.16 57.66 3kp3 n GLU 109 Cb 0.30 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.38 3kp3 n GLU 109 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3kp3 h ARG 110 N 0.00 0.08 0.64 5.31 2.43 -0.28 -3.13 114.38 119.44 3kp3 h ARG 110 Ca 0.00 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3kp3 h ARG 110 Cb 0.25 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3kp3 h ARG 110 CO 0.00 1.06 -0.38 0.87 -1.51 0.00 0.00 179.97 180.01 3kp3 h LYS 111 N -0.79 -0.92 -0.98 0.20 1.57 -1.08 0.80 116.57 115.37 3kp3 h LYS 111 Ca -0.22 0.06 0.39 0.00 -1.87 0.00 0.00 60.65 59.01 3kp3 h LYS 111 Cb 1.35 0.21 -0.15 0.00 0.08 0.00 0.00 32.23 33.72 3kp3 h LYS 111 CO -0.06 -0.62 0.56 0.00 -0.57 0.00 0.00 179.45 178.76 3kp3 n ALA 112 N -2.59 1.00 -0.08 3.86 0.00 -0.50 0.67 120.51 122.86 3kp3 n ALA 112 Ca -0.13 0.89 -0.16 0.00 0.00 0.00 0.00 53.44 54.04 3kp3 n ALA 112 Cb 0.41 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 3kp3 n ALA 112 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kp3 h ILE 113 N 0.00 1.14 -0.26 0.00 2.04 -1.39 -3.30 117.51 115.74 3kp3 h ILE 113 Ca 0.77 -2.08 0.06 0.00 1.00 0.00 0.00 64.86 64.62 3kp3 h ILE 113 Cb 2.15 2.38 -0.07 0.00 -0.74 0.00 0.00 36.82 40.53 3kp3 h ILE 113 CO -0.63 0.39 -0.24 0.24 0.00 0.00 0.00 178.15 177.91 3kp3 h MET 114 N -1.00 -0.23 -0.13 2.37 2.86 0.16 -2.19 114.93 116.78 3kp3 h MET 114 Ca -0.16 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3kp3 h MET 114 Cb 1.03 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 3kp3 h MET 114 CO -0.10 -0.15 0.11 0.77 1.06 0.00 0.00 176.91 178.60 3kp3 h SER 115 N -0.24 0.00 -0.04 1.22 0.02 0.06 0.35 113.55 114.93 3kp3 h SER 115 Ca 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3kp3 h SER 115 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3kp3 h SER 115 CO -0.39 0.00 -0.07 -0.74 -1.14 0.00 0.00 176.83 174.49 3kp3 h HIS 116 N 0.00 0.14 0.00 3.45 6.17 -1.47 -2.23 115.15 121.21 3kp3 h HIS 116 Ca 0.06 -0.05 -0.15 0.00 0.71 0.00 0.00 60.37 60.94 3kp3 h HIS 116 Cb 0.28 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.16 3kp3 h HIS 116 CO 0.00 0.64 -0.72 -0.84 0.71 0.00 0.00 177.93 177.72 3kp3 h ILE 117 N -0.41 1.33 0.27 6.26 -0.00 -1.51 -3.14 117.51 120.31 3kp3 h ILE 117 Ca 0.00 -2.65 -0.01 0.00 -0.00 0.00 0.00 64.86 62.20 3kp3 h ILE 117 Cb 0.63 2.50 0.00 0.00 -0.00 0.00 0.00 36.82 39.95 3kp3 h ILE 117 CO 0.01 0.71 -0.14 0.00 -0.00 0.00 0.00 178.15 178.73 3kp3 h ALA 118 N 1.28 -0.37 0.00 0.16 0.00 -0.93 -2.62 119.26 116.77 3kp3 h ALA 118 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kp3 h ALA 118 Cb 1.45 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3kp3 h ALA 118 CO 0.09 -0.71 0.00 0.66 0.00 0.00 0.00 179.25 179.29 3kp3 h SER 119 N -0.38 0.00 0.04 0.00 4.64 -1.46 -2.92 113.55 113.48 3kp3 h SER 119 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3kp3 h SER 119 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3kp3 h SER 119 CO 0.05 0.00 -0.02 0.44 -0.87 0.00 0.00 176.83 176.43 3kp3 h ASP 120 N 0.00 -0.04 0.00 4.97 3.32 -1.42 -0.02 116.42 123.23 3kp3 h ASP 120 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3kp3 h ASP 120 Cb 0.44 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3kp3 h ASP 120 CO 0.00 0.14 0.00 0.23 -1.72 0.00 0.00 179.24 177.89 3kp3 n MET 121 N -5.03 0.78 0.00 3.56 2.81 -1.11 -3.09 117.12 115.03 3kp3 n MET 121 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3kp3 n MET 121 Cb 0.12 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 3kp3 n MET 121 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3kp3 n THR 122 N -0.89 0.51 0.16 2.03 -2.24 -0.82 -4.80 114.28 108.21 3kp3 n THR 122 Ca 0.15 -0.56 0.16 0.00 -2.27 0.00 0.00 64.05 61.53 3kp3 n THR 122 Cb 0.07 0.81 0.75 0.00 -2.10 0.00 0.00 70.33 69.87 3kp3 n THR 122 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kp3 h SER 123 N 0.00 0.00 -0.37 3.42 4.64 -0.95 -2.86 113.55 117.43 3kp3 h SER 123 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 3kp3 h SER 123 Cb 0.60 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.54 3kp3 h SER 123 CO 0.00 0.00 -0.32 -0.90 -0.87 0.00 0.00 176.83 174.74 3kp3 n ASP 124 N -4.10 3.05 -4.85 4.97 5.75 -1.26 -5.03 116.55 115.08 3kp3 n ASP 124 Ca 0.03 -3.82 -0.38 0.00 -0.01 0.00 0.00 54.79 50.61 3kp3 n ASP 124 Cb 0.36 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 39.83 3kp3 n ASP 124 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kp3 s PHE 125 N -3.36 3.68 -0.89 2.11 2.99 -1.08 -4.99 117.98 116.44 3kp3 s PHE 125 Ca 0.45 0.84 -0.25 0.00 0.00 0.00 0.00 56.93 57.98 3kp3 s PHE 125 Cb 0.40 -2.18 -0.05 0.00 0.00 0.00 0.00 43.02 41.19 3kp3 s PHE 125 CO -0.02 0.66 1.96 0.34 -0.00 0.00 0.00 175.22 178.16 3kp3 s ASP 126 N -1.02 5.12 0.48 1.36 -1.08 -1.26 -4.78 116.67 115.49 3kp3 s ASP 126 Ca 0.21 -0.62 0.27 0.00 -0.52 0.00 0.00 52.55 51.89 3kp3 s ASP 126 Cb -0.15 -2.56 0.93 0.00 -1.46 0.00 0.00 42.92 39.68 3kp3 s ASP 126 CO 0.10 -2.76 1.11 -1.54 0.52 0.00 0.00 175.17 172.61 3kp3 n SER 127 N 14.05 0.00 0.03 -0.34 3.41 -1.26 0.24 113.62 129.75 3kp3 n SER 127 Ca 0.40 0.67 -0.21 0.00 -0.26 0.00 0.00 58.87 59.46 3kp3 n SER 127 Cb 0.47 -0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 64.01 3kp3 n SER 127 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kp3 h LYS 128 N 0.00 0.29 -0.45 4.33 1.79 -2.00 -2.87 116.57 117.66 3kp3 h LYS 128 Ca 0.51 -0.50 0.10 0.00 -2.18 0.00 0.00 60.65 58.58 3kp3 h LYS 128 Cb 2.59 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 33.40 3kp3 h LYS 128 CO -0.01 1.24 0.31 0.93 -1.08 0.00 0.00 179.45 180.84 3kp3 h GLU 129 N -0.26 0.16 -0.11 3.15 5.08 0.27 -0.81 114.58 122.06 3kp3 h GLU 129 Ca -0.26 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 57.86 3kp3 h GLU 129 Cb 1.79 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 31.01 3kp3 h GLU 129 CO 0.11 0.11 -0.83 0.82 -1.00 0.00 0.00 179.01 178.22 3kp3 h ILE 130 N 0.16 1.28 -0.01 3.13 1.08 -1.34 -2.94 117.51 118.88 3kp3 h ILE 130 Ca 0.21 -2.03 0.03 0.00 -0.39 0.00 0.00 64.86 62.68 3kp3 h ILE 130 Cb 0.61 2.11 -0.05 0.00 -3.07 0.00 0.00 36.82 36.41 3kp3 h ILE 130 CO -0.03 0.64 -0.35 -0.33 -0.69 0.00 0.00 178.15 177.39 3kp3 h GLU 131 N 0.47 -0.48 -1.00 2.37 5.08 -0.92 -0.45 114.58 119.65 3kp3 h GLU 131 Ca -0.07 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.51 3kp3 h GLU 131 Cb 1.46 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 30.72 3kp3 h GLU 131 CO 0.17 -0.32 0.61 -0.22 -1.00 0.00 0.00 179.01 178.25 3kp3 h LYS 132 N -0.50 0.74 -0.38 2.33 3.64 -1.50 -0.93 116.57 119.98 3kp3 h LYS 132 Ca 0.06 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3kp3 h LYS 132 Cb 0.59 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3kp3 h LYS 132 CO -0.29 0.49 0.16 0.28 -2.27 0.00 0.00 179.45 177.83 3kp3 h VAL 133 N 0.77 1.18 -0.49 2.00 2.07 -1.05 -2.99 116.25 117.74 3kp3 h VAL 133 Ca 0.58 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 3kp3 h VAL 133 Cb 0.88 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3kp3 h VAL 133 CO -0.38 0.20 0.07 -0.09 0.02 0.00 0.00 177.57 177.38 3kp3 h ARG 134 N 0.46 0.77 -0.32 1.57 2.43 0.21 -2.44 114.38 117.07 3kp3 h ARG 134 Ca 0.13 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3kp3 h ARG 134 Cb 0.16 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3kp3 h ARG 134 CO -0.01 0.73 0.06 1.96 -1.51 0.00 0.00 179.97 181.19 3kp3 h GLN 135 N 0.73 0.16 0.16 0.20 4.20 -1.22 0.69 115.11 120.02 3kp3 h GLN 135 Ca 0.16 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3kp3 h GLN 135 Cb 0.35 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3kp3 h GLN 135 CO 0.01 0.11 -0.08 0.28 -0.67 0.00 0.00 178.83 178.48 3kp3 h VAL 136 N 0.17 0.85 -0.70 -0.54 2.07 -1.44 -0.29 116.25 116.36 3kp3 h VAL 136 Ca 0.15 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3kp3 h VAL 136 Cb 0.17 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3kp3 h VAL 136 CO -0.21 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 177.73 3kp3 h LEU 137 N -0.22 0.86 -0.43 2.57 3.38 -1.00 0.08 115.31 120.55 3kp3 h LEU 137 Ca -0.02 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3kp3 h LEU 137 Cb 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3kp3 h LEU 137 CO 0.04 0.68 0.23 -0.33 0.09 0.00 0.00 178.44 179.14 3kp3 h GLU 138 N 0.96 0.44 -0.33 1.13 5.08 0.60 1.04 114.58 123.51 3kp3 h GLU 138 Ca 0.25 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3kp3 h GLU 138 Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3kp3 h GLU 138 CO -0.05 0.29 -0.06 0.82 -1.00 0.00 0.00 179.01 179.02 3kp3 h ILE 139 N 0.46 1.21 -0.17 3.13 2.04 -0.48 0.35 117.51 124.04 3kp3 h ILE 139 Ca 0.18 -0.90 -0.18 0.00 1.00 0.00 0.00 64.86 64.96 3kp3 h ILE 139 Cb 0.07 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3kp3 h ILE 139 CO -0.11 0.30 -0.62 0.40 0.00 0.00 0.00 178.15 178.12 3kp3 h ILE 140 N 0.50 1.32 0.37 -0.67 2.04 0.13 -0.61 117.51 120.58 3kp3 h ILE 140 Ca 0.10 -1.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 3kp3 h ILE 140 Cb 0.41 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3kp3 h ILE 140 CO 0.02 0.59 -0.18 -0.78 0.00 0.00 0.00 178.15 177.80 3kp3 h ASP 141 N 0.44 -0.42 -0.47 1.72 3.58 0.21 0.23 116.42 121.70 3kp3 h ASP 141 Ca -0.01 -0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.51 3kp3 h ASP 141 Cb 1.18 0.11 -0.08 0.00 1.72 0.00 0.00 39.33 42.26 3kp3 h ASP 141 CO 0.12 -0.25 -0.05 0.22 -2.88 0.00 0.00 179.24 176.40 3kp3 h TYR 142 N -0.55 -0.12 0.00 0.28 3.20 -0.30 0.28 116.97 119.76 3kp3 h TYR 142 Ca -0.05 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3kp3 h TYR 142 Cb 0.41 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 3kp3 h TYR 142 CO -0.04 -0.15 -0.09 0.00 -1.64 0.00 0.00 178.16 176.25 3kp3 h ARG 143 N 0.06 0.00 -0.00 1.82 3.08 -0.63 0.61 114.38 119.32 3kp3 h ARG 143 Ca 0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 3kp3 h ARG 143 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3kp3 h ARG 143 CO -0.44 0.09 -0.04 0.82 -1.07 0.00 0.00 179.97 179.34 3kp3 h ILE 144 N 0.00 1.57 0.35 2.04 2.04 0.14 -2.60 117.51 121.04 3kp3 h ILE 144 Ca -0.00 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.15 3kp3 h ILE 144 Cb 0.17 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.94 3kp3 h ILE 144 CO 0.01 0.45 -0.32 1.56 0.00 0.00 0.00 178.15 179.85 3kp3 h GLN 145 N -0.67 -0.67 -0.11 2.37 4.20 -0.84 0.28 115.11 119.67 3kp3 h GLN 145 Ca -0.00 0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3kp3 h GLN 145 Cb 0.75 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3kp3 h GLN 145 CO 0.01 -0.44 -0.07 0.45 -0.67 0.00 0.00 178.83 178.11 3kp3 n SER 146 N -5.44 -0.12 -0.16 1.46 2.88 0.18 -1.18 113.62 111.24 3kp3 n SER 146 Ca -0.10 1.03 -0.02 0.00 -1.33 0.00 0.00 58.87 58.45 3kp3 n SER 146 Cb 0.34 -0.44 0.06 0.00 -0.75 0.00 0.00 64.21 63.42 3kp3 n SER 146 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3kp3 h TYR 147 N 0.00 -0.06 -1.38 0.66 5.03 -1.20 -2.07 116.97 117.95 3kp3 h TYR 147 Ca 0.02 0.04 0.41 0.00 2.58 0.00 0.00 58.73 61.77 3kp3 h TYR 147 Cb 0.05 0.11 -0.08 0.00 1.55 0.00 0.00 36.73 38.35 3kp3 h TYR 147 CO -0.89 -0.13 0.96 1.15 -1.32 0.00 0.00 178.16 177.92 3kp3 h THR 148 N 0.10 0.27 0.87 1.81 2.02 0.11 -2.17 112.91 115.92 3kp3 h THR 148 Ca 0.26 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 3kp3 h THR 148 Cb 0.40 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3kp3 h THR 148 CO -0.44 0.01 -0.42 0.28 0.37 0.00 0.00 175.52 175.32 3kp3 h SER 149 N 0.08 -0.99 -0.96 4.18 0.02 -1.10 -3.45 113.55 111.34 3kp3 h SER 149 Ca 0.72 0.03 -0.77 0.00 -0.84 0.00 0.00 61.79 60.93 3kp3 h SER 149 Cb 2.58 0.26 0.04 0.00 0.14 0.00 0.00 62.40 65.41 3kp3 h SER 149 CO -0.15 -0.64 0.17 0.29 -1.14 0.00 0.00 176.83 175.36 3kp3 n LYS 150 N -5.55 0.00 0.00 3.45 5.02 -0.82 -5.18 118.16 115.08 3kp3 n LYS 150 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3kp3 n LYS 150 Cb 0.46 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3kp3 n LYS 150 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77