#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 n MET 2 N 0.00 1.74 -1.14 4.33 0.00 -1.26 -4.83 117.12 115.97 3kc4 n MET 2 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 57.70 56.53 3kc4 n MET 2 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.74 3kc4 n MET 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 3kc4 n GLN 3 N 0.39 0.00 0.00 0.03 7.27 -1.26 -5.03 117.38 118.78 3kc4 n GLN 3 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 3kc4 n GLN 3 Cb 0.42 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.33 3kc4 n GLN 3 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3kc4 n ASP 4 N 1.00 0.00 0.16 1.69 -0.08 -1.26 -4.73 116.55 113.33 3kc4 n ASP 4 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 3kc4 n ASP 4 Cb 0.27 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.66 3kc4 n ASP 4 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kc4 h PRO 5 N 0.00 -0.45 -1.00 -0.67 0.11 -1.96 -2.16 132.00 125.87 3kc4 h PRO 5 Ca 0.00 0.03 0.23 0.00 0.11 0.00 0.00 66.00 66.37 3kc4 h PRO 5 Cb 0.00 0.10 -0.12 0.00 0.11 0.00 0.00 31.00 31.09 3kc4 h PRO 5 CO 0.00 -0.15 0.59 0.82 -0.21 0.00 0.00 178.00 179.04 3kc4 h ILE 6 N -0.99 0.57 0.08 4.15 1.08 -1.98 0.72 117.51 121.15 3kc4 h ILE 6 Ca -0.05 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3kc4 h ILE 6 Cb 0.51 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 3kc4 h ILE 6 CO 0.08 0.11 -0.09 0.00 -0.69 0.00 0.00 178.15 177.56 3kc4 h ALA 7 N 1.71 -0.17 -0.91 1.87 0.00 -1.96 0.39 119.26 120.18 3kc4 h ALA 7 Ca 0.63 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.75 3kc4 h ALA 7 Cb 1.14 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 3kc4 h ALA 7 CO -0.46 -0.61 0.39 0.22 0.00 0.00 0.00 179.25 178.79 3kc4 h ASP 8 N -0.20 0.30 0.11 0.00 3.58 -0.64 0.24 116.42 119.81 3kc4 h ASP 8 Ca 0.01 0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 3kc4 h ASP 8 Cb 0.20 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 3kc4 h ASP 8 CO -0.03 -0.05 -0.08 -0.03 -2.88 0.00 0.00 179.24 176.16 3kc4 h MET 9 N 0.35 -0.17 -0.60 0.28 4.05 -0.36 -0.58 114.93 117.90 3kc4 h MET 9 Ca 0.59 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 60.12 3kc4 h MET 9 Cb 1.17 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.94 3kc4 h MET 9 CO -0.57 -0.12 0.19 -0.07 0.23 0.00 0.00 176.91 176.58 3kc4 h LEU 10 N -0.18 0.15 -0.39 3.39 3.38 0.15 -2.25 115.31 119.56 3kc4 h LEU 10 Ca -0.01 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kc4 h LEU 10 Cb 0.15 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kc4 h LEU 10 CO 0.01 0.09 0.23 0.74 0.09 0.00 0.00 178.44 179.60 3kc4 h THR 11 N 0.35 1.13 0.00 0.22 2.02 -0.57 -2.45 112.91 113.62 3kc4 h THR 11 Ca 0.31 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kc4 h THR 11 Cb 0.42 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3kc4 h THR 11 CO -0.34 0.13 -0.44 -1.14 0.37 0.00 0.00 175.52 174.10 3kc4 n ARG 12 N -4.77 0.28 -0.05 6.66 0.63 -0.23 -1.53 116.66 117.66 3kc4 n ARG 12 Ca 0.00 0.12 -0.13 0.00 -0.92 0.00 0.00 57.85 56.93 3kc4 n ARG 12 Cb 0.06 -1.72 -0.11 0.00 0.45 0.00 0.00 32.46 31.14 3kc4 n ARG 12 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3kc4 h ILE 13 N 0.00 1.55 -0.35 5.15 2.04 -1.35 0.49 117.51 125.03 3kc4 h ILE 13 Ca 0.00 -1.92 -0.16 0.00 1.00 0.00 0.00 64.86 63.77 3kc4 h ILE 13 Cb 0.74 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 3kc4 h ILE 13 CO 0.00 0.48 -0.42 0.08 0.00 0.00 0.00 178.15 178.29 3kc4 h ARG 14 N -0.88 0.88 -0.87 2.37 0.11 -1.41 0.16 114.38 114.74 3kc4 h ARG 14 Ca -0.00 -0.48 0.09 0.00 0.10 0.00 0.00 59.98 59.69 3kc4 h ARG 14 Cb 0.80 0.02 -0.06 0.00 1.11 0.00 0.00 29.97 31.84 3kc4 h ARG 14 CO 0.00 1.13 0.56 -0.91 0.10 0.00 0.00 179.97 180.85 3kc4 h ASN 15 N 0.71 0.78 0.03 0.08 2.35 -1.38 -3.14 115.58 115.01 3kc4 h ASN 15 Ca 0.05 0.02 -0.37 0.00 -0.55 0.00 0.00 56.30 55.45 3kc4 h ASN 15 Cb 1.01 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 39.17 3kc4 h ASN 15 CO 0.10 0.46 -2.36 0.61 -1.65 0.00 0.00 177.43 174.59 3kc4 n GLY 16 N -1.41 -0.87 0.22 2.83 0.00 0.16 -2.17 105.19 103.95 3kc4 n GLY 16 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 3kc4 n GLY 16 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kc4 h GLN 17 N 0.00 -0.03 -0.31 1.61 4.20 -0.83 0.64 115.11 120.39 3kc4 h GLN 17 Ca -0.54 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.10 3kc4 h GLN 17 Cb 2.16 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.93 3kc4 h GLN 17 CO 0.01 -0.02 -0.13 0.00 -0.67 0.00 0.00 178.83 178.02 3kc4 h ALA 18 N 1.42 1.20 0.00 3.87 0.00 -1.66 -1.71 119.26 122.38 3kc4 h ALA 18 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kc4 h ALA 18 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kc4 h ALA 18 CO -0.53 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3kc4 n ALA 19 N -2.48 2.35 -1.19 0.00 0.00 -0.68 -4.84 120.51 113.67 3kc4 n ALA 19 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kc4 n ALA 19 Cb 0.33 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3kc4 n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kc4 n ASN 20 N -1.25 -1.74 -4.71 0.00 3.02 -0.46 -5.03 115.26 105.09 3kc4 n ASN 20 Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 3kc4 n ASN 20 Cb 0.20 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 3kc4 n ASN 20 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kc4 s LYS 21 N -2.46 4.27 -0.18 3.52 1.02 0.09 -4.89 119.74 121.11 3kc4 s LYS 21 Ca 0.00 2.19 0.16 0.00 0.02 0.00 0.00 55.97 58.35 3kc4 s LYS 21 Cb 0.00 -3.24 0.54 0.00 -0.52 0.00 0.00 37.83 34.61 3kc4 s LYS 21 CO 0.00 -0.52 1.44 0.00 -0.92 0.00 0.00 175.35 175.34 3kc4 n ALA 22 N 4.10 3.02 0.00 5.17 0.00 -1.26 -3.78 120.51 127.76 3kc4 n ALA 22 Ca 0.13 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.30 3kc4 n ALA 22 Cb 0.41 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3kc4 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 n ALA 23 N -0.43 0.00 -2.47 0.00 0.00 -1.26 -0.81 120.51 115.53 3kc4 n ALA 23 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.43 3kc4 n ALA 23 Cb 0.90 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.24 3kc4 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kc4 s VAL 24 N -0.60 1.54 0.09 0.00 0.11 -0.36 -4.86 120.40 116.31 3kc4 s VAL 24 Ca 0.00 -2.05 0.06 0.00 -2.93 0.00 0.00 61.98 57.05 3kc4 s VAL 24 Cb 0.00 -2.69 -0.03 0.00 -1.53 0.00 0.00 36.38 32.12 3kc4 s VAL 24 CO 0.00 -0.12 -0.15 0.28 -3.33 0.00 0.00 175.10 171.78 3kc4 s THR 25 N -3.06 1.22 -0.02 5.04 -1.32 -1.26 -1.05 115.64 115.20 3kc4 s THR 25 Ca 0.33 -1.42 -0.29 0.00 -1.21 0.00 0.00 61.69 59.10 3kc4 s THR 25 Cb 0.07 -1.23 0.10 0.00 -1.51 0.00 0.00 72.50 69.94 3kc4 s THR 25 CO 0.15 -0.25 0.88 0.00 -2.21 0.00 0.00 174.62 173.19 3kc4 s MET 26 N -1.97 0.82 0.05 7.08 0.00 -0.82 -4.86 119.30 119.61 3kc4 s MET 26 Ca 0.01 -0.23 -0.34 0.00 0.00 0.00 0.00 55.69 55.13 3kc4 s MET 26 Cb -0.09 0.38 -0.12 0.00 0.00 0.00 0.00 34.83 35.00 3kc4 s MET 26 CO 0.03 -0.35 1.75 -2.30 0.00 0.00 0.00 175.02 174.15 3kc4 n PRO 27 N -0.09 2.27 -3.39 3.16 -0.02 -1.26 0.75 135.00 136.43 3kc4 n PRO 27 Ca -0.10 0.83 -0.44 0.00 -2.02 0.00 0.00 63.50 61.77 3kc4 n PRO 27 Cb 0.61 -2.65 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 3kc4 n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kc4 s SER 28 N 2.50 6.15 0.73 2.55 0.15 0.12 -4.69 113.70 121.20 3kc4 s SER 28 Ca 0.85 -1.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.34 3kc4 s SER 28 Cb -0.65 -2.19 0.04 0.00 -1.71 0.00 0.00 66.02 61.51 3kc4 s SER 28 CO 0.43 -0.58 1.11 -0.55 1.20 0.00 0.00 173.24 174.85 3kc4 s SER 29 N 2.14 4.65 0.22 5.45 0.15 -1.26 -4.62 113.70 120.43 3kc4 s SER 29 Ca 0.06 1.96 -0.19 0.00 0.70 0.00 0.00 55.95 58.49 3kc4 s SER 29 Cb -0.21 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 61.77 3kc4 s SER 29 CO 0.09 -1.94 1.55 0.50 1.20 0.00 0.00 173.24 174.65 3kc4 h LYS 30 N -0.59 -0.02 -0.75 5.44 3.64 -1.99 0.41 116.57 122.70 3kc4 h LYS 30 Ca -0.45 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 3kc4 h LYS 30 Cb 1.24 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 3kc4 h LYS 30 CO 0.52 -0.01 0.47 1.25 -2.27 0.00 0.00 179.45 179.41 3kc4 h LEU 31 N -0.02 0.77 -1.78 5.20 5.85 -2.00 -3.18 115.31 120.14 3kc4 h LEU 31 Ca 0.32 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.15 3kc4 h LEU 31 Cb 0.58 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3kc4 h LEU 31 CO -0.95 0.53 0.36 0.11 -0.34 0.00 0.00 178.44 178.14 3kc4 h LYS 32 N 0.91 0.24 0.31 1.25 1.57 -1.26 -1.02 116.57 118.57 3kc4 h LYS 32 Ca 0.31 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3kc4 h LYS 32 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3kc4 h LYS 32 CO -0.12 0.16 -0.15 0.28 -0.57 0.00 0.00 179.45 179.05 3kc4 h VAL 33 N 0.25 0.00 -0.43 0.50 2.07 -1.53 -3.04 116.25 114.08 3kc4 h VAL 33 Ca 0.25 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.86 3kc4 h VAL 33 Cb 0.64 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3kc4 h VAL 33 CO -0.05 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.14 3kc4 h ALA 34 N -1.78 2.12 0.04 1.67 0.00 -1.31 -1.89 119.26 118.11 3kc4 h ALA 34 Ca -0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3kc4 h ALA 34 Cb 0.31 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kc4 h ALA 34 CO 0.07 -0.82 -0.73 0.82 0.00 0.00 0.00 179.25 178.59 3kc4 h ILE 35 N 0.00 1.37 0.00 0.00 2.04 -1.46 -3.29 117.51 116.17 3kc4 h ILE 35 Ca 0.20 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.73 3kc4 h ILE 35 Cb 1.39 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.39 3kc4 h ILE 35 CO -0.00 0.56 0.33 0.00 0.00 0.00 0.00 178.15 179.03 3kc4 h ALA 36 N -0.13 1.29 -0.58 1.87 0.00 -1.21 -0.55 119.26 119.94 3kc4 h ALA 36 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3kc4 h ALA 36 Cb 1.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3kc4 h ALA 36 CO -0.03 -0.29 0.04 -0.91 0.00 0.00 0.00 179.25 178.06 3kc4 h ASN 37 N 0.00 0.97 0.09 0.00 4.21 -1.63 -3.14 115.58 116.09 3kc4 h ASN 37 Ca 0.00 -0.29 -0.29 0.00 1.21 0.00 0.00 56.30 56.93 3kc4 h ASN 37 Cb 0.65 -0.26 0.03 0.00 -1.12 0.00 0.00 38.32 37.62 3kc4 h ASN 37 CO 0.00 1.02 -1.19 -0.37 -1.29 0.00 0.00 177.43 175.60 3kc4 h VAL 38 N 0.89 1.28 -0.83 2.81 -1.51 -1.29 -2.12 116.25 115.48 3kc4 h VAL 38 Ca 0.17 -2.41 0.11 0.00 -1.23 0.00 0.00 66.70 63.34 3kc4 h VAL 38 Cb 0.50 2.63 -0.08 0.00 -2.13 0.00 0.00 31.29 32.21 3kc4 h VAL 38 CO 0.02 0.73 0.46 -0.07 -1.23 0.00 0.00 177.57 177.49 3kc4 h LEU 39 N 0.29 0.63 0.04 4.19 3.38 -1.66 -2.41 115.31 119.77 3kc4 h LEU 39 Ca -0.18 0.06 -0.25 0.00 0.09 0.00 0.00 57.88 57.61 3kc4 h LEU 39 Cb 1.86 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 42.58 3kc4 h LEU 39 CO 0.23 0.34 -1.00 0.07 0.09 0.00 0.00 178.44 178.16 3kc4 h LYS 40 N 0.74 0.61 0.10 1.13 2.10 -1.33 0.25 116.57 120.17 3kc4 h LYS 40 Ca 0.42 -0.71 0.02 0.00 -2.00 0.00 0.00 60.65 58.38 3kc4 h LYS 40 Cb 0.45 0.21 -0.05 0.00 -0.90 0.00 0.00 32.23 31.95 3kc4 h LYS 40 CO -0.28 1.30 -0.39 0.93 -2.00 0.00 0.00 179.45 179.01 3kc4 h GLU 41 N 0.23 -0.59 0.00 0.07 5.08 -1.54 -1.14 114.58 116.70 3kc4 h GLU 41 Ca -0.14 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kc4 h GLU 41 Cb 1.68 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.06 3kc4 h GLU 41 CO 0.20 -0.39 0.16 0.93 -1.00 0.00 0.00 179.01 178.90 3kc4 h GLU 42 N -0.61 0.00 -0.20 2.33 4.39 -1.18 -3.45 114.58 115.86 3kc4 h GLU 42 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kc4 h GLU 42 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3kc4 h GLU 42 CO -0.24 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.02 3kc4 n GLY 43 N -1.23 1.06 0.05 -3.84 0.00 -0.36 -4.94 105.19 95.93 3kc4 n GLY 43 Ca -0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 3kc4 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kc4 n PHE 44 N -2.16 0.00 -4.09 1.61 0.99 0.73 -4.65 117.46 109.89 3kc4 n PHE 44 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 3kc4 n PHE 44 Cb 0.27 -0.58 -0.11 0.00 -1.00 0.00 0.00 39.48 38.06 3kc4 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 3kc4 s ILE 45 N -2.53 0.62 0.03 4.37 -4.36 -1.18 -4.19 121.20 113.95 3kc4 s ILE 45 Ca -0.06 -1.25 -0.16 0.00 -0.26 0.00 0.00 60.65 58.91 3kc4 s ILE 45 Cb 0.06 -0.84 -0.09 0.00 1.25 0.00 0.00 42.46 42.83 3kc4 s ILE 45 CO 0.58 -0.46 1.24 -0.08 0.24 0.00 0.00 174.94 176.46 3kc4 h GLU 46 N 4.20 -0.57 0.00 0.37 4.57 -1.43 -3.38 114.58 118.35 3kc4 h GLU 46 Ca -0.36 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 3kc4 h GLU 46 Cb 1.19 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3kc4 h GLU 46 CO 0.45 -0.38 0.03 -0.40 -1.18 0.00 0.00 179.01 177.53 3kc4 n ASP 47 N -3.60 -0.44 -3.55 1.04 3.85 -0.90 -4.89 116.55 108.07 3kc4 n ASP 47 Ca -0.07 -1.38 -0.15 0.00 -0.71 0.00 0.00 54.79 52.48 3kc4 n ASP 47 Cb 0.23 0.75 -0.05 0.00 -1.35 0.00 0.00 41.12 40.70 3kc4 n ASP 47 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3kc4 s PHE 48 N -6.47 -0.50 -0.06 2.11 -0.71 -1.26 -2.72 117.98 108.37 3kc4 s PHE 48 Ca 0.05 0.68 -0.07 0.00 -1.04 0.00 0.00 56.93 56.54 3kc4 s PHE 48 Cb -0.01 0.37 0.02 0.00 -1.21 0.00 0.00 43.02 42.19 3kc4 s PHE 48 CO 0.03 -0.63 0.18 0.15 -1.34 0.00 0.00 175.22 173.61 3kc4 s LYS 49 N -2.05 0.28 -0.29 1.99 1.02 0.08 -4.94 119.74 115.83 3kc4 s LYS 49 Ca -0.07 0.13 -0.03 0.00 0.02 0.00 0.00 55.97 56.02 3kc4 s LYS 49 Cb -0.01 0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.47 3kc4 s LYS 49 CO 0.02 -0.05 -0.00 0.08 -0.92 0.00 0.00 175.35 174.48 3kc4 s VAL 50 N -0.21 3.10 -0.62 3.17 1.01 -1.25 0.52 120.40 126.11 3kc4 s VAL 50 Ca -0.03 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 3kc4 s VAL 50 Cb -0.03 -2.70 0.13 0.00 0.00 0.00 0.00 36.38 33.79 3kc4 s VAL 50 CO 0.01 -0.00 0.66 -1.61 0.00 0.00 0.00 175.10 174.15 3kc4 s GLU 51 N 1.31 3.13 -0.22 2.72 0.41 0.14 -4.74 118.70 121.46 3kc4 s GLU 51 Ca -0.03 -1.67 -0.03 0.00 -0.41 0.00 0.00 54.97 52.84 3kc4 s GLU 51 Cb -0.19 -4.34 0.01 0.00 -1.78 0.00 0.00 34.13 27.83 3kc4 s GLU 51 CO -0.02 -1.44 2.65 0.41 -0.49 0.00 0.00 175.26 176.38 3kc4 n GLY 52 N 5.09 3.60 0.15 -1.39 0.00 -1.25 -0.66 105.19 110.72 3kc4 n GLY 52 Ca -0.06 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 3kc4 n GLY 52 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3kc4 h ASP 53 N 2.22 0.39 0.00 1.61 2.03 -1.93 -3.37 116.42 117.38 3kc4 h ASP 53 Ca 0.24 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 3kc4 h ASP 53 Cb 1.03 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 3kc4 h ASP 53 CO 0.52 0.29 0.00 1.07 -1.03 0.00 0.00 179.24 180.09 3kc4 n THR 54 N -4.85 0.00 0.00 1.15 5.66 -1.26 -5.07 114.28 109.91 3kc4 n THR 54 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 3kc4 n THR 54 Cb 0.03 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 3kc4 n THR 54 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3kc4 n LYS 55 N 0.00 0.00 -2.30 1.09 2.85 -1.26 -5.15 118.16 113.39 3kc4 n LYS 55 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 3kc4 n LYS 55 Cb 0.48 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 3kc4 n LYS 55 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3kc4 s PRO 56 N -0.98 4.41 -0.05 -1.58 0.04 -1.25 -3.92 135.00 131.68 3kc4 s PRO 56 Ca 0.00 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 3kc4 s PRO 56 Cb 0.00 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.52 3kc4 s PRO 56 CO 0.00 -0.05 0.14 -1.21 0.04 0.00 0.00 177.00 175.92 3kc4 s GLU 57 N -1.76 0.21 -0.49 4.56 2.02 0.17 -0.71 118.70 122.71 3kc4 s GLU 57 Ca 0.49 0.11 -0.14 0.00 0.02 0.00 0.00 54.97 55.45 3kc4 s GLU 57 Cb -0.35 0.10 0.10 0.00 0.10 0.00 0.00 34.13 34.08 3kc4 s GLU 57 CO 0.45 -0.03 0.41 -1.17 0.02 0.00 0.00 175.26 174.94 3kc4 s LEU 58 N -0.14 5.76 -0.91 1.80 2.96 0.23 0.25 118.68 128.62 3kc4 s LEU 58 Ca -0.02 -1.54 -0.15 0.00 -0.22 0.00 0.00 54.13 52.20 3kc4 s LEU 58 Cb -0.02 -2.16 0.20 0.00 0.50 0.00 0.00 46.19 44.71 3kc4 s LEU 58 CO 0.00 -0.71 0.94 -0.70 -1.32 0.00 0.00 176.35 174.57 3kc4 s GLU 59 N 1.58 3.70 -0.15 1.98 -6.30 0.18 -1.94 118.70 117.76 3kc4 s GLU 59 Ca 0.04 -2.37 -0.06 0.00 -2.50 0.00 0.00 54.97 50.07 3kc4 s GLU 59 Cb -0.26 -4.61 -0.04 0.00 0.00 0.00 0.00 34.13 29.22 3kc4 s GLU 59 CO 0.04 -1.44 0.06 -0.48 0.02 0.00 0.00 175.26 173.46 3kc4 s LEU 60 N 0.75 3.86 -0.13 2.70 2.34 -0.21 -0.75 118.68 127.24 3kc4 s LEU 60 Ca 0.25 0.16 -0.22 0.00 0.06 0.00 0.00 54.13 54.38 3kc4 s LEU 60 Cb -0.08 -1.95 -0.03 0.00 -0.56 0.00 0.00 46.19 43.57 3kc4 s LEU 60 CO -0.09 0.26 0.65 -0.89 -1.06 0.00 0.00 176.35 175.23 3kc4 s THR 61 N -0.14 5.05 -0.13 5.48 2.01 -1.10 -1.22 115.64 125.57 3kc4 s THR 61 Ca 0.07 1.30 -0.27 0.00 0.31 0.00 0.00 61.69 63.10 3kc4 s THR 61 Cb -0.12 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 3kc4 s THR 61 CO 0.01 0.20 0.88 -0.76 -0.69 0.00 0.00 174.62 174.26 3kc4 s LEU 62 N 1.26 4.22 0.58 4.42 1.43 0.01 -1.29 118.68 129.31 3kc4 s LEU 62 Ca 0.33 1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 3kc4 s LEU 62 Cb -0.17 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 3kc4 s LEU 62 CO 0.14 -0.39 1.19 -0.75 0.23 0.00 0.00 176.35 176.77 3kc4 s LYS 63 N 1.95 3.10 0.25 1.70 2.20 -1.26 -4.54 119.74 123.14 3kc4 s LYS 63 Ca 0.42 1.78 0.03 0.00 -0.36 0.00 0.00 55.97 57.83 3kc4 s LYS 63 Cb -0.17 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.13 3kc4 s LYS 63 CO 0.15 -1.09 0.04 0.71 -0.36 0.00 0.00 175.35 174.80 3kc4 s TYR 64 N -1.63 1.60 0.00 4.03 2.02 -1.26 -0.93 117.35 121.18 3kc4 s TYR 64 Ca 0.76 -1.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 3kc4 s TYR 64 Cb -0.29 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 3kc4 s TYR 64 CO 0.32 -0.14 0.00 1.19 -1.57 0.00 0.00 175.55 175.35 3kc4 n PHE 65 N -0.47 0.00 -0.23 2.71 3.72 -0.19 -4.67 117.46 118.34 3kc4 n PHE 65 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3kc4 n PHE 65 Cb 0.65 0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 3kc4 n PHE 65 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kc4 n GLN 66 N 0.00 0.00 0.00 -1.08 0.00 -1.26 -4.90 117.38 110.14 3kc4 n GLN 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3kc4 n GLN 66 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.43 3kc4 n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kc4 n GLY 67 N 0.00 -0.01 3.36 2.61 0.00 -1.26 -5.11 105.19 104.77 3kc4 n GLY 67 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3kc4 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kc4 s LYS 68 N 0.00 0.85 0.99 1.61 2.20 -1.26 -4.85 119.74 119.28 3kc4 s LYS 68 Ca 0.00 -0.04 -0.12 0.00 -0.36 0.00 0.00 55.97 55.45 3kc4 s LYS 68 Cb 0.00 0.39 0.14 0.00 -1.51 0.00 0.00 37.83 36.85 3kc4 s LYS 68 CO 0.00 -0.26 0.84 0.00 -0.36 0.00 0.00 175.35 175.57 3kc4 n ALA 69 N 1.03 -1.94 -3.21 3.13 0.00 -0.10 -1.02 120.51 118.39 3kc4 n ALA 69 Ca -0.20 -0.75 -0.36 0.00 0.00 0.00 0.00 53.44 52.13 3kc4 n ALA 69 Cb 0.57 -2.00 -0.13 0.00 0.00 0.00 0.00 19.45 17.89 3kc4 n ALA 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kc4 s VAL 70 N -2.50 3.95 0.18 0.00 1.01 -1.26 -4.84 120.40 116.94 3kc4 s VAL 70 Ca 0.64 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 3kc4 s VAL 70 Cb -0.22 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.30 3kc4 s VAL 70 CO 0.62 0.27 0.54 0.68 0.00 0.00 0.00 175.10 177.22 3kc4 s VAL 71 N 1.54 0.02 0.00 2.92 -7.23 -1.26 -4.64 120.40 111.75 3kc4 s VAL 71 Ca 0.05 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 3kc4 s VAL 71 Cb -0.16 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.39 3kc4 s VAL 71 CO 0.01 -0.11 0.00 -0.62 -0.31 0.00 0.00 175.10 174.07 3kc4 n GLU 72 N -0.34 3.22 -3.57 4.82 1.02 -1.26 -5.05 120.64 119.48 3kc4 n GLU 72 Ca -0.12 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.93 3kc4 n GLU 72 Cb 0.63 -0.31 -0.02 0.00 -0.02 0.00 0.00 31.44 31.72 3kc4 n GLU 72 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kc4 s SER 73 N -0.14 -0.38 -0.30 1.62 1.04 -1.26 -4.45 113.70 109.83 3kc4 s SER 73 Ca 0.00 -0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.11 3kc4 s SER 73 Cb 0.00 0.51 0.18 0.00 0.10 0.00 0.00 66.02 66.81 3kc4 s SER 73 CO 0.00 -0.86 1.16 -0.51 0.98 0.00 0.00 173.24 174.00 3kc4 s ILE 74 N -3.43 -0.17 0.08 -1.02 2.07 -1.05 -3.88 121.20 113.80 3kc4 s ILE 74 Ca 0.06 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.03 3kc4 s ILE 74 Cb -0.02 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.66 3kc4 s ILE 74 CO -0.06 0.00 0.90 -1.58 -1.91 0.00 0.00 174.94 172.29 3kc4 s GLN 75 N 1.88 1.02 -0.31 3.50 2.00 -1.26 -4.97 119.66 121.51 3kc4 s GLN 75 Ca -0.03 -0.47 -0.11 0.00 -2.00 0.00 0.00 55.36 52.74 3kc4 s GLN 75 Cb -0.03 0.41 -0.03 0.00 0.80 0.00 0.00 33.01 34.16 3kc4 s GLN 75 CO -0.15 -0.46 0.20 0.50 -0.50 0.00 0.00 175.29 174.89 3kc4 s ARG 76 N -3.24 3.68 -0.04 1.67 6.06 -1.26 -3.92 118.95 121.91 3kc4 s ARG 76 Ca 0.08 -0.51 0.05 0.00 -2.50 0.00 0.00 55.73 52.86 3kc4 s ARG 76 Cb -0.01 -3.70 0.08 0.00 0.06 0.00 0.00 34.95 31.38 3kc4 s ARG 76 CO -0.04 -0.32 1.02 1.33 -2.50 0.00 0.00 175.30 174.79 3kc4 n VAL 77 N 5.07 0.55 -2.03 7.11 0.24 -0.71 -4.54 118.33 124.02 3kc4 n VAL 77 Ca -0.13 -0.66 -0.00 0.00 -2.04 0.00 0.00 64.34 61.50 3kc4 n VAL 77 Cb 0.51 0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 33.19 3kc4 n VAL 77 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3kc4 n SER 78 N -0.42 -0.02 -3.67 -1.34 7.64 -1.26 -4.62 113.62 109.93 3kc4 n SER 78 Ca 0.05 -1.50 -0.39 0.00 1.01 0.00 0.00 58.87 58.04 3kc4 n SER 78 Cb 0.66 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 3kc4 n SER 78 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3kc4 n ARG 79 N 0.03 0.00 -2.46 1.43 -4.01 -1.26 -4.31 116.66 106.08 3kc4 n ARG 79 Ca -0.02 0.00 -0.40 0.00 -1.04 0.00 0.00 57.85 56.39 3kc4 n ARG 79 Cb 0.63 -0.84 -0.04 0.00 -3.04 0.00 0.00 32.46 29.16 3kc4 n ARG 79 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 3kc4 s PRO 80 N -0.84 4.62 0.00 2.89 0.04 -1.26 -2.56 135.00 137.89 3kc4 s PRO 80 Ca 0.52 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.38 3kc4 s PRO 80 Cb -0.70 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 30.65 3kc4 s PRO 80 CO 0.49 0.17 0.00 0.41 0.04 0.00 0.00 177.00 178.11 3kc4 n GLY 81 N 1.32 1.16 0.00 0.56 0.00 -1.26 -5.06 105.19 101.91 3kc4 n GLY 81 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3kc4 n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kc4 n LEU 82 N -0.04 0.00 -3.80 0.99 7.94 -1.06 -5.16 117.00 115.88 3kc4 n LEU 82 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 3kc4 n LEU 82 Cb 0.24 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.08 3kc4 n LEU 82 CO 0.00 0.00 -0.12 -0.13 -1.11 0.00 0.00 177.39 176.03 3kc4 s ARG 83 N -0.46 0.26 0.58 1.96 0.52 -1.26 -4.08 118.95 116.46 3kc4 s ARG 83 Ca 0.00 0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.53 3kc4 s ARG 83 Cb 0.00 0.13 0.05 0.00 0.52 0.00 0.00 34.95 35.65 3kc4 s ARG 83 CO 0.00 -0.03 0.81 0.96 0.02 0.00 0.00 175.30 177.06 3kc4 s ILE 84 N 0.11 2.55 -0.48 1.52 -4.36 -1.26 -5.07 121.20 114.22 3kc4 s ILE 84 Ca -0.00 -0.69 0.04 0.00 -0.26 0.00 0.00 60.65 59.75 3kc4 s ILE 84 Cb -0.02 -2.87 0.21 0.00 1.25 0.00 0.00 42.46 41.04 3kc4 s ILE 84 CO 0.00 0.00 0.84 -1.22 0.24 0.00 0.00 174.94 174.80 3kc4 n TYR 85 N -2.41 -3.11 -1.45 1.37 0.53 -1.26 -4.64 117.16 106.19 3kc4 n TYR 85 Ca 0.10 -1.28 -0.29 0.00 -1.02 0.00 0.00 57.90 55.41 3kc4 n TYR 85 Cb 0.60 1.42 0.14 0.00 -1.03 0.00 0.00 39.34 40.47 3kc4 n TYR 85 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 3kc4 s LYS 86 N 0.82 1.00 0.77 -0.72 1.02 -1.24 -4.84 119.74 116.55 3kc4 s LYS 86 Ca 0.29 0.35 -0.08 0.00 0.02 0.00 0.00 55.97 56.55 3kc4 s LYS 86 Cb 0.07 -1.82 0.10 0.00 -0.52 0.00 0.00 37.83 35.66 3kc4 s LYS 86 CO -0.10 -2.31 1.09 1.03 -0.92 0.00 0.00 175.35 174.15 3kc4 s ARG 87 N -5.20 1.77 0.00 1.68 0.52 -1.26 -4.10 118.95 112.36 3kc4 s ARG 87 Ca 0.64 -0.37 0.21 0.00 -0.52 0.00 0.00 55.73 55.68 3kc4 s ARG 87 Cb -0.16 -2.10 0.90 0.00 0.52 0.00 0.00 34.95 34.12 3kc4 s ARG 87 CO 0.54 -1.55 1.66 1.17 0.02 0.00 0.00 175.30 177.15 3kc4 n LYS 88 N -3.13 0.03 -0.53 3.54 4.81 0.06 -4.12 118.16 118.83 3kc4 n LYS 88 Ca 0.10 0.14 0.07 0.00 -0.87 0.00 0.00 58.31 57.75 3kc4 n LYS 88 Cb 0.60 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 34.33 3kc4 n LYS 88 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3kc4 n ASP 89 N -1.48 1.78 0.00 3.14 8.00 -1.26 -4.02 116.55 122.72 3kc4 n ASP 89 Ca 0.06 -3.58 0.00 0.00 0.71 0.00 0.00 54.79 51.98 3kc4 n ASP 89 Cb 0.23 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3kc4 n ASP 89 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3kc4 n GLU 90 N -1.08 0.00 -1.22 -1.24 0.28 -1.26 -5.14 120.64 110.98 3kc4 n GLU 90 Ca 0.17 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.76 3kc4 n GLU 90 Cb 0.70 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.55 3kc4 n GLU 90 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3kc4 n LEU 91 N 0.00 -1.25 -4.61 -1.84 4.77 -1.26 -4.82 117.00 108.00 3kc4 n LEU 91 Ca 0.00 0.96 -0.38 0.00 -0.03 0.00 0.00 56.01 56.56 3kc4 n LEU 91 Cb 0.11 -0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 40.28 3kc4 n LEU 91 CO 0.00 -2.74 -0.08 -2.16 -1.33 0.00 0.00 177.39 171.08 3kc4 s PRO 92 N -0.88 4.00 -0.03 3.23 0.04 -1.26 -4.93 135.00 135.17 3kc4 s PRO 92 Ca 0.56 -0.17 -0.23 0.00 0.04 0.00 0.00 61.00 61.19 3kc4 s PRO 92 Cb -0.79 -3.64 -0.23 0.00 0.04 0.00 0.00 34.50 29.89 3kc4 s PRO 92 CO 0.50 -0.17 1.07 0.87 0.04 0.00 0.00 177.00 179.31 3kc4 h LYS 93 N 8.15 0.24 -0.07 4.56 1.79 -1.89 -3.35 116.57 126.00 3kc4 h LYS 93 Ca -0.34 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 57.88 3kc4 h LYS 93 Cb 1.18 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3kc4 h LYS 93 CO 0.60 0.94 -0.01 0.28 -1.08 0.00 0.00 179.45 180.18 3kc4 n VAL 94 N -4.45 -0.02 -2.98 0.50 0.31 -1.26 -3.77 118.33 106.65 3kc4 n VAL 94 Ca -0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 3kc4 n VAL 94 Cb 0.52 -0.56 0.06 0.00 -0.91 0.00 0.00 33.84 32.95 3kc4 n VAL 94 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3kc4 n MET 95 N -1.03 -4.45 0.00 5.55 2.81 -1.26 -4.29 117.12 114.45 3kc4 n MET 95 Ca -0.00 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 3kc4 n MET 95 Cb 0.50 -4.67 0.00 0.00 -0.71 0.00 0.00 33.22 28.34 3kc4 n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kc4 n ALA 96 N -3.25 0.00 1.27 3.04 0.00 -1.25 -4.95 120.51 115.38 3kc4 n ALA 96 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.42 3kc4 n ALA 96 Cb 0.59 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.37 3kc4 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc4 n GLY 97 N 0.00 0.37 0.18 0.00 0.00 -1.26 -2.95 105.19 101.53 3kc4 n GLY 97 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 3kc4 n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kc4 h LEU 98 N 3.23 0.69 0.00 0.99 3.38 -1.94 -3.45 115.31 118.22 3kc4 h LEU 98 Ca 0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3kc4 h LEU 98 Cb 0.71 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3kc4 h LEU 98 CO 0.00 1.29 0.00 0.61 0.09 0.00 0.00 178.44 180.43 3kc4 n GLY 99 N 0.83 1.72 3.78 0.83 0.00 -1.17 -5.12 105.19 106.05 3kc4 n GLY 99 Ca -0.07 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 3kc4 n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kc4 s ILE 100 N 2.42 0.00 -0.10 -0.61 -4.36 -1.12 -4.89 121.20 112.54 3kc4 s ILE 100 Ca 0.00 -1.07 -0.09 0.00 -0.26 0.00 0.00 60.65 59.23 3kc4 s ILE 100 Cb 0.00 -2.65 0.03 0.00 1.25 0.00 0.00 42.46 41.08 3kc4 s ILE 100 CO 0.00 0.00 0.26 0.00 0.24 0.00 0.00 174.94 175.44 3kc4 s ALA 101 N -2.77 -0.65 -0.14 2.27 0.00 -1.26 -3.63 121.76 115.59 3kc4 s ALA 101 Ca 0.16 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 52.68 3kc4 s ALA 101 Cb -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3kc4 s ALA 101 CO 0.11 -0.12 0.47 0.08 0.00 0.00 0.00 175.76 176.30 3kc4 s VAL 102 N 0.15 5.18 -0.07 0.00 1.01 -1.26 -0.39 120.40 125.03 3kc4 s VAL 102 Ca -0.00 0.92 0.03 0.00 0.00 0.00 0.00 61.98 62.93 3kc4 s VAL 102 Cb -0.02 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3kc4 s VAL 102 CO 0.00 0.29 -0.17 -0.69 0.00 0.00 0.00 175.10 174.53 3kc4 s VAL 103 N 0.86 1.51 0.03 2.92 1.01 -1.23 -4.31 120.40 121.19 3kc4 s VAL 103 Ca 0.25 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.57 3kc4 s VAL 103 Cb -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3kc4 s VAL 103 CO 0.10 0.44 -0.12 -0.55 0.00 0.00 0.00 175.10 174.96 3kc4 s SER 104 N 0.41 4.23 0.40 3.32 0.15 -1.15 -0.50 113.70 120.55 3kc4 s SER 104 Ca -0.13 -0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.26 3kc4 s SER 104 Cb -0.16 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.27 3kc4 s SER 104 CO 0.05 0.26 0.08 0.42 1.20 0.00 0.00 173.24 175.25 3kc4 s THR 105 N -0.98 0.95 -0.14 6.45 -4.23 0.07 -1.70 115.64 116.06 3kc4 s THR 105 Ca 0.16 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 3kc4 s THR 105 Cb -0.11 -2.50 -0.17 0.00 1.34 0.00 0.00 72.50 71.06 3kc4 s THR 105 CO 0.07 0.00 3.36 -1.20 -0.54 0.00 0.00 174.62 176.31 3kc4 n SER 106 N -1.08 5.63 0.04 3.99 7.64 -1.26 -3.76 113.62 124.82 3kc4 n SER 106 Ca -0.07 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.10 3kc4 n SER 106 Cb 0.66 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 3kc4 n SER 106 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kc4 n LYS 107 N 1.99 0.00 -1.91 1.43 4.76 -1.26 -4.99 118.16 118.18 3kc4 n LYS 107 Ca 0.45 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 3kc4 n LYS 107 Cb 0.80 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.99 3kc4 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kc4 n GLY 108 N 0.42 4.11 3.74 0.72 0.00 -1.25 -5.11 105.19 107.83 3kc4 n GLY 108 Ca 0.00 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 3kc4 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kc4 s VAL 109 N -1.83 5.19 0.00 1.61 1.01 -1.26 -0.75 120.40 124.37 3kc4 s VAL 109 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3kc4 s VAL 109 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3kc4 s VAL 109 CO 0.00 0.38 0.00 0.23 0.00 0.00 0.00 175.10 175.71 3kc4 n MET 110 N 3.38 1.48 -3.75 2.72 2.00 0.35 -4.93 117.12 118.36 3kc4 n MET 110 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.51 3kc4 n MET 110 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.68 3kc4 n MET 110 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 3kc4 s THR 111 N 2.51 0.08 0.19 2.03 -1.32 -1.00 -3.47 115.64 114.65 3kc4 s THR 111 Ca 0.00 -0.87 -0.06 0.00 -1.21 0.00 0.00 61.69 59.55 3kc4 s THR 111 Cb 0.00 -1.36 0.31 0.00 -1.51 0.00 0.00 72.50 69.94 3kc4 s THR 111 CO 0.00 -0.37 1.08 -0.90 -2.21 0.00 0.00 174.62 172.22 3kc4 n ASP 112 N -0.20 -0.26 0.19 8.08 5.75 0.48 0.70 116.55 131.29 3kc4 n ASP 112 Ca -0.14 1.19 -0.08 0.00 -0.01 0.00 0.00 54.79 55.75 3kc4 n ASP 112 Cb 0.63 -0.35 -0.04 0.00 -1.03 0.00 0.00 41.12 40.33 3kc4 n ASP 112 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3kc4 h ARG 113 N 0.00 -0.50 0.12 0.11 3.08 -1.90 -2.35 114.38 112.94 3kc4 h ARG 113 Ca 0.32 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3kc4 h ARG 113 Cb 0.50 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3kc4 h ARG 113 CO -0.71 -0.33 -0.24 0.00 -1.07 0.00 0.00 179.97 177.62 3kc4 h ALA 114 N -1.57 -0.82 -1.05 0.04 0.00 -1.59 -2.82 119.26 111.45 3kc4 h ALA 114 Ca -0.05 -0.06 0.43 0.00 0.00 0.00 0.00 54.91 55.22 3kc4 h ALA 114 Cb 0.39 0.59 -0.17 0.00 0.00 0.00 0.00 17.79 18.60 3kc4 h ALA 114 CO 0.09 -0.86 0.59 0.00 0.00 0.00 0.00 179.25 179.07 3kc4 n ALA 115 N -2.61 1.08 -1.00 0.00 0.00 0.22 -1.23 120.51 116.97 3kc4 n ALA 115 Ca -0.04 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.38 3kc4 n ALA 115 Cb 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3kc4 n ALA 115 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kc4 n ARG 116 N -5.15 0.00 0.00 0.00 0.63 -0.88 -3.19 116.66 108.06 3kc4 n ARG 116 Ca 0.38 0.04 0.06 0.00 -0.92 0.00 0.00 57.85 57.41 3kc4 n ARG 116 Cb 1.32 -0.83 0.29 0.00 0.45 0.00 0.00 32.46 33.69 3kc4 n ARG 116 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kc4 n GLN 117 N -0.37 0.11 0.00 -0.14 0.00 -1.16 -3.77 117.38 112.05 3kc4 n GLN 117 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 57.00 57.22 3kc4 n GLN 117 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 3kc4 n GLN 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kc4 n ALA 118 N -1.36 1.85 -0.84 2.61 0.00 -0.36 -4.86 120.51 117.54 3kc4 n ALA 118 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3kc4 n ALA 118 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3kc4 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc4 n GLY 119 N 0.15 0.86 3.33 0.00 0.00 -1.25 -4.88 105.19 103.39 3kc4 n GLY 119 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3kc4 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kc4 s LEU 120 N 0.00 0.38 -0.30 0.99 2.01 -1.26 -5.02 118.68 115.48 3kc4 s LEU 120 Ca 0.00 0.51 -0.13 0.00 0.01 0.00 0.00 54.13 54.52 3kc4 s LEU 120 Cb 0.00 1.58 0.18 0.00 0.01 0.00 0.00 46.19 47.96 3kc4 s LEU 120 CO 0.00 -0.36 1.02 -0.83 1.01 0.00 0.00 176.35 177.19 3kc4 s GLY 121 N -0.69 -0.30 0.00 -3.19 0.00 -1.26 -4.61 107.32 97.26 3kc4 s GLY 121 Ca -0.08 2.85 0.00 0.00 0.00 0.00 0.00 44.72 47.49 3kc4 s GLY 121 CO 0.04 3.60 0.00 0.61 0.00 0.00 0.00 173.10 177.35 3kc4 n GLY 122 N 5.27 1.38 3.96 0.20 0.00 -0.69 -0.76 105.19 114.56 3kc4 n GLY 122 Ca -0.07 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 3kc4 n GLY 122 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kc4 s GLU 123 N 4.33 2.20 0.42 1.61 -1.05 -1.22 -3.69 118.70 121.30 3kc4 s GLU 123 Ca 0.00 -0.69 0.08 0.00 -0.15 0.00 0.00 54.97 54.21 3kc4 s GLU 123 Cb 0.00 -2.34 -0.02 0.00 -0.44 0.00 0.00 34.13 31.33 3kc4 s GLU 123 CO 0.00 -1.07 0.38 0.96 0.95 0.00 0.00 175.26 176.47 3kc4 s ILE 124 N -3.02 2.65 0.00 1.83 -4.36 -1.26 -2.95 121.20 114.09 3kc4 s ILE 124 Ca 0.61 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.65 3kc4 s ILE 124 Cb -0.09 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.62 3kc4 s ILE 124 CO 0.42 0.00 0.00 -0.38 0.24 0.00 0.00 174.94 175.22 3kc4 n ILE 125 N -1.55 0.00 -3.94 8.37 2.08 -1.26 -4.71 119.36 118.36 3kc4 n ILE 125 Ca 0.03 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.34 3kc4 n ILE 125 Cb 0.62 0.02 0.02 0.00 -0.75 0.00 0.00 39.64 39.55 3kc4 n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kc4 s TYR 127 N -2.14 -0.55 0.47 0.00 -0.85 -1.26 -4.10 117.35 108.92 3kc4 s TYR 127 Ca 0.25 0.97 0.04 0.00 -0.52 0.00 0.00 57.07 57.81 3kc4 s TYR 127 Cb -0.02 0.42 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 3kc4 s TYR 127 CO 0.03 -0.49 0.11 0.08 -1.52 0.00 0.00 175.55 173.76 3kc4 s VAL 128 N -1.07 1.66 -2.00 -3.49 1.01 -1.24 -2.52 120.40 112.75 3kc4 s VAL 128 Ca -0.07 -1.85 0.14 0.00 0.00 0.00 0.00 61.98 60.20 3kc4 s VAL 128 Cb -0.00 -2.51 0.38 0.00 0.00 0.00 0.00 36.38 34.25 3kc4 s VAL 128 CO 0.06 0.00 1.23 0.00 0.00 0.00 0.00 175.10 176.39