#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 -0.24 -3.78 1.61 -0.02 -1.26 -5.01 135.00 126.30 2kj1 n PRO 44 Ca 0.00 -0.05 -0.19 0.00 -2.02 0.00 0.00 63.50 61.24 2kj1 n PRO 44 Cb 0.00 -1.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.49 0.78 0.63 2.55 3.84 -1.26 -4.99 114.94 115.00 2kj1 s ASN 45 Ca 0.48 0.02 0.17 0.00 0.21 0.00 0.00 52.86 53.74 2kj1 s ASN 45 Cb -0.17 -0.19 0.75 0.00 -0.55 0.00 0.00 41.25 41.09 2kj1 s ASN 45 CO 0.74 -0.17 1.36 0.11 -2.79 0.00 0.00 177.10 176.34 2kj1 h LYS 46 N 7.85 0.00 0.00 0.43 1.57 -2.01 1.48 116.57 125.88 2kj1 h LYS 46 Ca -0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 2kj1 h LYS 46 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 2kj1 h LYS 46 CO 0.33 0.00 -0.04 1.49 -0.57 0.00 0.00 179.45 180.66 2kj1 h GLU 47 N 0.00 0.00 0.07 3.15 4.57 -1.99 -2.73 114.58 117.65 2kj1 h GLU 47 Ca 0.19 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.17 2kj1 h GLU 47 Cb 2.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.59 2kj1 h GLU 47 CO -0.00 0.04 -1.04 1.15 -1.18 0.00 0.00 179.01 177.97 2kj1 h THR 48 N 0.00 1.21 -0.88 0.32 2.02 0.17 -2.55 112.91 113.20 2kj1 h THR 48 Ca -0.00 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.82 2kj1 h THR 48 Cb 0.80 2.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.97 2kj1 h THR 48 CO 0.01 0.61 0.57 0.16 0.37 0.00 0.00 175.52 177.23 2kj1 h ILE 49 N -0.58 1.23 -0.59 3.11 -0.00 -1.61 -2.02 117.51 117.06 2kj1 h ILE 49 Ca -0.24 -0.46 -0.03 0.00 -0.00 0.00 0.00 64.86 64.14 2kj1 h ILE 49 Cb 1.51 -0.05 -0.03 0.00 -0.00 0.00 0.00 36.82 38.26 2kj1 h ILE 49 CO 0.01 0.23 0.26 -1.13 -0.00 0.00 0.00 178.15 177.52 2kj1 h ASN 50 N 1.21 0.79 -0.70 2.16 -1.24 -1.59 -1.27 115.58 114.93 2kj1 h ASN 50 Ca 0.32 -0.15 0.14 0.00 0.71 0.00 0.00 56.30 57.31 2kj1 h ASN 50 Cb -0.11 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 38.70 2kj1 h ASN 50 CO -0.07 0.73 0.47 0.03 -1.29 0.00 0.00 177.43 177.30 2kj1 h ARG 51 N 0.81 0.39 0.13 6.67 2.47 -0.92 0.47 114.38 124.39 2kj1 h ARG 51 Ca 0.20 -0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 58.66 2kj1 h ARG 51 Cb 0.16 -0.09 0.03 0.00 -1.65 0.00 0.00 29.97 28.42 2kj1 h ARG 51 CO -0.02 0.26 -1.02 1.49 0.56 0.00 0.00 179.97 181.23 2kj1 h GLU 52 N 0.40 0.46 0.00 0.04 4.81 -1.02 -2.79 114.58 116.48 2kj1 h GLU 52 Ca 0.34 -0.67 -0.10 0.00 -0.13 0.00 0.00 59.36 58.80 2kj1 h GLU 52 Cb 0.77 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2kj1 h GLU 52 CO -0.10 1.30 -0.46 0.28 -0.73 0.00 0.00 179.01 179.29 2kj1 h VAL 53 N -0.04 1.17 0.42 0.32 2.07 -0.24 -2.23 116.25 117.72 2kj1 h VAL 53 Ca -0.16 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.65 2kj1 h VAL 53 Cb 1.76 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2kj1 h VAL 53 CO 0.19 0.45 -0.20 -1.28 0.02 0.00 0.00 177.57 176.76 2kj1 h SER 54 N 0.00 -0.48 -0.47 0.57 0.87 -0.15 -2.84 113.55 111.05 2kj1 h SER 54 Ca -0.00 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 2kj1 h SER 54 Cb 0.91 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2kj1 h SER 54 CO 0.06 -0.07 0.39 0.40 -0.53 0.00 0.00 176.83 177.09 2kj1 h ILE 55 N -1.11 0.57 0.06 2.23 2.04 -1.56 0.73 117.51 120.48 2kj1 h ILE 55 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2kj1 h ILE 55 Cb 0.43 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2kj1 h ILE 55 CO 0.09 0.00 -0.20 0.25 0.00 0.00 0.00 178.15 178.29 2kj1 h LEU 56 N 0.00 -0.58 -0.43 1.44 7.12 -1.28 0.18 115.31 121.76 2kj1 h LEU 56 Ca 0.22 0.07 0.08 0.00 0.13 0.00 0.00 57.88 58.38 2kj1 h LEU 56 Cb 1.01 0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 41.30 2kj1 h LEU 56 CO -0.00 -0.28 0.04 0.03 -0.13 0.00 0.00 178.44 178.10 2kj1 h ARG 57 N -0.36 0.15 -0.05 1.25 3.08 -0.62 -1.47 114.38 116.37 2kj1 h ARG 57 Ca 0.04 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.11 2kj1 h ARG 57 Cb 0.40 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 2kj1 h ARG 57 CO -0.15 0.10 -0.15 1.25 -1.07 0.00 0.00 179.97 179.95 2kj1 h HIS 58 N 0.15 -0.39 -0.67 3.04 2.76 -1.10 -1.95 115.15 117.00 2kj1 h HIS 58 Ca 0.21 0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.53 2kj1 h HIS 58 Cb 0.29 0.18 -0.13 0.00 1.55 0.00 0.00 27.41 29.30 2kj1 h HIS 58 CO -0.25 -0.22 -0.22 0.77 -1.30 0.00 0.00 177.93 176.71 2kj1 h SER 59 N -0.23 -0.79 -0.55 3.26 0.02 0.31 0.41 113.55 115.99 2kj1 h SER 59 Ca 0.07 0.21 0.11 0.00 -0.84 0.00 0.00 61.79 61.34 2kj1 h SER 59 Cb 0.32 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 63.23 2kj1 h SER 59 CO -0.18 -0.25 -0.11 0.22 -1.14 0.00 0.00 176.83 175.37 2kj1 h TYR 60 N -0.05 -0.24 -0.21 3.45 3.20 -0.58 -1.78 116.97 120.76 2kj1 h TYR 60 Ca 0.31 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.25 2kj1 h TYR 60 Cb 0.52 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 2kj1 h TYR 60 CO -0.58 -0.22 -0.23 0.37 -1.64 0.00 0.00 178.16 175.86 2kj1 h GLN 61 N 0.02 -0.13 -0.90 1.82 4.15 0.24 0.12 115.11 120.44 2kj1 h GLN 61 Ca 0.27 0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.92 2kj1 h GLN 61 Cb 0.42 0.03 -0.16 0.00 0.21 0.00 0.00 27.48 27.97 2kj1 h GLN 61 CO -0.55 -0.08 0.02 0.87 -1.93 0.00 0.00 178.83 177.15 2kj1 h LYS 62 N -0.13 0.06 0.07 1.69 1.79 -0.97 -0.26 116.57 118.82 2kj1 h LYS 62 Ca 0.04 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2kj1 h LYS 62 Cb 0.23 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2kj1 h LYS 62 CO -0.27 0.04 -0.16 0.93 -1.08 0.00 0.00 179.45 178.91 2kj1 h GLU 63 N 0.06 -0.24 -0.30 3.15 4.39 -0.19 0.30 114.58 121.75 2kj1 h GLU 63 Ca 0.52 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.31 2kj1 h GLU 63 Cb 1.00 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.63 2kj1 h GLU 63 CO -0.82 -0.16 -0.27 0.97 -1.16 0.00 0.00 179.01 177.57 2kj1 h ILE 64 N -0.25 0.33 0.00 3.13 6.09 -0.56 1.52 117.51 127.77 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 0.24 0.33 0.00 0.00 0.47 0.00 0.00 36.82 37.86 2kj1 h ILE 64 CO -0.06 0.00 0.11 0.00 -3.07 0.00 0.00 178.15 175.12 2kj1 n GLN 65 N -5.39 0.04 -0.04 2.19 6.02 -0.19 -1.09 117.38 118.92 2kj1 n GLN 65 Ca -0.00 0.48 -0.18 0.00 -0.01 0.00 0.00 57.00 57.29 2kj1 n GLN 65 Cb 0.31 -1.75 -0.13 0.00 1.02 0.00 0.00 30.24 29.69 2kj1 n GLN 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kj1 h ALA 66 N 1.63 0.05 -0.09 -1.58 0.00 0.60 -2.79 119.26 117.08 2kj1 h ALA 66 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 54.91 54.19 2kj1 h ALA 66 Cb 0.22 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kj1 h ALA 66 CO 0.00 0.32 0.09 -0.22 0.00 0.00 0.00 179.25 179.44 2kj1 h LYS 67 N -0.76 0.00 0.25 0.00 3.64 -0.52 0.33 116.57 119.51 2kj1 h LYS 67 Ca -0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2kj1 h LYS 67 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2kj1 h LYS 67 CO 0.01 0.00 -0.12 1.49 -2.27 0.00 0.00 179.45 178.56 2kj1 h GLU 68 N 0.00 -0.33 -0.38 1.90 4.81 -1.50 0.55 114.58 119.63 2kj1 h GLU 68 Ca 0.04 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.40 2kj1 h GLU 68 Cb 0.21 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2kj1 h GLU 68 CO -0.00 -0.22 0.31 1.15 -0.73 0.00 0.00 179.01 179.52 2kj1 h THR 69 N -0.67 0.67 0.21 0.32 2.02 -1.19 -1.57 112.91 112.69 2kj1 h THR 69 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2kj1 h THR 69 Cb 0.26 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2kj1 h THR 69 CO 0.06 0.00 -0.10 -0.03 0.37 0.00 0.00 175.52 175.82 2kj1 h MET 70 N 0.00 -0.27 -1.03 6.66 1.85 -0.32 -2.33 114.93 119.49 2kj1 h MET 70 Ca 0.18 0.02 0.30 0.00 -0.61 0.00 0.00 59.70 59.59 2kj1 h MET 70 Cb 0.79 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.84 2kj1 h MET 70 CO -0.00 0.12 0.79 -0.22 -0.40 0.00 0.00 176.91 177.20 2kj1 h LYS 71 N -0.78 0.00 -0.02 0.39 3.64 0.12 0.22 116.57 120.14 2kj1 h LYS 71 Ca -0.03 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2kj1 h LYS 71 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2kj1 h LYS 71 CO 0.05 0.00 -0.21 1.49 -2.27 0.00 0.00 179.45 178.51 2kj1 h GLU 72 N 0.00 0.17 -0.77 1.90 4.81 -1.24 -2.76 114.58 116.70 2kj1 h GLU 72 Ca 0.49 -0.16 0.17 0.00 -0.13 0.00 0.00 59.36 59.73 2kj1 h GLU 72 Cb 2.06 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 31.36 2kj1 h GLU 72 CO -0.01 0.86 0.20 0.28 -0.73 0.00 0.00 179.01 179.61 2kj1 h VAL 73 N -0.46 0.49 0.34 0.32 2.07 -0.01 -1.18 116.25 117.82 2kj1 h VAL 73 Ca -0.02 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2kj1 h VAL 73 Cb 0.92 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2kj1 h VAL 73 CO 0.04 0.05 -0.16 -0.07 0.02 0.00 0.00 177.57 177.45 2kj1 h LEU 74 N 0.27 -0.39 -0.89 2.57 3.38 -1.51 -0.36 115.31 118.39 2kj1 h LEU 74 Ca 0.44 -0.16 0.24 0.00 0.09 0.00 0.00 57.88 58.49 2kj1 h LEU 74 Cb 0.78 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.47 2kj1 h LEU 74 CO -0.53 -0.01 0.13 0.28 0.09 0.00 0.00 178.44 178.40 2kj1 h SER 75 N -0.81 -0.22 0.69 -0.43 0.02 -1.06 1.10 113.55 112.85 2kj1 h SER 75 Ca -0.05 0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.98 2kj1 h SER 75 Cb 0.52 0.35 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 2kj1 h SER 75 CO 0.08 -0.23 -0.70 0.44 -1.14 0.00 0.00 176.83 175.27 2kj1 h ASP 76 N 0.12 0.01 0.58 3.07 3.32 -1.18 -2.44 116.42 119.90 2kj1 h ASP 76 Ca 0.55 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.56 2kj1 h ASP 76 Cb 1.10 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.66 2kj1 h ASP 76 CO -0.75 0.71 -0.28 -1.13 -1.72 0.00 0.00 179.24 176.08 2kj1 h ASN 77 N 0.01 -0.66 -0.80 6.45 -0.73 0.29 -1.96 115.58 118.17 2kj1 h ASN 77 Ca -0.01 0.02 0.21 0.00 1.87 0.00 0.00 56.30 58.40 2kj1 h ASN 77 Cb 1.25 0.17 -0.04 0.00 0.27 0.00 0.00 38.32 39.97 2kj1 h ASN 77 CO 0.09 -0.30 0.56 0.24 -0.37 0.00 0.00 177.43 177.66 2kj1 h MET 78 N -1.13 0.15 0.35 6.67 2.86 -0.57 -0.79 114.93 122.46 2kj1 h MET 78 Ca -0.08 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2kj1 h MET 78 Cb 0.60 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2kj1 h MET 78 CO 0.13 0.10 -0.17 1.49 1.06 0.00 0.00 176.91 179.52 2kj1 h GLU 79 N 0.15 -0.45 -0.96 1.72 4.81 -1.25 0.59 114.58 119.18 2kj1 h GLU 79 Ca 0.40 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.84 2kj1 h GLU 79 Cb 1.33 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.72 2kj1 h GLU 79 CO -0.06 -0.18 0.61 0.28 -0.73 0.00 0.00 179.01 178.93 2kj1 h VAL 80 N -0.69 0.74 -0.06 0.32 2.07 -0.38 0.93 116.25 119.17 2kj1 h VAL 80 Ca -0.05 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 2kj1 h VAL 80 Cb 0.48 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2kj1 h VAL 80 CO 0.08 0.12 -0.11 0.25 0.02 0.00 0.00 177.57 177.94 2kj1 h LEU 81 N 0.68 0.21 -1.05 2.57 5.85 -1.00 -2.28 115.31 120.28 2kj1 h LEU 81 Ca 0.52 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2kj1 h LEU 81 Cb 0.91 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2kj1 h LEU 81 CO -0.29 0.71 0.59 0.28 -0.34 0.00 0.00 178.44 179.40 2kj1 h SER 82 N -0.29 0.00 0.00 1.25 0.02 0.26 0.72 113.55 115.52 2kj1 h SER 82 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kj1 h SER 82 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2kj1 h SER 82 CO 0.02 0.00 -0.06 -0.78 -1.14 0.00 0.00 176.83 174.88 2kj1 h ASP 83 N 0.00 0.00 0.00 3.07 1.82 -0.72 -3.27 116.42 117.33 2kj1 h ASP 83 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kj1 h ASP 83 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 2kj1 h ASP 83 CO 0.00 0.32 0.00 1.41 -1.61 0.00 0.00 179.24 179.36 2kj1 n HIS 84 N -3.63 0.00 -0.88 0.28 -0.00 -0.17 -4.79 115.22 106.04 2kj1 n HIS 84 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 2kj1 n HIS 84 Cb 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.11 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 -0.68 0.00 -0.97 1.59 0.13 0.07 -4.10 119.36 115.41 2kj1 n ILE 85 Ca 0.01 -0.23 -0.35 0.00 -1.10 0.00 0.00 62.75 61.08 2kj1 n ILE 85 Cb 0.01 -0.26 0.04 0.00 -0.84 0.00 0.00 39.64 38.58 2kj1 n ILE 85 CO 0.00 0.00 0.00 0.55 2.80 0.00 0.00 176.55 179.90 2kj1 n VAL 86 N -3.52 0.00 -3.53 9.51 3.14 -1.26 -4.22 118.33 118.46 2kj1 n VAL 86 Ca 0.00 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 2kj1 n VAL 86 Cb 0.64 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.38 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 -1.93 -0.84 -0.20 1.55 -1.09 -1.25 -4.74 121.20 112.71 2kj1 s ILE 87 Ca 0.39 0.00 -0.36 0.00 -2.23 0.00 0.00 60.65 58.45 2kj1 s ILE 87 Cb -0.16 -1.00 -0.12 0.00 -1.58 0.00 0.00 42.46 39.59 2kj1 s ILE 87 CO 0.80 0.00 1.92 -0.62 -1.23 0.00 0.00 174.94 175.81 2kj1 n GLU 88 N 5.31 1.69 0.00 2.79 1.02 -1.26 0.26 120.64 130.46 2kj1 n GLU 88 Ca -0.10 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2kj1 n GLU 88 Cb 0.50 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 2kj1 n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kj1 n GLY 89 N 4.83 3.04 2.24 0.62 0.00 -1.26 -4.78 105.19 109.88 2kj1 n GLY 89 Ca 0.28 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 0.88 -4.78 0.99 -0.00 0.78 -5.03 117.00 109.84 2kj1 n LEU 90 Ca 0.00 -4.91 -0.39 0.00 -0.00 0.00 0.00 56.01 50.72 2kj1 n LEU 90 Cb 0.00 0.51 -0.06 0.00 -0.00 0.00 0.00 43.42 43.87 2kj1 n LEU 90 CO 0.00 2.16 0.53 -0.55 -0.00 0.00 0.00 177.39 179.53 2kj1 s SER 91 N -1.82 7.39 0.37 1.96 0.15 0.14 -3.75 113.70 118.14 2kj1 s SER 91 Ca 0.38 1.70 0.16 0.00 0.70 0.00 0.00 55.95 58.89 2kj1 s SER 91 Cb 0.23 -2.52 1.04 0.00 -1.71 0.00 0.00 66.02 63.07 2kj1 s SER 91 CO -0.09 0.13 1.75 0.00 1.20 0.00 0.00 173.24 176.22 2kj1 h ALA 92 N 3.97 2.10 -0.86 5.45 0.00 -1.73 -2.23 119.26 125.95 2kj1 h ALA 92 Ca -0.47 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kj1 h ALA 92 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kj1 h ALA 92 CO 0.66 -0.54 0.00 -1.91 0.00 0.00 0.00 179.25 177.46 2kj1 n GLU 93 N -4.73 0.00 -0.32 0.00 2.13 -1.26 -1.32 120.64 115.14 2kj1 n GLU 93 Ca 0.27 0.48 0.02 0.00 0.66 0.00 0.00 57.16 58.58 2kj1 n GLU 93 Cb 0.86 -1.36 0.07 0.00 0.27 0.00 0.00 31.44 31.28 2kj1 n GLU 93 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2kj1 n GLU 94 N -1.78 -0.15 0.00 5.31 2.13 -0.89 0.23 120.64 125.50 2kj1 n GLU 94 Ca 0.00 1.31 0.00 0.00 0.66 0.00 0.00 57.16 59.13 2kj1 n GLU 94 Cb 0.00 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 29.77 2kj1 n GLU 94 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2kj1 n ILE 95 N -5.30 0.00 -0.08 6.31 5.41 -0.93 -0.73 119.36 124.04 2kj1 n ILE 95 Ca 0.11 1.44 -0.14 0.00 1.00 0.00 0.00 62.75 65.16 2kj1 n ILE 95 Cb 0.37 -2.16 -0.09 0.00 -0.71 0.00 0.00 39.64 37.06 2kj1 n ILE 95 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2kj1 h ILE 96 N 0.00 0.03 0.00 1.39 5.03 0.43 0.87 117.51 125.26 2kj1 h ILE 96 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 2kj1 h ILE 96 Cb 0.00 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 33.82 2kj1 h ILE 96 CO 0.00 0.00 0.58 0.50 -0.68 0.00 0.00 178.15 178.55 2kj1 h LYS 97 N -0.46 0.00 0.13 2.37 3.64 0.10 2.42 116.57 124.76 2kj1 h LYS 97 Ca 0.07 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.09 2kj1 h LYS 97 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2kj1 h LYS 97 CO -0.52 0.00 -1.94 1.98 -2.27 0.00 0.00 179.45 176.70 2kj1 h MET 98 N 0.00 0.27 0.00 1.90 4.05 0.29 -2.90 114.93 118.54 2kj1 h MET 98 Ca 0.00 -0.46 -0.02 0.00 -0.28 0.00 0.00 59.70 58.93 2kj1 h MET 98 Cb 1.16 0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 32.13 2kj1 h MET 98 CO 0.00 1.19 -0.11 0.78 0.23 0.00 0.00 176.91 178.99 2kj1 h GLY 99 N 1.19 0.00 0.41 1.39 0.00 0.59 -2.78 103.07 103.86 2kj1 h GLY 99 Ca -0.40 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.73 2kj1 h GLY 99 CO 0.10 0.00 -0.97 0.83 0.00 0.00 0.00 176.54 176.50 2kj1 h GLU 100 N 0.00 0.18 -0.57 4.80 4.39 -0.31 -1.30 114.58 121.77 2kj1 h GLU 100 Ca -0.00 -0.30 0.11 0.00 0.34 0.00 0.00 59.36 59.51 2kj1 h GLU 100 Cb 0.50 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.15 2kj1 h GLU 100 CO 0.01 1.15 -0.16 1.79 -1.16 0.00 0.00 179.01 180.64 2kj1 h THR 101 N -0.55 0.40 -1.22 1.13 1.35 -1.38 -3.37 112.91 109.27 2kj1 h THR 101 Ca -0.21 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.49 2kj1 h THR 101 Cb 1.52 0.40 -0.21 0.00 -1.73 0.00 0.00 68.15 68.13 2kj1 h THR 101 CO 0.03 0.00 -0.52 -0.69 -0.25 0.00 0.00 175.52 174.09 2kj1 s VAL 102 N -6.21 -0.83 -2.00 6.82 1.01 -1.06 -5.12 120.40 113.01 2kj1 s VAL 102 Ca -0.14 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2kj1 s VAL 102 Cb 0.18 -0.16 0.14 0.00 0.00 0.00 0.00 36.38 36.54 2kj1 s VAL 102 CO 0.73 -0.15 0.77 -0.11 0.00 0.00 0.00 175.10 176.34