#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k94 n THR 2 N 0.00 1.44 -0.34 6.66 -2.24 -1.26 -4.65 114.28 113.88 2k94 n THR 2 Ca 0.00 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.26 2k94 n THR 2 Cb 0.00 -0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.25 2k94 n THR 2 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2k94 h ILE 3 N 0.72 0.04 -0.94 2.28 -0.00 -1.95 1.28 117.51 118.95 2k94 h ILE 3 Ca -0.32 0.00 0.11 0.00 -0.00 0.00 0.00 64.86 64.66 2k94 h ILE 3 Cb 1.44 0.04 -0.07 0.00 -0.00 0.00 0.00 36.82 38.23 2k94 h ILE 3 CO 0.53 0.00 0.60 1.05 -0.00 0.00 0.00 178.15 180.33 2k94 h GLU 4 N -0.04 0.87 -1.84 2.19 4.11 -1.87 -0.83 114.58 117.17 2k94 h GLU 4 Ca 0.31 -0.05 0.54 0.00 0.07 0.00 0.00 59.36 60.23 2k94 h GLU 4 Cb 0.58 -0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 2k94 h GLU 4 CO -0.92 0.57 1.32 -1.91 0.07 0.00 0.00 179.01 178.14 2k94 n GLU 5 N -4.57 -0.00 -0.10 1.06 0.00 0.44 0.84 120.64 118.31 2k94 n GLU 5 Ca 0.17 1.02 -0.23 0.00 0.00 0.00 0.00 57.16 58.12 2k94 n GLU 5 Cb 0.36 -2.34 -0.11 0.00 0.00 0.00 0.00 31.44 29.34 2k94 n GLU 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2k94 n ARG 6 N -3.82 0.59 -0.30 5.31 1.74 -0.33 -4.08 116.66 115.77 2k94 n ARG 6 Ca 0.42 0.48 0.06 0.00 -0.77 0.00 0.00 57.85 58.03 2k94 n ARG 6 Cb 1.88 -1.69 0.20 0.00 -1.02 0.00 0.00 32.46 31.83 2k94 n ARG 6 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k94 h VAL 7 N -0.88 0.81 -0.37 1.55 2.07 0.41 -1.45 116.25 118.38 2k94 h VAL 7 Ca -0.43 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 66.92 2k94 h VAL 7 Cb 1.45 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 2k94 h VAL 7 CO -0.22 0.13 -0.22 0.11 0.02 0.00 0.00 177.57 177.39 2k94 h LYS 8 N 0.71 -0.16 0.00 1.57 6.56 0.26 0.57 116.57 126.09 2k94 h LYS 8 Ca 0.44 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.04 2k94 h LYS 8 Cb 0.53 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 2k94 h LYS 8 CO -0.31 -0.11 0.00 1.63 -2.06 0.00 0.00 179.45 178.61 2k94 n LYS 9 N -5.38 0.00 -0.34 3.15 5.02 -0.55 0.29 118.16 120.34 2k94 n LYS 9 Ca 0.02 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.70 2k94 n LYS 9 Cb 0.29 -0.83 0.21 0.00 -0.02 0.00 0.00 35.03 34.69 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k94 h ILE 10 N 0.00 0.03 0.00 -0.18 5.03 -1.59 0.79 117.51 121.60 2k94 h ILE 10 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 2k94 h ILE 10 Cb 0.00 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 33.82 2k94 h ILE 10 CO 0.00 0.00 0.00 -0.38 -0.68 0.00 0.00 178.15 177.09 2k94 n ILE 11 N -5.55 0.00 -0.34 -0.67 2.08 0.19 -0.34 119.36 114.73 2k94 n ILE 11 Ca 0.19 0.88 0.29 0.00 0.56 0.00 0.00 62.75 64.67 2k94 n ILE 11 Cb 0.62 -1.59 0.61 0.00 -0.75 0.00 0.00 39.64 38.54 2k94 n ILE 11 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2k94 h GLY 12 N 0.00 0.79 0.00 7.39 0.00 0.30 -2.44 103.07 109.11 2k94 h GLY 12 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2k94 h GLY 12 CO 0.00 -0.12 0.00 -1.06 0.00 0.00 0.00 176.54 175.36 2k94 n GLN 13 N -4.47 0.00 -0.33 4.80 3.00 0.27 0.11 117.38 120.76 2k94 n GLN 13 Ca 0.27 0.10 -0.05 0.00 -0.01 0.00 0.00 57.00 57.31 2k94 n GLN 13 Cb 1.09 -0.91 -0.03 0.00 0.00 0.00 0.00 30.24 30.38 2k94 n GLN 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2k94 n GLN 14 N -0.52 -0.28 -0.08 -1.09 6.02 0.54 0.52 117.38 122.48 2k94 n GLN 14 Ca 0.00 1.23 -0.11 0.00 -0.01 0.00 0.00 57.00 58.11 2k94 n GLN 14 Cb 0.00 -1.81 -0.06 0.00 1.02 0.00 0.00 30.24 29.39 2k94 n GLN 14 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2k94 h LEU 15 N 0.00 -1.45 0.00 1.08 7.12 -1.42 -3.47 115.31 117.18 2k94 h LEU 15 Ca 0.19 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.41 2k94 h LEU 15 Cb 0.39 0.61 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 2k94 h LEU 15 CO -0.78 -0.40 0.00 0.61 -0.13 0.00 0.00 178.44 177.75 2k94 n GLY 16 N -1.42 0.82 3.21 3.75 0.00 0.19 -5.10 105.19 106.65 2k94 n GLY 16 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2k94 n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k94 s VAL 17 N -1.24 0.01 0.97 1.61 -7.23 0.30 -5.00 120.40 109.81 2k94 s VAL 17 Ca 0.00 -0.06 -0.13 0.00 -1.81 0.00 0.00 61.98 59.97 2k94 s VAL 17 Cb 0.00 -0.47 0.03 0.00 0.56 0.00 0.00 36.38 36.50 2k94 s VAL 17 CO 0.00 -0.04 0.29 2.29 -0.31 0.00 0.00 175.10 177.34 2k94 n LYS 18 N 2.70 -0.36 0.26 4.82 2.85 -1.26 -3.37 118.16 123.80 2k94 n LYS 18 Ca -0.14 -0.07 0.12 0.00 -1.05 0.00 0.00 58.31 57.17 2k94 n LYS 18 Cb 0.58 -1.79 0.73 0.00 -0.65 0.00 0.00 35.03 33.90 2k94 n LYS 18 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 177.40 176.79 2k94 h GLN 19 N -1.56 0.00 -0.35 -1.58 -0.00 -1.88 -2.03 115.11 107.71 2k94 h GLN 19 Ca -0.44 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.04 2k94 h GLN 19 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2k94 h GLN 19 CO 0.34 0.10 -0.44 0.93 -0.00 0.00 0.00 178.83 179.76 2k94 h GLU 20 N 0.00 0.91 -0.65 0.06 3.07 -1.95 -3.10 114.58 112.91 2k94 h GLU 20 Ca -0.00 -0.52 0.06 0.00 -0.50 0.00 0.00 59.36 58.40 2k94 h GLU 20 Cb 0.26 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.15 2k94 h GLU 20 CO 0.01 1.16 0.36 1.49 -1.40 0.00 0.00 179.01 180.64 2k94 h GLU 21 N 0.72 0.64 -6.50 2.33 4.22 -1.69 -3.41 114.58 110.90 2k94 h GLU 21 Ca 0.04 -0.04 -0.53 0.00 0.08 0.00 0.00 59.36 58.92 2k94 h GLU 21 Cb 1.04 -0.15 0.04 0.00 0.50 0.00 0.00 28.75 30.18 2k94 h GLU 21 CO 0.10 0.43 1.13 0.28 -2.18 0.00 0.00 179.01 178.77 2k94 n VAL 22 N -4.80 0.41 -3.93 0.32 0.31 -1.17 -4.99 118.33 104.48 2k94 n VAL 22 Ca 0.08 -0.07 -0.22 0.00 -0.01 0.00 0.00 64.34 64.12 2k94 n VAL 22 Cb 0.17 -2.17 -0.04 0.00 -0.91 0.00 0.00 33.84 30.89 2k94 n VAL 22 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2k94 s THR 23 N 2.90 3.69 -0.01 2.52 -4.23 -1.26 -4.99 115.64 114.25 2k94 s THR 23 Ca 0.82 -1.43 -0.16 0.00 -1.18 0.00 0.00 61.69 59.74 2k94 s THR 23 Cb -0.46 -3.20 -0.09 0.00 1.34 0.00 0.00 72.50 70.09 2k94 s THR 23 CO 0.37 -0.22 0.77 0.78 -0.54 0.00 0.00 174.62 175.78 2k94 h ASN 24 N 1.36 -0.49 -0.60 3.99 -0.26 -1.95 -3.15 115.58 114.47 2k94 h ASN 24 Ca -0.45 0.02 -0.71 0.00 -0.56 0.00 0.00 56.30 54.59 2k94 h ASN 24 Cb 1.25 0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 38.58 2k94 h ASN 24 CO 0.59 -0.16 3.07 -3.20 -1.06 0.00 0.00 177.43 176.67 2k94 n ASN 25 N -4.59 8.01 -3.21 5.81 5.15 -1.26 -3.12 115.26 122.05 2k94 n ASN 25 Ca -0.07 -2.88 -0.12 0.00 -0.60 0.00 0.00 54.58 50.91 2k94 n ASN 25 Cb 0.23 -1.47 -0.01 0.00 -0.53 0.00 0.00 39.78 38.00 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k94 n ALA 26 N 2.86 0.32 -3.27 5.20 0.00 -1.25 -5.10 120.51 119.28 2k94 n ALA 26 Ca 0.68 -0.97 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 2k94 n ALA 26 Cb 0.25 0.43 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 2k94 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k94 s SER 27 N -2.35 -0.32 0.00 0.00 0.15 -1.26 -4.58 113.70 105.34 2k94 s SER 27 Ca 0.10 0.27 0.11 0.00 0.70 0.00 0.00 55.95 57.13 2k94 s SER 27 Cb -0.01 1.47 0.68 0.00 -1.71 0.00 0.00 66.02 66.45 2k94 s SER 27 CO 0.06 -0.30 1.44 0.49 1.20 0.00 0.00 173.24 176.13 2k94 n PHE 28 N 5.38 0.00 -0.09 3.44 3.01 0.22 -1.20 117.46 128.23 2k94 n PHE 28 Ca -0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 2k94 n PHE 28 Cb 0.51 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.84 2k94 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k94 n VAL 29 N -0.68 1.51 0.06 -4.37 0.31 -1.14 0.80 118.33 114.82 2k94 n VAL 29 Ca 0.09 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 2k94 n VAL 29 Cb 0.04 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2k94 n VAL 29 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k94 n GLU 30 N -3.09 0.00 0.00 5.55 1.02 -1.18 -4.18 120.64 118.77 2k94 n GLU 30 Ca -0.36 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 2k94 n GLU 30 Cb 1.07 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 32.20 2k94 n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k94 n ASP 31 N -3.27 0.00 0.04 1.62 2.03 -0.34 -1.90 116.55 114.73 2k94 n ASP 31 Ca 0.00 0.89 -0.07 0.00 0.52 0.00 0.00 54.79 56.14 2k94 n ASP 31 Cb 0.00 -0.44 -0.12 0.00 -0.72 0.00 0.00 41.12 39.84 2k94 n ASP 31 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2k94 h LEU 32 N 0.00 0.00 -2.45 -2.67 -0.00 -1.55 -3.50 115.31 105.14 2k94 h LEU 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2k94 h LEU 32 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 2k94 h LEU 32 CO 0.00 0.97 -0.76 0.61 -0.00 0.00 0.00 178.44 179.26 2k94 n GLY 33 N 1.41 -4.01 3.10 0.83 0.00 -0.80 -4.98 105.19 100.73 2k94 n GLY 33 Ca -0.05 0.52 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 2k94 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k94 s ALA 34 N -0.72 2.61 1.24 4.61 0.00 0.24 -4.94 121.76 124.81 2k94 s ALA 34 Ca -0.08 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.01 2k94 s ALA 34 Cb 0.01 -1.65 0.22 0.00 0.00 0.00 0.00 23.12 21.70 2k94 s ALA 34 CO 0.47 -1.17 0.49 -0.40 0.00 0.00 0.00 175.76 175.15 2k94 n ASP 35 N 4.48 -3.21 0.00 0.00 5.68 -1.26 -4.42 116.55 117.82 2k94 n ASP 35 Ca -0.14 -0.50 0.12 0.00 -0.50 0.00 0.00 54.79 53.77 2k94 n ASP 35 Cb 0.43 -0.58 0.69 0.00 -1.14 0.00 0.00 41.12 40.53 2k94 n ASP 35 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2k94 n SER 36 N -4.38 0.00 -0.11 -1.12 3.41 -1.26 -1.51 113.62 108.65 2k94 n SER 36 Ca 0.08 -1.05 -0.14 0.00 -0.26 0.00 0.00 58.87 57.50 2k94 n SER 36 Cb 0.34 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.17 2k94 n SER 36 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k94 n LEU 37 N -0.91 2.14 0.08 1.04 4.32 -1.26 -3.98 117.00 118.42 2k94 n LEU 37 Ca 0.18 -0.09 -0.18 0.00 -0.02 0.00 0.00 56.01 55.90 2k94 n LEU 37 Cb 0.08 -0.45 -0.14 0.00 -1.62 0.00 0.00 43.42 41.28 2k94 n LEU 37 CO 0.13 0.76 -0.30 -0.78 -1.22 0.00 0.00 177.39 175.98 2k94 h ASP 38 N 0.00 0.46 0.42 -1.43 1.82 -1.85 -3.20 116.42 112.63 2k94 h ASP 38 Ca -0.51 -0.60 -0.02 0.00 -0.39 0.00 0.00 57.03 55.51 2k94 h ASP 38 Cb 1.89 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.75 2k94 h ASP 38 CO -0.05 1.50 -0.20 0.74 -1.61 0.00 0.00 179.24 179.62 2k94 h THR 39 N 0.08 0.59 0.00 2.25 2.02 -1.48 -2.33 112.91 114.04 2k94 h THR 39 Ca -0.24 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2k94 h THR 39 Cb 2.03 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2k94 h THR 39 CO 0.18 0.03 -0.00 0.58 0.37 0.00 0.00 175.52 176.68 2k94 h VAL 40 N -0.65 0.00 -1.69 3.16 2.07 -1.71 0.14 116.25 117.56 2k94 h VAL 40 Ca -0.06 0.00 0.49 0.00 0.82 0.00 0.00 66.70 67.95 2k94 h VAL 40 Cb 0.48 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 2k94 h VAL 40 CO 0.09 0.00 1.35 -0.62 0.02 0.00 0.00 177.57 178.42 2k94 n GLU 41 N -2.46 0.00 0.01 1.57 1.02 -1.21 0.14 120.64 119.72 2k94 n GLU 41 Ca -0.00 1.05 -0.11 0.00 -0.02 0.00 0.00 57.16 58.08 2k94 n GLU 41 Cb 0.00 -2.48 -0.09 0.00 -0.02 0.00 0.00 31.44 28.85 2k94 n GLU 41 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k94 h LEU 42 N 0.00 -0.10 0.18 -4.62 6.46 -0.25 -3.07 115.31 113.92 2k94 h LEU 42 Ca 0.80 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 2k94 h LEU 42 Cb 3.51 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 43.46 2k94 h LEU 42 CO -0.01 0.53 -0.09 0.58 -0.62 0.00 0.00 178.44 178.83 2k94 h VAL 43 N -0.81 0.92 -0.97 1.05 2.07 0.33 -2.79 116.25 116.05 2k94 h VAL 43 Ca -0.01 -0.69 0.19 0.00 0.82 0.00 0.00 66.70 67.01 2k94 h VAL 43 Cb 0.59 1.33 -0.18 0.00 -1.52 0.00 0.00 31.29 31.50 2k94 h VAL 43 CO 0.02 0.15 -0.25 0.80 0.02 0.00 0.00 177.57 178.31 2k94 n MET 44 N -5.05 -0.09 0.46 1.57 1.56 0.16 -0.06 117.12 115.67 2k94 n MET 44 Ca -0.09 1.51 -0.20 0.00 -0.27 0.00 0.00 57.70 58.65 2k94 n MET 44 Cb 0.23 -2.25 -0.10 0.00 2.15 0.00 0.00 33.22 33.25 2k94 n MET 44 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k94 h ALA 45 N 1.91 -1.27 -0.61 -5.12 0.00 -1.48 -2.16 119.26 110.52 2k94 h ALA 45 Ca 0.46 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2k94 h ALA 45 Cb 0.70 0.57 -0.12 0.00 0.00 0.00 0.00 17.79 18.94 2k94 h ALA 45 CO -1.00 -1.23 -0.29 -0.07 0.00 0.00 0.00 179.25 176.67 2k94 h LEU 46 N -1.24 -1.00 -0.24 0.00 3.38 -0.39 0.85 115.31 116.67 2k94 h LEU 46 Ca -0.11 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2k94 h LEU 46 Cb 0.98 0.53 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 2k94 h LEU 46 CO 0.14 -0.28 -0.35 -0.33 0.09 0.00 0.00 178.44 177.71 2k94 h GLU 47 N -0.12 -0.26 -0.75 1.13 5.08 -0.28 0.76 114.58 120.13 2k94 h GLU 47 Ca 0.26 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 2k94 h GLU 47 Cb 0.54 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2k94 h GLU 47 CO -0.68 -0.17 0.50 1.49 -1.00 0.00 0.00 179.01 179.14 2k94 h GLU 48 N -0.27 0.83 -0.04 2.33 4.81 -0.63 0.26 114.58 121.87 2k94 h GLU 48 Ca 0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k94 h GLU 48 Cb 0.38 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2k94 h GLU 48 CO -0.37 0.55 -0.03 -1.91 -0.73 0.00 0.00 179.01 176.53 2k94 n GLU 49 N -4.47 -0.02 -0.70 1.92 4.07 0.29 0.09 120.64 121.82 2k94 n GLU 49 Ca 0.10 0.95 0.04 0.00 -0.06 0.00 0.00 57.16 58.19 2k94 n GLU 49 Cb 0.17 -1.42 0.30 0.00 -0.06 0.00 0.00 31.44 30.43 2k94 n GLU 49 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2k94 n PHE 50 N -3.03 1.63 -3.10 4.31 7.35 -1.06 -4.97 117.46 118.59 2k94 n PHE 50 Ca 0.00 -0.60 -0.04 0.00 -0.76 0.00 0.00 57.45 56.04 2k94 n PHE 50 Cb 0.01 -0.44 0.00 0.00 0.35 0.00 0.00 39.48 39.41 2k94 n PHE 50 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2k94 n ASP 51 N 0.41 -6.86 -3.47 -2.13 8.00 0.11 -5.02 116.55 107.59 2k94 n ASP 51 Ca 0.22 0.60 -0.13 0.00 0.71 0.00 0.00 54.79 56.20 2k94 n ASP 51 Cb 1.00 -2.63 -0.03 0.00 -0.02 0.00 0.00 41.12 39.44 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2k94 s THR 52 N -1.26 0.00 -0.58 -3.53 -1.32 -0.16 -4.97 115.64 103.82 2k94 s THR 52 Ca 0.05 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.45 2k94 s THR 52 Cb -0.01 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.13 2k94 s THR 52 CO 0.31 0.00 0.44 -1.61 -2.21 0.00 0.00 174.62 171.55 2k94 s GLU 53 N -2.86 2.67 -0.21 7.08 2.02 -1.26 -4.38 118.70 121.75 2k94 s GLU 53 Ca -0.01 -2.14 -0.29 0.00 0.02 0.00 0.00 54.97 52.55 2k94 s GLU 53 Cb -0.01 -3.93 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 2k94 s GLU 53 CO -0.06 -1.20 1.64 -1.50 0.02 0.00 0.00 175.26 174.17 2k94 s ILE 54 N 0.67 3.66 0.36 -1.63 -1.16 -1.26 -4.99 121.20 116.84 2k94 s ILE 54 Ca 0.12 0.74 -0.06 0.00 -0.51 0.00 0.00 60.65 60.94 2k94 s ILE 54 Cb -0.21 -3.66 0.09 0.00 0.61 0.00 0.00 42.46 39.28 2k94 s ILE 54 CO -0.03 -0.27 0.35 -0.81 -2.81 0.00 0.00 174.94 171.37 2k94 n PRO 55 N 7.66 -1.36 0.02 3.50 -0.04 -1.26 -4.94 135.00 138.58 2k94 n PRO 55 Ca 0.19 -0.56 -0.14 0.00 -0.04 0.00 0.00 63.50 62.96 2k94 n PRO 55 Cb 0.45 -0.48 -0.14 0.00 -0.04 0.00 0.00 33.50 33.29 2k94 n PRO 55 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2k94 h ASP 56 N -1.30 0.22 0.50 3.54 3.04 -1.99 -3.23 116.42 117.20 2k94 h ASP 56 Ca -0.13 -0.36 -0.02 0.00 -3.24 0.00 0.00 57.03 53.27 2k94 h ASP 56 Cb 0.38 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 2k94 h ASP 56 CO 0.08 1.31 -0.24 -0.33 -2.04 0.00 0.00 179.24 178.03 2k94 h GLU 57 N 0.04 -0.65 -1.02 4.15 5.08 -2.02 -2.74 114.58 117.42 2k94 h GLU 57 Ca -0.26 0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.42 2k94 h GLU 57 Cb 1.99 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 31.33 2k94 h GLU 57 CO 0.12 -0.43 0.70 0.93 -1.00 0.00 0.00 179.01 179.33 2k94 h GLU 58 N -0.72 0.17 0.00 2.33 5.08 -1.94 0.86 114.58 120.35 2k94 h GLU 58 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k94 h GLU 58 Cb 0.52 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2k94 h GLU 58 CO 0.11 0.11 0.23 0.00 -1.00 0.00 0.00 179.01 178.47 2k94 h ALA 59 N 1.54 1.23 -1.53 3.43 0.00 -1.50 -1.90 119.26 120.53 2k94 h ALA 59 Ca 0.52 0.00 0.44 0.00 0.00 0.00 0.00 54.91 55.87 2k94 h ALA 59 Cb 1.72 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 2k94 h ALA 59 CO -0.12 -0.23 1.18 1.05 0.00 0.00 0.00 179.25 181.13 2k94 h GLU 60 N 0.00 0.00 -2.20 0.00 4.11 0.76 0.54 114.58 117.79 2k94 h GLU 60 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 2k94 h GLU 60 Cb 0.47 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.30 2k94 h GLU 60 CO 0.00 0.00 -0.72 1.63 0.07 0.00 0.00 179.01 179.99 2k94 n LYS 61 N -3.90 2.58 -2.70 1.06 5.02 -0.71 -4.79 118.16 114.72 2k94 n LYS 61 Ca 0.34 -4.52 -0.06 0.00 -2.02 0.00 0.00 58.31 52.05 2k94 n LYS 61 Cb 1.65 -2.11 0.09 0.00 -0.02 0.00 0.00 35.03 34.64 2k94 n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2k94 n ILE 62 N 0.27 0.37 -0.01 -0.18 5.41 0.18 -3.87 119.36 121.53 2k94 n ILE 62 Ca 0.29 -1.95 0.00 0.00 1.00 0.00 0.00 62.75 62.09 2k94 n ILE 62 Cb 0.44 0.94 0.01 0.00 -0.71 0.00 0.00 39.64 40.31 2k94 n ILE 62 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k94 n THR 63 N -0.61 0.93 -3.21 1.39 -2.24 -1.26 -4.88 114.28 104.40 2k94 n THR 63 Ca -0.01 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 2k94 n THR 63 Cb 0.84 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 2k94 n THR 63 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2k94 n THR 64 N -0.42 0.00 0.00 4.28 -2.24 -1.26 -0.61 114.28 114.03 2k94 n THR 64 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k94 n THR 64 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2k94 n THR 64 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2k94 n VAL 65 N 0.00 0.00 -0.28 2.28 0.31 -1.26 -3.56 118.33 115.82 2k94 n VAL 65 Ca 0.00 0.46 -0.00 0.00 -0.01 0.00 0.00 64.34 64.78 2k94 n VAL 65 Cb 0.00 -1.37 0.07 0.00 -0.91 0.00 0.00 33.84 31.63 2k94 n VAL 65 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2k94 h GLN 66 N 0.00 -0.04 -0.47 5.55 1.08 -1.50 -1.07 115.11 118.65 2k94 h GLN 66 Ca 0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 2k94 h GLN 66 Cb 0.00 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 2k94 h GLN 66 CO 0.00 -0.03 -0.28 0.00 -0.95 0.00 0.00 178.83 177.57 2k94 n ALA 67 N -3.31 -0.30 -0.24 3.87 0.00 -1.26 0.30 120.51 119.57 2k94 n ALA 67 Ca 0.09 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.91 2k94 n ALA 67 Cb 0.39 0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.06 2k94 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k94 h ALA 68 N -0.25 0.12 -0.58 0.00 0.00 -1.26 1.20 119.26 118.49 2k94 h ALA 68 Ca 0.08 0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2k94 h ALA 68 Cb 0.19 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2k94 h ALA 68 CO -0.45 -0.60 0.40 0.82 0.00 0.00 0.00 179.25 179.42 2k94 h ILE 69 N -0.10 0.82 -0.26 0.00 2.04 -0.10 0.12 117.51 120.02 2k94 h ILE 69 Ca 0.28 -0.08 -0.16 0.00 1.00 0.00 0.00 64.86 65.89 2k94 h ILE 69 Cb 0.55 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2k94 h ILE 69 CO -0.73 0.04 -0.50 -0.78 0.00 0.00 0.00 178.15 176.18 2k94 h ASP 70 N 0.24 0.79 -0.23 1.72 3.58 0.60 0.32 116.42 123.45 2k94 h ASP 70 Ca 0.28 -0.40 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 2k94 h ASP 70 Cb 0.76 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2k94 h ASP 70 CO -0.06 1.15 -0.07 0.22 -2.88 0.00 0.00 179.24 177.60 2k94 h TYR 71 N 0.57 0.51 0.00 0.28 3.20 0.13 -2.75 116.97 118.91 2k94 h TYR 71 Ca 0.03 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 2k94 h TYR 71 Cb 1.06 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 2k94 h TYR 71 CO 0.06 0.70 -0.03 0.82 -1.64 0.00 0.00 178.16 178.06 2k94 h ILE 72 N 0.18 0.06 0.00 1.81 1.08 -1.06 0.10 117.51 119.67 2k94 h ILE 72 Ca 0.06 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 2k94 h ILE 72 Cb 0.54 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 2k94 h ILE 72 CO 0.03 0.03 0.00 0.59 -0.69 0.00 0.00 178.15 178.10 2k94 n ASN 73 N -3.12 0.00 0.00 1.72 3.02 0.11 -4.65 115.26 112.34 2k94 n ASN 73 Ca 0.02 0.89 0.00 0.00 -0.03 0.00 0.00 54.58 55.46 2k94 n ASN 73 Cb 0.43 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2k94 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k94 n GLY 74 N -0.38 -2.66 1.83 7.41 0.00 -1.08 -5.01 105.19 105.30 2k94 n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k94 n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k94 n HIS 75 N -0.02 -4.65 -1.17 1.61 1.44 0.35 -4.56 115.22 108.21 2k94 n HIS 75 Ca 0.00 2.49 -0.52 0.00 -2.01 0.00 0.00 57.72 57.68 2k94 n HIS 75 Cb 0.48 -3.61 -0.11 0.00 0.12 0.00 0.00 29.99 26.87 2k94 n HIS 75 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2k94 n GLN 76 N 0.70 0.00 -0.55 -1.40 1.13 -1.26 -4.96 117.38 111.04 2k94 n GLN 76 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2k94 n GLN 76 Cb 0.00 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 28.98 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62