#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj1 s PRO 44 N 0.00 0.57 0.06 1.61 0.04 -1.26 -5.07 135.00 130.95 2kj1 s PRO 44 Ca 0.00 0.52 -0.28 0.00 0.04 0.00 0.00 61.00 61.29 2kj1 s PRO 44 Cb 0.00 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 32.88 2kj1 s PRO 44 CO 0.00 -2.64 1.16 0.54 0.04 0.00 0.00 177.00 176.10 2kj1 s ASN 45 N -3.51 -0.08 0.54 6.66 2.20 -1.26 -4.98 114.94 114.51 2kj1 s ASN 45 Ca 0.65 -0.28 0.23 0.00 -0.94 0.00 0.00 52.86 52.52 2kj1 s ASN 45 Cb -0.18 0.30 0.79 0.00 -2.00 0.00 0.00 41.25 40.15 2kj1 s ASN 45 CO 0.57 -0.56 1.15 2.29 -2.94 0.00 0.00 177.10 177.61 2kj1 n LYS 46 N -0.55 0.01 0.18 3.55 2.85 -1.26 0.17 118.16 123.12 2kj1 n LYS 46 Ca -0.06 0.91 0.06 0.00 -1.05 0.00 0.00 58.31 58.17 2kj1 n LYS 46 Cb 0.61 -2.27 0.28 0.00 -0.65 0.00 0.00 35.03 33.00 2kj1 n LYS 46 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2kj1 h GLU 47 N 0.00 0.00 -0.03 -1.58 5.08 -1.99 -2.74 114.58 113.32 2kj1 h GLU 47 Ca 0.43 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.72 2kj1 h GLU 47 Cb 2.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.85 2kj1 h GLU 47 CO -0.00 0.38 -0.24 1.15 -1.00 0.00 0.00 179.01 179.29 2kj1 h THR 48 N 0.00 1.49 -0.06 1.13 2.02 0.14 -1.54 112.91 116.09 2kj1 h THR 48 Ca -0.00 -1.78 -0.07 0.00 0.77 0.00 0.00 66.41 65.32 2kj1 h THR 48 Cb 1.00 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.94 2kj1 h THR 48 CO 0.05 0.49 -0.29 0.16 0.37 0.00 0.00 175.52 176.30 2kj1 h ILE 49 N -0.37 1.24 -0.37 3.11 -2.65 -1.65 -2.24 117.51 114.57 2kj1 h ILE 49 Ca -0.02 -1.12 -0.05 0.00 1.03 0.00 0.00 64.86 64.69 2kj1 h ILE 49 Cb 0.93 1.52 -0.01 0.00 -2.05 0.00 0.00 36.82 37.21 2kj1 h ILE 49 CO 0.05 0.33 0.02 -1.13 0.03 0.00 0.00 178.15 177.45 2kj1 h ASN 50 N 0.10 0.63 -1.00 2.16 -0.73 -1.44 0.28 115.58 115.58 2kj1 h ASN 50 Ca 0.01 -0.29 0.01 0.00 1.87 0.00 0.00 56.30 57.91 2kj1 h ASN 50 Cb 0.58 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.95 2kj1 h ASN 50 CO 0.04 0.76 0.67 0.03 -0.37 0.00 0.00 177.43 178.56 2kj1 h ARG 51 N 0.47 1.31 0.05 6.67 2.47 -0.89 0.52 114.38 124.99 2kj1 h ARG 51 Ca 0.11 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2kj1 h ARG 51 Cb 0.43 -0.30 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2kj1 h ARG 51 CO 0.01 0.87 -0.03 1.49 0.56 0.00 0.00 179.97 182.88 2kj1 h GLU 52 N 1.35 -0.07 0.00 0.04 4.81 -0.99 -2.63 114.58 117.09 2kj1 h GLU 52 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 2kj1 h GLU 52 Cb -0.14 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2kj1 h GLU 52 CO -0.09 0.33 0.00 0.28 -0.73 0.00 0.00 179.01 178.81 2kj1 h VAL 53 N -0.49 0.00 0.29 0.32 2.07 -0.14 -1.91 116.25 116.38 2kj1 h VAL 53 Ca -0.01 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2kj1 h VAL 53 Cb 0.44 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2kj1 h VAL 53 CO 0.01 0.00 -0.14 0.28 0.02 0.00 0.00 177.57 177.74 2kj1 h SER 54 N 0.00 -0.33 -0.71 0.57 0.02 0.31 -2.82 113.55 110.59 2kj1 h SER 54 Ca 0.00 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2kj1 h SER 54 Cb 0.33 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2kj1 h SER 54 CO 0.00 0.09 0.47 0.40 -1.14 0.00 0.00 176.83 176.65 2kj1 h ILE 55 N -1.03 1.07 -0.30 3.27 2.04 -1.44 -2.28 117.51 118.85 2kj1 h ILE 55 Ca -0.04 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.58 2kj1 h ILE 55 Cb 0.30 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.49 2kj1 h ILE 55 CO 0.06 0.15 -0.54 0.25 0.00 0.00 0.00 178.15 178.08 2kj1 h LEU 56 N 0.82 -1.75 -0.83 1.44 7.12 -1.37 0.39 115.31 121.12 2kj1 h LEU 56 Ca 0.29 0.22 0.13 0.00 0.13 0.00 0.00 57.88 58.66 2kj1 h LEU 56 Cb 0.13 0.71 -0.09 0.00 -0.53 0.00 0.00 40.66 40.88 2kj1 h LEU 56 CO -0.09 -0.43 0.43 0.03 -0.13 0.00 0.00 178.44 178.25 2kj1 h ARG 57 N -0.47 0.63 -0.02 1.25 3.08 -1.15 -0.96 114.38 116.74 2kj1 h ARG 57 Ca 0.06 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2kj1 h ARG 57 Cb 0.63 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2kj1 h ARG 57 CO -0.53 0.42 -0.05 1.25 -1.07 0.00 0.00 179.97 179.99 2kj1 h HIS 58 N 0.65 -0.13 -0.75 3.04 2.76 -0.40 -2.26 115.15 118.06 2kj1 h HIS 58 Ca 0.44 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.77 2kj1 h HIS 58 Cb 0.57 0.06 -0.14 0.00 1.55 0.00 0.00 27.41 29.45 2kj1 h HIS 58 CO -0.09 -0.08 -0.15 0.77 -1.30 0.00 0.00 177.93 177.08 2kj1 h SER 59 N -0.08 -0.63 -0.20 3.26 0.02 0.99 0.15 113.55 117.05 2kj1 h SER 59 Ca 0.03 0.22 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 2kj1 h SER 59 Cb 0.12 0.44 -0.07 0.00 0.14 0.00 0.00 62.40 63.03 2kj1 h SER 59 CO -0.07 -0.24 -0.29 0.22 -1.14 0.00 0.00 176.83 175.31 2kj1 h TYR 60 N 0.02 -0.80 -0.09 3.45 3.20 -1.06 -2.22 116.97 119.47 2kj1 h TYR 60 Ca 0.37 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.29 2kj1 h TYR 60 Cb 0.59 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2kj1 h TYR 60 CO -0.56 -0.37 -0.12 1.96 -1.64 0.00 0.00 178.16 177.43 2kj1 h GLN 61 N -0.32 -0.08 -1.00 1.82 1.08 -0.47 -0.23 115.11 115.91 2kj1 h GLN 61 Ca 0.12 0.01 0.30 0.00 -1.45 0.00 0.00 58.65 57.62 2kj1 h GLN 61 Cb 0.51 0.02 -0.18 0.00 -0.05 0.00 0.00 27.48 27.78 2kj1 h GLN 61 CO -0.39 -0.05 0.10 0.87 -0.95 0.00 0.00 178.83 178.41 2kj1 h LYS 62 N -0.08 0.00 0.43 1.46 1.79 -1.13 -1.55 116.57 117.49 2kj1 h LYS 62 Ca 0.02 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2kj1 h LYS 62 Cb 0.13 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2kj1 h LYS 62 CO -0.13 0.00 -0.29 0.93 -1.08 0.00 0.00 179.45 178.88 2kj1 h GLU 63 N 0.00 -0.66 -0.71 3.15 5.08 -0.45 -0.08 114.58 120.91 2kj1 h GLU 63 Ca 0.64 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 59.20 2kj1 h GLU 63 Cb 1.39 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 30.67 2kj1 h GLU 63 CO -0.91 -0.44 0.02 0.97 -1.00 0.00 0.00 179.01 177.65 2kj1 h ILE 64 N -0.69 0.40 0.00 3.13 2.10 -0.71 1.91 117.51 123.65 2kj1 h ILE 64 Ca -0.06 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.84 2kj1 h ILE 64 Cb 0.56 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 36.56 2kj1 h ILE 64 CO 0.04 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.13 2kj1 n GLN 65 N -5.31 0.09 -0.01 2.19 10.64 -0.98 -2.42 117.38 121.59 2kj1 n GLN 65 Ca 0.12 0.36 -0.10 0.00 -1.83 0.00 0.00 57.00 55.55 2kj1 n GLN 65 Cb 0.44 -1.69 -0.08 0.00 -0.86 0.00 0.00 30.24 28.05 2kj1 n GLN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kj1 h ALA 66 N 2.35 -0.10 -0.12 2.61 0.00 0.49 -2.43 119.26 122.06 2kj1 h ALA 66 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2kj1 h ALA 66 Cb 0.27 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kj1 h ALA 66 CO 0.00 -0.14 0.12 -0.22 0.00 0.00 0.00 179.25 179.00 2kj1 h LYS 67 N -0.92 0.00 0.63 0.00 3.64 -1.17 -1.70 116.57 117.04 2kj1 h LYS 67 Ca -0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2kj1 h LYS 67 Cb 0.56 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2kj1 h LYS 67 CO 0.02 0.00 -0.30 1.49 -2.27 0.00 0.00 179.45 178.39 2kj1 h GLU 68 N 0.00 -0.81 -0.12 1.90 4.81 -1.41 -1.87 114.58 117.08 2kj1 h GLU 68 Ca 0.06 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2kj1 h GLU 68 Cb 0.29 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2kj1 h GLU 68 CO -0.00 -0.50 0.15 1.15 -0.73 0.00 0.00 179.01 179.08 2kj1 h THR 69 N -1.14 0.41 0.41 0.32 2.02 -0.90 -2.37 112.91 111.65 2kj1 h THR 69 Ca -0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2kj1 h THR 69 Cb 0.68 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2kj1 h THR 69 CO 0.14 0.00 -0.20 0.24 0.37 0.00 0.00 175.52 176.07 2kj1 h MET 70 N 0.00 -0.53 -1.08 6.66 2.86 -1.05 -2.17 114.93 119.62 2kj1 h MET 70 Ca 0.06 0.04 0.31 0.00 -2.06 0.00 0.00 59.70 58.04 2kj1 h MET 70 Cb 0.36 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 2kj1 h MET 70 CO -0.00 -0.26 0.78 0.87 1.06 0.00 0.00 176.91 179.36 2kj1 h LYS 71 N -1.05 0.01 0.32 1.72 1.57 -0.84 -0.38 116.57 117.91 2kj1 h LYS 71 Ca -0.06 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2kj1 h LYS 71 Cb 0.52 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2kj1 h LYS 71 CO 0.09 0.01 -0.15 1.49 -0.57 0.00 0.00 179.45 180.32 2kj1 h GLU 72 N 0.01 -0.41 -1.26 3.15 4.81 -1.30 -2.53 114.58 117.05 2kj1 h GLU 72 Ca 0.52 0.03 0.38 0.00 -0.13 0.00 0.00 59.36 60.16 2kj1 h GLU 72 Cb 2.05 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 31.42 2kj1 h GLU 72 CO -0.01 -0.09 0.82 0.28 -0.73 0.00 0.00 179.01 179.28 2kj1 h VAL 73 N -0.93 0.26 -0.05 0.32 2.07 -0.41 0.28 116.25 117.78 2kj1 h VAL 73 Ca -0.04 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2kj1 h VAL 73 Cb 0.51 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2kj1 h VAL 73 CO 0.07 0.03 -0.21 -0.07 0.02 0.00 0.00 177.57 177.41 2kj1 h LEU 74 N 0.17 0.27 -1.05 2.57 3.38 -1.39 -1.95 115.31 117.31 2kj1 h LEU 74 Ca 0.74 -0.64 0.33 0.00 0.09 0.00 0.00 57.88 58.39 2kj1 h LEU 74 Cb 2.29 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 42.81 2kj1 h LEU 74 CO -0.33 0.87 0.60 0.28 0.09 0.00 0.00 178.44 179.94 2kj1 h SER 75 N -0.30 0.50 0.22 -0.43 0.02 -0.00 0.23 113.55 113.79 2kj1 h SER 75 Ca -0.01 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2kj1 h SER 75 Cb 0.86 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2kj1 h SER 75 CO 0.04 -0.12 -0.11 0.44 -1.14 0.00 0.00 176.83 175.95 2kj1 h ASP 76 N 0.32 -0.25 -0.76 3.07 3.32 -1.40 -1.74 116.42 118.98 2kj1 h ASP 76 Ca 0.73 -0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.75 2kj1 h ASP 76 Cb 1.72 0.06 -0.13 0.00 0.22 0.00 0.00 39.33 41.20 2kj1 h ASP 76 CO -0.57 0.26 -0.42 -1.13 -1.72 0.00 0.00 179.24 175.66 2kj1 h ASN 77 N -1.02 -1.50 -0.13 6.45 -0.73 -0.25 0.28 115.58 118.68 2kj1 h ASN 77 Ca -0.03 0.27 0.00 0.00 1.87 0.00 0.00 56.30 58.41 2kj1 h ASN 77 Cb 0.38 0.72 -0.01 0.00 0.27 0.00 0.00 38.32 39.68 2kj1 h ASN 77 CO 0.05 -0.30 0.09 0.24 -0.37 0.00 0.00 177.43 177.13 2kj1 h MET 78 N -0.12 0.18 -0.09 6.67 2.86 -0.73 0.01 114.93 123.71 2kj1 h MET 78 Ca 0.24 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.91 2kj1 h MET 78 Cb 0.55 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 2kj1 h MET 78 CO -0.81 0.13 -0.33 1.49 1.06 0.00 0.00 176.91 178.45 2kj1 h GLU 79 N 0.17 -0.41 -0.66 1.72 4.81 0.11 0.52 114.58 120.83 2kj1 h GLU 79 Ca 0.05 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2kj1 h GLU 79 Cb -0.00 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2kj1 h GLU 79 CO -0.01 -0.28 0.44 0.28 -0.73 0.00 0.00 179.01 178.71 2kj1 h VAL 80 N -0.43 1.06 0.35 0.32 2.07 -0.37 -1.23 116.25 118.01 2kj1 h VAL 80 Ca 0.08 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2kj1 h VAL 80 Cb 0.56 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2kj1 h VAL 80 CO -0.33 0.14 -0.17 0.25 0.02 0.00 0.00 177.57 177.48 2kj1 h LEU 81 N 0.74 -0.40 -1.35 2.57 5.85 0.11 0.10 115.31 122.94 2kj1 h LEU 81 Ca 0.27 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.97 2kj1 h LEU 81 Cb 0.15 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2kj1 h LEU 81 CO -0.08 -0.20 0.59 0.28 -0.34 0.00 0.00 178.44 178.70 2kj1 h SER 82 N -0.58 0.00 0.00 1.25 0.02 0.11 -0.13 113.55 114.21 2kj1 h SER 82 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2kj1 h SER 82 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kj1 h SER 82 CO 0.08 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.10 2kj1 n ASP 83 N -2.88 0.00 -0.11 3.07 2.03 0.33 -3.33 116.55 115.67 2kj1 n ASP 83 Ca 0.01 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2kj1 n ASP 83 Cb 0.66 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 2kj1 n ASP 83 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kj1 n HIS 84 N -1.68 0.00 -0.93 -0.67 -0.00 -0.81 -4.81 115.22 106.32 2kj1 n HIS 84 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 2kj1 n HIS 84 Cb 0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 29.99 30.05 2kj1 n HIS 84 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 2kj1 n ILE 85 N -0.32 0.00 -1.70 1.59 3.06 -0.13 -4.54 119.36 117.33 2kj1 n ILE 85 Ca 0.00 -0.12 -0.44 0.00 -2.50 0.00 0.00 62.75 59.70 2kj1 n ILE 85 Cb 0.01 -0.14 -0.03 0.00 0.54 0.00 0.00 39.64 40.03 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 -3.59 0.48 -5.18 9.51 3.14 -1.26 -4.25 118.33 117.17 2kj1 n VAL 86 Ca -0.01 -0.12 -0.31 0.00 -2.96 0.00 0.00 64.34 60.94 2kj1 n VAL 86 Cb 0.71 -1.73 -0.17 0.00 -1.06 0.00 0.00 33.84 31.59 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 0.51 1.98 0.12 1.55 -1.09 -0.93 -4.76 121.20 118.59 2kj1 s ILE 87 Ca 0.72 -0.99 -0.33 0.00 -2.23 0.00 0.00 60.65 57.82 2kj1 s ILE 87 Cb -0.59 -1.70 -0.13 0.00 -1.58 0.00 0.00 42.46 38.47 2kj1 s ILE 87 CO 0.42 0.55 1.71 1.21 -1.23 0.00 0.00 174.94 177.59 2kj1 n GLU 88 N 3.34 2.41 0.00 2.79 2.13 -1.26 0.19 120.64 130.23 2kj1 n GLU 88 Ca -0.19 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.51 2kj1 n GLU 88 Cb 0.53 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.54 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 3.85 2.45 2.50 8.31 0.00 -1.26 -4.67 105.19 116.37 2kj1 n GLY 89 Ca 0.18 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 3.28 -4.63 0.99 7.94 0.58 -5.05 117.00 120.11 2kj1 n LEU 90 Ca 0.00 -5.38 -0.43 0.00 -1.11 0.00 0.00 56.01 49.09 2kj1 n LEU 90 Cb 0.00 -0.38 -0.02 0.00 0.53 0.00 0.00 43.42 43.55 2kj1 n LEU 90 CO 0.00 2.15 1.29 -0.55 -1.11 0.00 0.00 177.39 179.17 2kj1 s SER 91 N -2.55 6.47 0.54 1.96 0.15 0.49 -2.18 113.70 118.59 2kj1 s SER 91 Ca 0.42 1.46 0.30 0.00 0.70 0.00 0.00 55.95 58.82 2kj1 s SER 91 Cb 0.20 -2.53 1.46 0.00 -1.71 0.00 0.00 66.02 63.43 2kj1 s SER 91 CO -0.06 -1.21 1.92 0.00 1.20 0.00 0.00 173.24 175.10 2kj1 h ALA 92 N 10.26 2.72 -0.03 5.45 0.00 -1.80 -1.06 119.26 134.81 2kj1 h ALA 92 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kj1 h ALA 92 Cb 1.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kj1 h ALA 92 CO 1.01 -0.96 0.00 0.39 0.00 0.00 0.00 179.25 179.70 2kj1 n GLU 93 N -4.28 0.00 -0.33 0.00 1.02 -1.26 -1.68 120.64 114.11 2kj1 n GLU 93 Ca 0.16 0.50 0.04 0.00 -0.02 0.00 0.00 57.16 57.83 2kj1 n GLU 93 Cb 0.85 -1.39 0.12 0.00 -0.02 0.00 0.00 31.44 31.00 2kj1 n GLU 93 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2kj1 h GLU 94 N 0.00 -0.00 -0.05 3.49 4.81 -1.81 -0.27 114.58 120.74 2kj1 h GLU 94 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2kj1 h GLU 94 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2kj1 h GLU 94 CO 0.00 -0.00 -0.12 0.82 -0.73 0.00 0.00 179.01 178.97 2kj1 h ILE 95 N -0.00 0.00 -0.69 2.32 2.04 -1.19 -1.20 117.51 118.79 2kj1 h ILE 95 Ca 0.43 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.47 2kj1 h ILE 95 Cb 0.66 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.61 2kj1 h ILE 95 CO -0.94 0.00 -0.04 -0.38 0.00 0.00 0.00 178.15 176.79 2kj1 n ILE 96 N -3.25 -0.29 0.10 -0.67 5.41 -0.14 0.16 119.36 120.68 2kj1 n ILE 96 Ca -0.01 1.54 -0.12 0.00 1.00 0.00 0.00 62.75 65.16 2kj1 n ILE 96 Cb 0.08 -2.22 -0.05 0.00 -0.71 0.00 0.00 39.64 36.74 2kj1 n ILE 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2kj1 h LYS 97 N 0.00 -0.41 -0.75 0.38 3.64 -0.93 -0.31 116.57 118.19 2kj1 h LYS 97 Ca 0.39 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.95 2kj1 h LYS 97 Cb 0.76 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.53 2kj1 h LYS 97 CO -0.67 -0.27 -0.19 0.52 -2.27 0.00 0.00 179.45 176.57 2kj1 h MET 98 N -0.42 -0.00 0.00 1.90 2.86 0.19 2.01 114.93 121.47 2kj1 h MET 98 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2kj1 h MET 98 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2kj1 h MET 98 CO -0.14 -0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.24 2kj1 n GLY 99 N -1.49 -1.09 0.19 8.32 0.00 -0.65 -2.59 105.19 107.88 2kj1 n GLY 99 Ca 0.10 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 0.66 -0.38 1.61 4.81 0.49 2.03 114.58 123.80 2kj1 h GLU 100 Ca 0.00 -0.57 0.11 0.00 -0.13 0.00 0.00 59.36 58.77 2kj1 h GLU 100 Cb 0.29 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2kj1 h GLU 100 CO 0.00 1.19 0.34 1.79 -0.73 0.00 0.00 179.01 181.60 2kj1 h THR 101 N 0.32 0.54 0.00 0.32 1.35 -1.20 -3.35 112.91 110.89 2kj1 h THR 101 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2kj1 h THR 101 Cb 1.35 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2kj1 h THR 101 CO 0.14 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.93 2kj1 n VAL 102 N -3.99 0.00 1.04 6.82 0.31 -1.11 -5.17 118.33 116.23 2kj1 n VAL 102 Ca 0.06 0.02 0.08 0.00 -0.01 0.00 0.00 64.34 64.50 2kj1 n VAL 102 Cb 0.52 -1.02 0.49 0.00 -0.91 0.00 0.00 33.84 32.92 2kj1 n VAL 102 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40