#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj1 n PRO 44 N 0.00 0.66 -3.70 1.61 -0.02 -1.26 -5.02 135.00 127.27 2kj1 n PRO 44 Ca 0.00 0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.60 2kj1 n PRO 44 Cb 0.00 -1.69 -0.09 0.00 -0.02 0.00 0.00 33.50 31.69 2kj1 n PRO 44 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2kj1 s ASN 45 N -1.04 -0.53 0.61 2.55 3.84 -1.26 -5.00 114.94 114.11 2kj1 s ASN 45 Ca 0.66 0.99 0.18 0.00 0.21 0.00 0.00 52.86 54.90 2kj1 s ASN 45 Cb -0.51 0.97 0.60 0.00 -0.55 0.00 0.00 41.25 41.76 2kj1 s ASN 45 CO 0.56 -0.18 1.17 2.29 -2.79 0.00 0.00 177.10 178.15 2kj1 n LYS 46 N 3.11 0.02 0.26 0.43 2.85 -1.26 0.20 118.16 123.77 2kj1 n LYS 46 Ca -0.15 0.97 0.15 0.00 -1.05 0.00 0.00 58.31 58.23 2kj1 n LYS 46 Cb 0.57 -2.48 0.59 0.00 -0.65 0.00 0.00 35.03 33.05 2kj1 n LYS 46 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2kj1 h GLU 47 N 0.00 0.00 0.04 -1.58 4.57 -1.99 -2.77 114.58 112.85 2kj1 h GLU 47 Ca 0.33 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.34 2kj1 h GLU 47 Cb 2.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 31.15 2kj1 h GLU 47 CO -0.00 0.06 -0.85 1.15 -1.18 0.00 0.00 179.01 178.19 2kj1 h THR 48 N 0.00 1.28 -0.70 0.32 2.02 0.20 -2.59 112.91 113.44 2kj1 h THR 48 Ca -0.00 -2.32 0.04 0.00 0.77 0.00 0.00 66.41 64.89 2kj1 h THR 48 Cb 0.61 2.82 -0.04 0.00 -1.74 0.00 0.00 68.15 69.80 2kj1 h THR 48 CO 0.01 0.55 0.46 0.16 0.37 0.00 0.00 175.52 177.06 2kj1 h ILE 49 N -0.76 1.10 -0.31 3.11 -0.00 -1.61 -2.03 117.51 117.00 2kj1 h ILE 49 Ca -0.21 -0.29 -0.13 0.00 -0.00 0.00 0.00 64.86 64.24 2kj1 h ILE 49 Cb 1.35 0.19 -0.00 0.00 -0.00 0.00 0.00 36.82 38.36 2kj1 h ILE 49 CO -0.04 0.15 -0.31 -1.13 -0.00 0.00 0.00 178.15 176.82 2kj1 h ASN 50 N 0.83 0.81 -0.58 2.16 -1.24 -1.60 -1.97 115.58 113.99 2kj1 h ASN 50 Ca 0.28 -0.47 0.06 0.00 0.71 0.00 0.00 56.30 56.88 2kj1 h ASN 50 Cb 0.08 -0.23 -0.05 0.00 0.73 0.00 0.00 38.32 38.84 2kj1 h ASN 50 CO -0.08 1.11 0.28 -0.09 -1.29 0.00 0.00 177.43 177.37 2kj1 h ARG 51 N 0.51 0.51 -0.39 6.67 2.43 -0.95 0.66 114.38 123.83 2kj1 h ARG 51 Ca 0.05 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 2kj1 h ARG 51 Cb 0.89 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2kj1 h ARG 51 CO 0.08 0.34 -0.30 1.05 -1.51 0.00 0.00 179.97 179.62 2kj1 h GLU 52 N 0.53 0.84 0.00 0.20 4.11 -1.46 -2.56 114.58 116.25 2kj1 h GLU 52 Ca 0.26 -0.39 -0.03 0.00 0.07 0.00 0.00 59.36 59.28 2kj1 h GLU 52 Cb 0.21 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kj1 h GLU 52 CO -0.20 1.03 -0.12 0.28 0.07 0.00 0.00 179.01 180.07 2kj1 h VAL 53 N 0.71 0.28 0.49 -1.06 2.07 -0.51 -2.44 116.25 115.79 2kj1 h VAL 53 Ca 0.08 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 2kj1 h VAL 53 Cb 0.86 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2kj1 h VAL 53 CO 0.08 0.12 -0.24 -1.28 0.02 0.00 0.00 177.57 176.27 2kj1 h SER 54 N 0.00 -0.56 -0.68 0.57 0.87 0.70 -2.84 113.55 111.61 2kj1 h SER 54 Ca -0.00 0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.68 2kj1 h SER 54 Cb 0.73 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 2kj1 h SER 54 CO 0.02 -0.15 0.45 0.40 -0.53 0.00 0.00 176.83 177.02 2kj1 h ILE 55 N -1.16 0.90 -0.28 2.23 2.04 -1.55 -1.72 117.51 117.98 2kj1 h ILE 55 Ca -0.07 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.67 2kj1 h ILE 55 Cb 0.51 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 2kj1 h ILE 55 CO 0.11 0.09 -0.42 0.25 0.00 0.00 0.00 178.15 178.19 2kj1 h LEU 56 N 0.52 -1.36 -0.13 1.44 7.12 -1.35 0.56 115.31 122.11 2kj1 h LEU 56 Ca 0.32 0.20 0.03 0.00 0.13 0.00 0.00 57.88 58.55 2kj1 h LEU 56 Cb 0.55 0.58 -0.03 0.00 -0.53 0.00 0.00 40.66 41.23 2kj1 h LEU 56 CO -0.10 -0.39 -0.04 -0.09 -0.13 0.00 0.00 178.44 177.69 2kj1 h ARG 57 N -0.40 -0.02 -0.19 1.25 9.65 -1.08 -2.39 114.38 121.22 2kj1 h ARG 57 Ca 0.11 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 2kj1 h ARG 57 Cb 0.60 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 2kj1 h ARG 57 CO -0.49 -0.01 -0.09 1.25 2.80 0.00 0.00 179.97 183.43 2kj1 h HIS 58 N -0.02 -0.20 -0.77 2.20 2.76 -1.01 -1.60 115.15 116.51 2kj1 h HIS 58 Ca 0.06 0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.43 2kj1 h HIS 58 Cb 0.11 0.12 -0.14 0.00 1.55 0.00 0.00 27.41 29.05 2kj1 h HIS 58 CO -0.17 -0.14 -0.03 1.03 -1.30 0.00 0.00 177.93 177.32 2kj1 h SER 59 N -0.06 -0.42 -0.09 3.26 0.87 0.52 0.11 113.55 117.74 2kj1 h SER 59 Ca 0.10 0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.91 2kj1 h SER 59 Cb 0.21 0.37 -0.06 0.00 -0.44 0.00 0.00 62.40 62.49 2kj1 h SER 59 CO -0.23 -0.20 -0.31 0.22 -0.53 0.00 0.00 176.83 175.78 2kj1 h TYR 60 N 0.08 -0.85 -0.27 2.24 3.20 -0.81 -1.50 116.97 119.05 2kj1 h TYR 60 Ca 0.41 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.35 2kj1 h TYR 60 Cb 0.72 0.39 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 2kj1 h TYR 60 CO -0.46 -0.39 -0.30 0.37 -1.64 0.00 0.00 178.16 175.74 2kj1 h GLN 61 N -0.41 -0.17 -0.83 1.82 4.15 -0.53 0.10 115.11 119.24 2kj1 h GLN 61 Ca 0.09 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.72 2kj1 h GLN 61 Cb 0.54 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 28.12 2kj1 h GLN 61 CO -0.32 -0.11 0.00 -0.22 -1.93 0.00 0.00 178.83 176.24 2kj1 h LYS 62 N -0.18 0.08 0.05 1.69 1.63 -1.07 0.75 116.57 119.53 2kj1 h LYS 62 Ca 0.05 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2kj1 h LYS 62 Cb 0.30 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2kj1 h LYS 62 CO -0.35 0.05 -0.14 0.93 -3.45 0.00 0.00 179.45 176.49 2kj1 h GLU 63 N 0.08 -0.21 -0.43 1.90 4.39 0.22 0.18 114.58 120.72 2kj1 h GLU 63 Ca 0.47 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.27 2kj1 h GLU 63 Cb 0.86 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.47 2kj1 h GLU 63 CO -0.75 -0.14 -0.17 0.97 -1.16 0.00 0.00 179.01 177.76 2kj1 h ILE 64 N -0.21 0.45 0.00 3.13 6.09 -0.59 1.38 117.51 127.76 2kj1 h ILE 64 Ca -0.01 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 2kj1 h ILE 64 Cb 0.21 0.45 0.00 0.00 0.47 0.00 0.00 36.82 37.95 2kj1 h ILE 64 CO -0.06 0.00 0.09 1.67 -3.07 0.00 0.00 178.15 176.78 2kj1 n GLN 65 N -5.37 0.02 -0.06 2.19 7.27 0.19 -1.14 117.38 120.49 2kj1 n GLN 65 Ca 0.03 0.45 -0.22 0.00 0.07 0.00 0.00 57.00 57.33 2kj1 n GLN 65 Cb 0.28 -1.67 -0.13 0.00 2.41 0.00 0.00 30.24 31.13 2kj1 n GLN 65 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kj1 n ALA 66 N -1.47 0.86 -0.14 1.69 0.00 0.47 -2.82 120.51 119.10 2kj1 n ALA 66 Ca -0.00 -0.57 0.18 0.00 0.00 0.00 0.00 53.44 53.05 2kj1 n ALA 66 Cb 0.10 -0.58 0.56 0.00 0.00 0.00 0.00 19.45 19.53 2kj1 n ALA 66 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kj1 h LYS 67 N -0.49 0.28 0.01 0.00 3.64 -0.27 0.11 116.57 119.86 2kj1 h LYS 67 Ca -0.40 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2kj1 h LYS 67 Cb 1.67 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2kj1 h LYS 67 CO -0.08 0.19 -0.01 1.05 -2.27 0.00 0.00 179.45 178.33 2kj1 h GLU 68 N 0.29 -0.02 -0.74 1.90 -0.00 -1.63 -2.55 114.58 111.83 2kj1 h GLU 68 Ca 0.36 0.00 0.20 0.00 -0.00 0.00 0.00 59.36 59.92 2kj1 h GLU 68 Cb 0.99 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.71 2kj1 h GLU 68 CO -0.09 0.60 0.52 1.15 -0.00 0.00 0.00 179.01 181.19 2kj1 h THR 69 N -0.98 0.68 0.38 -1.06 2.02 -1.27 -1.09 112.91 111.59 2kj1 h THR 69 Ca -0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2kj1 h THR 69 Cb 0.63 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2kj1 h THR 69 CO 0.00 0.02 -0.18 -0.03 0.37 0.00 0.00 175.52 175.70 2kj1 h MET 70 N 0.13 -0.49 -1.28 6.66 4.05 -0.83 -2.56 114.93 120.61 2kj1 h MET 70 Ca 0.36 0.03 0.37 0.00 -0.28 0.00 0.00 59.70 60.19 2kj1 h MET 70 Cb 1.24 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 32.10 2kj1 h MET 70 CO -0.05 -0.18 0.98 0.87 0.23 0.00 0.00 176.91 178.76 2kj1 h LYS 71 N -0.85 0.00 0.13 0.39 1.79 -0.77 0.44 116.57 117.70 2kj1 h LYS 71 Ca -0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2kj1 h LYS 71 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2kj1 h LYS 71 CO 0.09 0.00 -0.06 1.49 -1.08 0.00 0.00 179.45 179.88 2kj1 h GLU 72 N 0.00 -0.17 -0.96 3.15 4.22 -1.06 -2.04 114.58 117.73 2kj1 h GLU 72 Ca 0.61 0.01 0.27 0.00 0.08 0.00 0.00 59.36 60.33 2kj1 h GLU 72 Cb 2.56 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 31.70 2kj1 h GLU 72 CO -0.01 0.25 0.46 0.28 -2.18 0.00 0.00 179.01 177.81 2kj1 h VAL 73 N -0.64 0.36 -0.03 0.32 2.07 0.16 0.14 116.25 118.63 2kj1 h VAL 73 Ca -0.02 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2kj1 h VAL 73 Cb 0.49 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2kj1 h VAL 73 CO 0.03 0.06 -0.02 -0.07 0.02 0.00 0.00 177.57 177.60 2kj1 h LEU 74 N 0.34 0.07 -0.82 2.57 3.38 -1.36 -1.84 115.31 117.65 2kj1 h LEU 74 Ca 0.65 -0.42 0.20 0.00 0.09 0.00 0.00 57.88 58.40 2kj1 h LEU 74 Cb 1.37 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.97 2kj1 h LEU 74 CO -0.59 0.47 0.09 0.28 0.09 0.00 0.00 178.44 178.78 2kj1 h SER 75 N -0.33 -0.23 0.51 -0.43 0.02 0.00 0.85 113.55 113.94 2kj1 h SER 75 Ca 0.01 0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 2kj1 h SER 75 Cb 0.44 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 2kj1 h SER 75 CO 0.00 -0.18 -0.59 0.44 -1.14 0.00 0.00 176.83 175.36 2kj1 h ASP 76 N 0.14 0.09 0.62 3.07 3.32 -1.28 -2.45 116.42 119.93 2kj1 h ASP 76 Ca 0.48 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.44 2kj1 h ASP 76 Cb 0.90 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.43 2kj1 h ASP 76 CO -0.68 0.66 -0.30 -1.13 -1.72 0.00 0.00 179.24 176.07 2kj1 h ASN 77 N 0.06 -0.70 -0.52 6.45 -0.73 0.14 -2.82 115.58 117.46 2kj1 h ASN 77 Ca -0.01 0.02 0.10 0.00 1.87 0.00 0.00 56.30 58.29 2kj1 h ASN 77 Cb 1.06 0.18 -0.09 0.00 0.27 0.00 0.00 38.32 39.74 2kj1 h ASN 77 CO 0.08 -0.32 -0.05 0.24 -0.37 0.00 0.00 177.43 177.01 2kj1 h MET 78 N -1.20 0.06 -0.46 6.67 2.86 -0.48 -1.53 114.93 120.87 2kj1 h MET 78 Ca -0.09 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.63 2kj1 h MET 78 Cb 0.64 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.19 2kj1 h MET 78 CO 0.14 0.04 -0.37 0.93 1.06 0.00 0.00 176.91 178.71 2kj1 h GLU 79 N 0.07 -0.25 -0.72 1.72 3.07 -1.46 0.74 114.58 117.75 2kj1 h GLU 79 Ca 0.26 0.02 0.13 0.00 -0.50 0.00 0.00 59.36 59.27 2kj1 h GLU 79 Cb 0.40 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 2kj1 h GLU 79 CO -0.48 -0.17 0.48 0.28 -1.40 0.00 0.00 179.01 177.73 2kj1 h VAL 80 N -0.26 0.83 0.13 3.13 2.07 -1.03 -1.78 116.25 119.34 2kj1 h VAL 80 Ca 0.17 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2kj1 h VAL 80 Cb 0.56 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2kj1 h VAL 80 CO -0.59 0.08 -0.06 0.25 0.02 0.00 0.00 177.57 177.27 2kj1 h LEU 81 N 0.44 -0.14 -1.02 2.57 5.85 0.53 -2.83 115.31 120.71 2kj1 h LEU 81 Ca 0.35 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kj1 h LEU 81 Cb 0.74 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2kj1 h LEU 81 CO -0.11 0.44 0.68 0.28 -0.34 0.00 0.00 178.44 179.40 2kj1 h SER 82 N -0.85 0.00 0.00 1.25 0.02 0.95 0.16 113.55 115.08 2kj1 h SER 82 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2kj1 h SER 82 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2kj1 h SER 82 CO 0.03 0.00 -0.00 0.44 -1.14 0.00 0.00 176.83 176.16 2kj1 h ASP 83 N 0.00 0.00 0.00 3.07 3.32 -1.11 -3.26 116.42 118.44 2kj1 h ASP 83 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2kj1 h ASP 83 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2kj1 h ASP 83 CO -0.00 0.26 0.00 1.41 -1.72 0.00 0.00 179.24 179.19 2kj1 n HIS 84 N -3.45 0.00 -0.90 4.55 8.25 -0.17 -4.82 115.22 118.67 2kj1 n HIS 84 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2kj1 n HIS 84 Cb 0.00 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.18 2kj1 n HIS 84 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2kj1 n ILE 85 N -0.45 0.00 -1.66 1.59 3.06 0.39 -4.56 119.36 117.75 2kj1 n ILE 85 Ca 0.00 -0.18 -0.45 0.00 -2.50 0.00 0.00 62.75 59.62 2kj1 n ILE 85 Cb 0.01 -0.20 -0.03 0.00 0.54 0.00 0.00 39.64 39.96 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.55 -2.50 0.00 0.00 176.55 174.60 2kj1 n VAL 86 N -3.55 1.01 -3.83 9.51 3.14 -1.26 -4.39 118.33 118.95 2kj1 n VAL 86 Ca -0.01 -0.25 -0.12 0.00 -2.96 0.00 0.00 64.34 61.00 2kj1 n VAL 86 Cb 0.67 -1.39 -0.11 0.00 -1.06 0.00 0.00 33.84 31.96 2kj1 n VAL 86 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2kj1 s ILE 87 N -0.15 0.04 0.06 1.55 1.01 -0.41 -4.81 121.20 118.50 2kj1 s ILE 87 Ca 0.68 -0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.69 2kj1 s ILE 87 Cb -0.67 -0.36 -0.10 0.00 0.01 0.00 0.00 42.46 41.34 2kj1 s ILE 87 CO 0.51 -0.18 1.93 1.21 0.00 0.00 0.00 174.94 178.40 2kj1 n GLU 88 N 2.21 2.81 0.00 2.79 2.13 -1.26 0.25 120.64 129.57 2kj1 n GLU 88 Ca -0.18 1.03 0.00 0.00 0.66 0.00 0.00 57.16 58.67 2kj1 n GLU 88 Cb 0.57 -2.96 0.00 0.00 0.27 0.00 0.00 31.44 29.32 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kj1 n GLY 89 N 4.44 2.80 2.82 8.31 0.00 -1.26 -4.70 105.19 117.60 2kj1 n GLY 89 Ca 0.20 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 2kj1 n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kj1 n LEU 90 N 0.00 4.27 -4.58 0.99 -0.00 0.56 -5.00 117.00 113.24 2kj1 n LEU 90 Ca 0.00 -5.63 -0.42 0.00 -0.00 0.00 0.00 56.01 49.96 2kj1 n LEU 90 Cb 0.00 -0.55 -0.02 0.00 -0.00 0.00 0.00 43.42 42.84 2kj1 n LEU 90 CO 0.00 2.30 1.24 -0.55 -0.00 0.00 0.00 177.39 180.38 2kj1 s SER 91 N -3.26 6.19 0.43 1.96 0.15 0.70 -1.29 113.70 118.59 2kj1 s SER 91 Ca 0.47 0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.79 2kj1 s SER 91 Cb 0.26 -2.54 1.33 0.00 -1.71 0.00 0.00 66.02 63.35 2kj1 s SER 91 CO -0.11 -1.63 1.69 0.00 1.20 0.00 0.00 173.24 174.38 2kj1 h ALA 92 N 10.90 2.62 -0.66 5.45 0.00 -1.80 -0.98 119.26 134.79 2kj1 h ALA 92 Ca -0.27 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kj1 h ALA 92 Cb 1.09 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kj1 h ALA 92 CO 1.16 -1.15 0.00 0.39 0.00 0.00 0.00 179.25 179.65 2kj1 n GLU 93 N -4.61 0.00 -0.36 0.00 -0.58 -1.26 -0.54 120.64 113.29 2kj1 n GLU 93 Ca 0.32 0.49 -0.01 0.00 -0.42 0.00 0.00 57.16 57.54 2kj1 n GLU 93 Cb 1.24 -1.39 0.04 0.00 -0.57 0.00 0.00 31.44 30.76 2kj1 n GLU 93 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2kj1 n GLU 94 N -1.84 -0.22 0.13 3.49 2.13 -0.43 -0.74 120.64 123.16 2kj1 n GLU 94 Ca 0.00 1.45 -0.12 0.00 0.66 0.00 0.00 57.16 59.14 2kj1 n GLU 94 Cb 0.00 -2.15 -0.07 0.00 0.27 0.00 0.00 31.44 29.49 2kj1 n GLU 94 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2kj1 h ILE 95 N 0.00 0.00 -0.59 6.31 1.08 -1.22 -2.25 117.51 120.84 2kj1 h ILE 95 Ca 0.33 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.89 2kj1 h ILE 95 Cb 0.56 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.21 2kj1 h ILE 95 CO -0.93 0.00 -0.21 -0.38 -0.69 0.00 0.00 178.15 175.93 2kj1 n ILE 96 N -4.64 -0.30 0.24 -0.67 2.08 0.30 0.12 119.36 116.50 2kj1 n ILE 96 Ca -0.07 1.38 -0.16 0.00 0.56 0.00 0.00 62.75 64.46 2kj1 n ILE 96 Cb 0.31 -1.84 -0.08 0.00 -0.75 0.00 0.00 39.64 37.28 2kj1 n ILE 96 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2kj1 h LYS 97 N 0.00 -0.55 -0.59 0.38 3.64 -1.12 0.07 116.57 118.41 2kj1 h LYS 97 Ca 0.22 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.75 2kj1 h LYS 97 Cb 0.37 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 32.20 2kj1 h LYS 97 CO -0.59 -0.37 -0.28 0.52 -2.27 0.00 0.00 179.45 176.46 2kj1 h MET 98 N -0.57 -0.12 0.00 1.90 2.86 0.15 1.65 114.93 120.81 2kj1 h MET 98 Ca -0.05 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2kj1 h MET 98 Cb 0.44 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2kj1 h MET 98 CO 0.08 -0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.39 2kj1 n GLY 99 N -1.44 -0.93 0.18 8.32 0.00 0.10 -2.30 105.19 109.12 2kj1 n GLY 99 Ca 0.05 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 2kj1 n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kj1 h GLU 100 N 0.00 0.63 -0.45 1.61 4.81 0.45 -0.01 114.58 121.61 2kj1 h GLU 100 Ca 0.00 -0.63 -0.01 0.00 -0.13 0.00 0.00 59.36 58.58 2kj1 h GLU 100 Cb 0.19 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2kj1 h GLU 100 CO 0.00 1.24 0.22 1.15 -0.73 0.00 0.00 179.01 180.89 2kj1 h THR 101 N 0.26 1.18 0.00 0.32 2.02 -1.07 -3.36 112.91 112.26 2kj1 h THR 101 Ca -0.10 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2kj1 h THR 101 Cb 1.51 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2kj1 h THR 101 CO 0.17 0.19 0.00 0.52 0.37 0.00 0.00 175.52 176.77 2kj1 n VAL 102 N -4.66 0.00 0.00 3.16 0.31 -1.22 -5.17 118.33 110.76 2kj1 n VAL 102 Ca 0.01 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2kj1 n VAL 102 Cb 0.11 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 2kj1 n VAL 102 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40