#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 0.00 0.16 2.46 -2.24 -1.26 -4.72 114.28 108.68 2k94 n THR 2 Ca 0.00 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 2k94 n THR 2 Cb 0.00 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.23 2k94 n THR 2 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2k94 h ILE 3 N -2.66 0.27 -0.20 2.28 1.08 -1.83 -2.40 117.51 114.03 2k94 h ILE 3 Ca -0.62 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 2k94 h ILE 3 Cb 1.34 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2k94 h ILE 3 CO 0.48 0.00 0.09 1.05 -0.69 0.00 0.00 178.15 179.08 2k94 h GLU 4 N -0.64 0.30 -0.94 2.37 4.11 -1.80 -1.35 114.58 116.62 2k94 h GLU 4 Ca 0.01 -0.05 0.35 0.00 0.07 0.00 0.00 59.36 59.74 2k94 h GLU 4 Cb 0.63 -0.05 -0.17 0.00 0.50 0.00 0.00 28.75 29.66 2k94 h GLU 4 CO -0.15 0.34 0.36 0.39 0.07 0.00 0.00 179.01 180.01 2k94 n GLU 5 N -4.84 -0.06 0.09 1.06 -0.58 -1.03 0.19 120.64 115.47 2k94 n GLU 5 Ca -0.04 1.33 -0.18 0.00 -0.42 0.00 0.00 57.16 57.85 2k94 n GLU 5 Cb 0.11 -2.30 -0.14 0.00 -0.57 0.00 0.00 31.44 28.53 2k94 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k94 h ARG 6 N 0.00 0.31 -0.40 3.49 3.08 -1.07 -3.30 114.38 116.50 2k94 h ARG 6 Ca 0.73 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2k94 h ARG 6 Cb 1.82 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 32.05 2k94 h ARG 6 CO -0.77 1.22 0.19 0.28 -1.07 0.00 0.00 179.97 179.81 2k94 h VAL 7 N 0.09 1.17 -0.39 2.04 2.07 0.33 -2.88 116.25 118.67 2k94 h VAL 7 Ca -0.21 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 66.91 2k94 h VAL 7 Cb 2.03 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 32.47 2k94 h VAL 7 CO 0.20 0.18 -0.20 0.11 0.02 0.00 0.00 177.57 177.88 2k94 h LYS 8 N 0.51 -0.12 0.00 1.57 1.79 0.11 0.83 116.57 121.25 2k94 h LYS 8 Ca 0.14 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2k94 h LYS 8 Cb 0.11 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2k94 h LYS 8 CO -0.02 -0.08 0.00 1.17 -1.08 0.00 0.00 179.45 179.44 2k94 n LYS 9 N -5.37 0.00 -0.23 3.15 4.81 -1.09 -0.24 118.16 119.19 2k94 n LYS 9 Ca 0.02 0.52 -0.01 0.00 -0.87 0.00 0.00 58.31 57.97 2k94 n LYS 9 Cb 0.28 -1.03 0.06 0.00 0.02 0.00 0.00 35.03 34.37 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2k94 h ILE 10 N 0.00 0.26 0.00 3.15 2.04 -1.57 0.34 117.51 121.72 2k94 h ILE 10 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k94 h ILE 10 Cb 0.00 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2k94 h ILE 10 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.77 2k94 n ILE 11 N -5.46 0.00 -0.31 -0.67 2.08 0.28 0.11 119.36 115.38 2k94 n ILE 11 Ca 0.08 0.95 0.14 0.00 0.56 0.00 0.00 62.75 64.49 2k94 n ILE 11 Cb 0.36 -1.51 0.32 0.00 -0.75 0.00 0.00 39.64 38.07 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 1.60 0.00 7.39 0.00 -0.37 -2.23 103.07 109.46 2k94 h GLY 12 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2k94 h GLY 12 CO 0.00 -0.28 0.00 -1.06 0.00 0.00 0.00 176.54 175.20 2k94 n GLN 13 N -5.04 0.00 -0.56 4.80 3.00 0.12 0.15 117.38 119.85 2k94 n GLN 13 Ca 0.23 0.71 0.46 0.00 -0.01 0.00 0.00 57.00 58.39 2k94 n GLN 13 Cb 0.69 -1.49 0.73 0.00 0.00 0.00 0.00 30.24 30.16 2k94 n GLN 13 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 2k94 h GLN 14 N 0.00 0.00 0.00 -1.09 4.20 0.14 0.58 115.11 118.93 2k94 h GLN 14 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k94 h GLN 14 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2k94 h GLN 14 CO 0.00 0.00 -0.07 1.25 -0.67 0.00 0.00 178.83 179.34 2k94 h LEU 15 N 0.00 0.00 0.00 1.46 7.12 -0.53 -3.45 115.31 119.91 2k94 h LEU 15 Ca 0.81 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.82 2k94 h LEU 15 Cb 3.49 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 43.62 2k94 h LEU 15 CO -0.01 0.35 0.00 0.61 -0.13 0.00 0.00 178.44 179.26 2k94 n GLY 16 N 1.82 0.14 3.27 3.75 0.00 0.40 -5.10 105.19 109.47 2k94 n GLY 16 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.15 0.08 0.88 1.61 -7.23 -0.82 -5.01 120.40 109.76 2k94 s VAL 17 Ca 0.00 -0.65 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 2k94 s VAL 17 Cb 0.00 -1.00 0.13 0.00 0.56 0.00 0.00 36.38 36.06 2k94 s VAL 17 CO 0.00 -0.36 1.16 2.29 -0.31 0.00 0.00 175.10 177.88 2k94 n LYS 18 N 0.40 -0.25 0.29 4.82 2.85 -1.26 -3.45 118.16 121.56 2k94 n LYS 18 Ca -0.18 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.22 2k94 n LYS 18 Cb 0.60 -2.40 0.86 0.00 -0.65 0.00 0.00 35.03 33.45 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 -1.57 0.00 0.14 -1.58 -0.00 -1.86 -2.57 115.11 107.67 2k94 h GLN 19 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.20 2k94 h GLN 19 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2k94 h GLN 19 CO 0.43 0.02 -0.07 0.93 -0.00 0.00 0.00 178.83 180.14 2k94 h GLU 20 N 0.00 -0.18 -1.41 0.06 5.08 -1.94 -3.17 114.58 113.02 2k94 h GLU 20 Ca -0.00 0.01 0.42 0.00 -1.00 0.00 0.00 59.36 58.79 2k94 h GLU 20 Cb 0.04 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.24 2k94 h GLU 20 CO 0.00 0.28 0.97 1.49 -1.00 0.00 0.00 179.01 180.75 2k94 h GLU 21 N -0.87 0.08 -6.66 2.33 4.22 -1.81 -3.39 114.58 108.48 2k94 h GLU 21 Ca -0.02 -0.00 -0.55 0.00 0.08 0.00 0.00 59.36 58.86 2k94 h GLU 21 Cb 0.53 -0.02 0.07 0.00 0.50 0.00 0.00 28.75 29.84 2k94 h GLU 21 CO 0.03 0.05 0.82 0.28 -2.18 0.00 0.00 179.01 178.01 2k94 n VAL 22 N -4.36 0.61 -2.72 0.32 0.31 -1.14 -5.00 118.33 106.36 2k94 n VAL 22 Ca 0.34 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 2k94 n VAL 22 Cb 1.45 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 2k94 n VAL 22 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2k94 n THR 23 N 2.67 0.00 0.02 2.52 -2.24 -1.26 -5.01 114.28 110.98 2k94 n THR 23 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2k94 n THR 23 Cb 0.33 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 2k94 n THR 23 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k94 n ASN 24 N -2.49 0.21 -0.21 3.42 4.05 -1.26 -3.11 115.26 115.87 2k94 n ASN 24 Ca 0.00 0.06 -0.08 0.00 0.45 0.00 0.00 54.58 55.00 2k94 n ASN 24 Cb 0.00 -0.04 0.02 0.00 1.23 0.00 0.00 39.78 40.99 2k94 n ASN 24 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 177.26 173.08 2k94 h ASN 25 N 0.00 0.88 -1.90 1.20 -1.24 -2.00 -3.38 115.58 109.14 2k94 h ASN 25 Ca 0.00 -0.24 -0.54 0.00 0.71 0.00 0.00 56.30 56.23 2k94 h ASN 25 Cb 0.00 -0.23 0.21 0.00 0.73 0.00 0.00 38.32 39.02 2k94 h ASN 25 CO 0.00 0.89 -1.52 0.00 -1.29 0.00 0.00 177.43 175.51 2k94 n ALA 26 N -2.41 -4.46 -3.60 1.57 0.00 -1.26 -4.90 120.51 105.45 2k94 n ALA 26 Ca 0.03 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.66 2k94 n ALA 26 Cb 0.24 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.95 5.46 0.59 0.00 0.15 -1.26 -4.62 113.70 113.07 2k94 s SER 27 Ca 0.44 -1.84 0.26 0.00 0.70 0.00 0.00 55.95 55.51 2k94 s SER 27 Cb -0.29 -1.92 1.43 0.00 -1.71 0.00 0.00 66.02 63.53 2k94 s SER 27 CO 0.73 -0.58 1.78 0.15 1.20 0.00 0.00 173.24 176.52 2k94 h PHE 28 N 8.25 0.00 -0.26 3.44 3.57 -1.67 0.99 116.94 131.27 2k94 h PHE 28 Ca -0.18 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.16 2k94 h PHE 28 Cb 1.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2k94 h PHE 28 CO 0.60 0.00 -0.49 0.28 -2.23 0.00 0.00 178.31 176.46 2k94 h VAL 29 N 0.00 1.30 0.00 1.41 2.07 -1.70 0.07 116.25 119.40 2k94 h VAL 29 Ca 0.00 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.82 2k94 h VAL 29 Cb 0.65 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2k94 h VAL 29 CO 0.00 0.54 -0.12 -0.62 0.02 0.00 0.00 177.57 177.39 2k94 n GLU 30 N -4.00 0.06 -0.33 1.57 -0.58 0.15 -3.19 120.64 114.31 2k94 n GLU 30 Ca -0.03 0.02 0.32 0.00 -0.42 0.00 0.00 57.16 57.05 2k94 n GLU 30 Cb 0.58 -0.45 0.57 0.00 -0.57 0.00 0.00 31.44 31.57 2k94 n GLU 30 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k94 n ASP 31 N -3.21 0.29 -0.11 1.62 9.92 0.29 -0.84 116.55 124.52 2k94 n ASP 31 Ca -0.02 1.47 -0.15 0.00 -0.53 0.00 0.00 54.79 55.56 2k94 n ASP 31 Cb 0.06 -0.72 -0.10 0.00 -0.64 0.00 0.00 41.12 39.72 2k94 n ASP 31 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k94 n LEU 32 N -4.96 2.96 -0.15 0.64 7.99 -1.17 -4.98 117.00 117.34 2k94 n LEU 32 Ca 0.36 -0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 2k94 n LEU 32 Cb 1.26 -0.77 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 2k94 n LEU 32 CO 0.05 0.87 0.00 0.61 -1.51 0.00 0.00 177.39 177.41 2k94 n GLY 33 N 2.44 0.83 3.56 -0.72 0.00 -0.02 -4.98 105.19 106.29 2k94 n GLY 33 Ca -0.39 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.31 2.44 1.09 4.61 0.00 -0.10 -4.95 121.76 122.53 2k94 s ALA 34 Ca 0.00 -1.83 -0.14 0.00 0.00 0.00 0.00 51.96 49.99 2k94 s ALA 34 Cb 0.00 -4.48 0.22 0.00 0.00 0.00 0.00 23.12 18.87 2k94 s ALA 34 CO 0.00 -3.86 0.51 -0.40 0.00 0.00 0.00 175.76 172.00 2k94 n ASP 35 N 10.42 -3.22 0.00 0.00 5.75 -1.26 -3.75 116.55 124.49 2k94 n ASP 35 Ca 0.29 -0.51 0.06 0.00 -0.01 0.00 0.00 54.79 54.62 2k94 n ASP 35 Cb 0.50 -0.74 0.29 0.00 -1.03 0.00 0.00 41.12 40.14 2k94 n ASP 35 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2k94 n SER 36 N -2.59 0.00 0.00 -1.12 3.41 -1.26 0.06 113.62 112.12 2k94 n SER 36 Ca 0.08 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 2k94 n SER 36 Cb 0.35 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.41 0.78 -0.05 1.04 4.77 -1.26 -3.61 117.00 117.26 2k94 n LEU 37 Ca 0.04 -0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 2k94 n LEU 37 Cb 0.13 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2k94 n LEU 37 CO 0.11 0.18 -0.83 -0.67 -1.33 0.00 0.00 177.39 174.85 2k94 n ASP 38 N -1.63 2.97 -0.03 -1.43 4.64 -0.33 -4.33 116.55 116.41 2k94 n ASP 38 Ca 0.03 -0.03 -0.13 0.00 -1.38 0.00 0.00 54.79 53.28 2k94 n ASP 38 Cb 0.37 0.28 -0.09 0.00 -1.04 0.00 0.00 41.12 40.64 2k94 n ASP 38 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 2k94 h THR 39 N 0.00 1.37 0.24 5.18 2.02 -0.46 -2.53 112.91 118.72 2k94 h THR 39 Ca -0.25 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 2k94 h THR 39 Cb 1.47 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 2k94 h THR 39 CO -0.01 0.32 -0.25 0.58 0.37 0.00 0.00 175.52 176.53 2k94 h VAL 40 N -0.31 0.00 -0.32 3.16 2.07 -1.77 0.84 116.25 119.92 2k94 h VAL 40 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 2k94 h VAL 40 Cb 0.54 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2k94 h VAL 40 CO 0.01 0.00 0.64 -0.33 0.02 0.00 0.00 177.57 177.92 2k94 h GLU 41 N -0.49 0.00 0.11 1.57 5.08 -1.76 1.18 114.58 120.27 2k94 h GLU 41 Ca -0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 2k94 h GLU 41 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2k94 h GLU 41 CO -0.03 0.00 -1.65 1.25 -1.00 0.00 0.00 179.01 177.58 2k94 h LEU 42 N 0.00 0.35 0.00 1.33 6.46 -0.57 -3.30 115.31 119.58 2k94 h LEU 42 Ca 0.15 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2k94 h LEU 42 Cb 1.44 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 2k94 h LEU 42 CO -0.00 1.47 -0.03 0.58 -0.62 0.00 0.00 178.44 179.85 2k94 h VAL 43 N 0.06 0.00 -0.84 1.05 2.07 0.81 -3.06 116.25 116.34 2k94 h VAL 43 Ca -0.28 -0.57 0.35 0.00 0.82 0.00 0.00 66.70 67.01 2k94 h VAL 43 Cb 2.02 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.64 2k94 h VAL 43 CO 0.14 0.00 0.46 0.23 0.02 0.00 0.00 177.57 178.41 2k94 n MET 44 N -3.59 -0.05 0.28 1.57 2.81 0.18 0.11 117.12 118.43 2k94 n MET 44 Ca -0.00 1.14 -0.15 0.00 -1.81 0.00 0.00 57.70 56.88 2k94 n MET 44 Cb 0.01 -2.05 -0.08 0.00 -0.71 0.00 0.00 33.22 30.40 2k94 n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k94 h ALA 45 N 1.64 -0.72 -0.97 3.04 0.00 -1.68 -3.12 119.26 117.45 2k94 h ALA 45 Ca 0.70 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.53 2k94 h ALA 45 Cb 1.88 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 19.82 2k94 h ALA 45 CO -0.63 -0.77 -0.51 1.28 0.00 0.00 0.00 179.25 178.62 2k94 n LEU 46 N -5.31 -0.90 -0.09 0.00 4.32 0.30 -1.11 117.00 114.22 2k94 n LEU 46 Ca -0.11 1.72 -0.03 0.00 -0.02 0.00 0.00 56.01 57.56 2k94 n LEU 46 Cb 0.33 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 41.82 2k94 n LEU 46 CO 0.31 -1.44 0.50 -0.33 -1.22 0.00 0.00 177.39 175.20 2k94 h GLU 47 N 0.00 -0.03 -1.12 3.23 3.07 -1.44 0.71 114.58 119.01 2k94 h GLU 47 Ca 0.22 0.00 0.34 0.00 -0.50 0.00 0.00 59.36 59.42 2k94 h GLU 47 Cb 0.46 0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 28.25 2k94 h GLU 47 CO -0.93 -0.02 0.69 1.49 -1.40 0.00 0.00 179.01 178.84 2k94 h GLU 48 N -0.03 0.26 -1.04 2.33 4.81 -1.06 1.25 114.58 121.10 2k94 h GLU 48 Ca 0.04 -0.02 0.27 0.00 -0.13 0.00 0.00 59.36 59.52 2k94 h GLU 48 Cb 0.12 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 2k94 h GLU 48 CO -0.22 0.17 0.69 1.49 -0.73 0.00 0.00 179.01 180.41 2k94 h GLU 49 N 0.27 0.27 0.00 1.92 4.57 0.21 -0.50 114.58 121.30 2k94 h GLU 49 Ca 0.72 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.89 2k94 h GLU 49 Cb 1.92 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.45 2k94 h GLU 49 CO -0.46 0.18 -0.17 0.34 -1.18 0.00 0.00 179.01 177.71 2k94 n PHE 50 N -4.48 0.00 -3.40 0.92 -0.00 0.36 -5.05 117.46 105.81 2k94 n PHE 50 Ca 0.24 -0.58 -0.31 0.00 -0.00 0.00 0.00 57.45 56.80 2k94 n PHE 50 Cb 0.94 -0.10 0.03 0.00 -0.00 0.00 0.00 39.48 40.35 2k94 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2k94 n ASP 51 N -0.82 -5.90 -3.72 -2.13 2.03 0.27 -5.00 116.55 101.28 2k94 n ASP 51 Ca 0.09 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.29 2k94 n ASP 51 Cb 0.63 -2.06 -0.06 0.00 -0.72 0.00 0.00 41.12 38.90 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2k94 s THR 52 N -1.52 0.09 0.25 5.18 -1.32 -1.13 -4.96 115.64 112.22 2k94 s THR 52 Ca 0.32 -0.71 -0.12 0.00 -1.21 0.00 0.00 61.69 59.98 2k94 s THR 52 Cb -0.04 -1.09 -0.08 0.00 -1.51 0.00 0.00 72.50 69.78 2k94 s THR 52 CO 0.76 -0.39 0.60 -0.70 -2.21 0.00 0.00 174.62 172.68 2k94 s GLU 53 N -3.21 3.88 -0.26 7.08 2.56 -1.26 -4.50 118.70 122.98 2k94 s GLU 53 Ca -0.00 0.42 -0.02 0.00 0.00 0.00 0.00 54.97 55.36 2k94 s GLU 53 Cb 0.01 -2.62 0.11 0.00 2.00 0.00 0.00 34.13 33.64 2k94 s GLU 53 CO -0.08 0.29 0.23 -1.50 -0.56 0.00 0.00 175.26 173.65 2k94 s ILE 54 N -1.82 -0.30 0.72 -3.70 -1.16 -1.26 -5.07 121.20 108.61 2k94 s ILE 54 Ca 0.48 -0.45 -0.12 0.00 -0.51 0.00 0.00 60.65 60.05 2k94 s ILE 54 Cb -0.11 -0.90 0.18 0.00 0.61 0.00 0.00 42.46 42.24 2k94 s ILE 54 CO 0.20 -0.46 0.71 -0.81 -2.81 0.00 0.00 174.94 171.77 2k94 n PRO 55 N 5.30 -1.95 0.05 3.50 -0.04 -1.26 -4.96 135.00 135.64 2k94 n PRO 55 Ca -0.04 -1.12 -0.09 0.00 -0.04 0.00 0.00 63.50 62.20 2k94 n PRO 55 Cb 0.46 -0.97 -0.13 0.00 -0.04 0.00 0.00 33.50 32.83 2k94 n PRO 55 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2k94 h ASP 56 N -1.82 0.08 0.57 3.54 3.32 -2.01 -3.27 116.42 116.83 2k94 h ASP 56 Ca -0.26 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 2k94 h ASP 56 Cb 0.76 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.29 2k94 h ASP 56 CO 0.17 1.08 -0.27 -0.33 -1.72 0.00 0.00 179.24 178.17 2k94 h GLU 57 N 0.01 -0.73 -1.19 3.56 5.08 -2.04 -2.80 114.58 116.47 2k94 h GLU 57 Ca -0.10 0.05 0.35 0.00 -1.00 0.00 0.00 59.36 58.66 2k94 h GLU 57 Cb 1.86 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 31.23 2k94 h GLU 57 CO 0.13 -0.49 0.98 1.49 -1.00 0.00 0.00 179.01 180.13 2k94 h GLU 58 N -0.97 0.00 -0.86 2.33 4.22 -1.96 0.41 114.58 117.75 2k94 h GLU 58 Ca -0.08 0.00 0.25 0.00 0.08 0.00 0.00 59.36 59.61 2k94 h GLU 58 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2k94 h GLU 58 CO 0.13 0.00 0.90 0.00 -2.18 0.00 0.00 179.01 177.86 2k94 h ALA 59 N 1.15 2.70 -0.90 2.92 0.00 -1.54 -1.68 119.26 121.91 2k94 h ALA 59 Ca 0.57 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.54 2k94 h ALA 59 Cb 2.53 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 20.27 2k94 h ALA 59 CO -0.01 -1.34 -0.49 -1.91 0.00 0.00 0.00 179.25 175.50 2k94 n GLU 60 N -3.53 -0.36 -1.29 0.00 4.07 0.14 0.14 120.64 119.82 2k94 n GLU 60 Ca 0.18 1.36 -0.24 0.00 -0.06 0.00 0.00 57.16 58.40 2k94 n GLU 60 Cb 1.18 -2.00 -0.01 0.00 -0.06 0.00 0.00 31.44 30.55 2k94 n GLU 60 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2k94 n LYS 61 N -5.16 2.22 -2.76 5.31 4.01 -0.63 -4.09 118.16 117.06 2k94 n LYS 61 Ca 0.03 -2.16 -0.02 0.00 -0.51 0.00 0.00 58.31 55.65 2k94 n LYS 61 Cb 0.26 -1.97 0.08 0.00 -0.51 0.00 0.00 35.03 32.89 2k94 n LYS 61 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2k94 n ILE 62 N 0.55 0.71 0.50 -0.18 5.41 0.38 -3.66 119.36 123.07 2k94 n ILE 62 Ca 0.43 -2.16 0.06 0.00 1.00 0.00 0.00 62.75 62.09 2k94 n ILE 62 Cb 0.56 1.13 -0.08 0.00 -0.71 0.00 0.00 39.64 40.54 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 -0.90 0.00 -2.03 1.39 -2.24 -1.24 -4.94 114.28 104.31 2k94 n THR 63 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2k94 n THR 63 Cb 0.83 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 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 -1.41 0.00 0.00 4.28 -2.24 -1.26 -1.79 114.28 111.86 2k94 n THR 64 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2k94 n THR 64 Cb 0.22 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.29 2.28 0.31 -1.26 -4.34 118.33 115.03 2k94 n VAL 65 Ca 0.00 0.13 0.10 0.00 -0.01 0.00 0.00 64.34 64.56 2k94 n VAL 65 Cb 0.00 -0.92 0.21 0.00 -0.91 0.00 0.00 33.84 32.22 2k94 n VAL 65 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2k94 n GLN 66 N -1.51 -0.07 -0.35 5.55 0.00 -1.18 0.58 117.38 120.40 2k94 n GLN 66 Ca 0.00 1.27 -0.03 0.00 -0.00 0.00 0.00 57.00 58.25 2k94 n GLN 66 Cb 0.00 -1.99 0.01 0.00 0.00 0.00 0.00 30.24 28.26 2k94 n GLN 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k94 n ALA 67 N -3.37 -0.21 0.03 1.69 0.00 -1.26 0.60 120.51 117.99 2k94 n ALA 67 Ca 0.18 0.85 -0.12 0.00 0.00 0.00 0.00 53.44 54.35 2k94 n ALA 67 Cb 0.58 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 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 1.06 0.01 -0.83 0.00 0.00 0.07 -2.66 119.26 116.91 2k94 h ALA 68 Ca 0.27 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.34 2k94 h ALA 68 Cb 0.49 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.13 2k94 h ALA 68 CO -0.87 -0.46 -0.08 0.82 0.00 0.00 0.00 179.25 178.67 2k94 h ILE 69 N -0.05 0.21 -0.90 0.00 5.03 0.42 1.11 117.51 123.33 2k94 h ILE 69 Ca 0.00 -0.01 0.03 0.00 -0.12 0.00 0.00 64.86 64.76 2k94 h ILE 69 Cb 0.06 0.16 -0.05 0.00 -3.03 0.00 0.00 36.82 33.97 2k94 h ILE 69 CO -0.00 0.01 0.59 -0.78 -0.68 0.00 0.00 178.15 177.29 2k94 h ASP 70 N 0.04 0.97 -0.06 1.72 1.82 -0.55 1.28 116.42 121.65 2k94 h ASP 70 Ca 0.44 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 57.05 2k94 h ASP 70 Cb 0.77 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 2k94 h ASP 70 CO -0.79 0.67 -0.02 0.22 -1.61 0.00 0.00 179.24 177.71 2k94 h TYR 71 N 1.13 0.14 0.00 0.28 5.03 0.13 -2.73 116.97 120.95 2k94 h TYR 71 Ca 0.35 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.63 2k94 h TYR 71 Cb 0.01 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.25 2k94 h TYR 71 CO -0.00 0.49 0.00 0.82 -1.32 0.00 0.00 178.16 178.14 2k94 h ILE 72 N -0.25 0.00 0.00 1.81 1.08 0.15 0.71 117.51 121.01 2k94 h ILE 72 Ca 0.01 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 2k94 h ILE 72 Cb 0.45 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 2k94 h ILE 72 CO 0.01 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.06 2k94 n ASN 73 N -2.46 0.00 -0.13 1.72 3.02 0.44 -4.68 115.26 113.16 2k94 n ASN 73 Ca 0.03 0.76 0.00 0.00 -0.03 0.00 0.00 54.58 55.34 2k94 n ASN 73 Cb 0.31 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 0.28 -1.89 3.12 7.41 0.00 -1.08 -4.70 105.19 108.33 2k94 n GLY 74 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2k94 n GLY 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k94 n HIS 75 N 0.00 -2.64 -3.21 1.61 -0.00 0.24 -3.81 115.22 107.41 2k94 n HIS 75 Ca 0.00 1.11 -0.31 0.00 -0.00 0.00 0.00 57.72 58.51 2k94 n HIS 75 Cb 0.55 -2.70 0.03 0.00 -0.00 0.00 0.00 29.99 27.87 2k94 n HIS 75 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2k94 n GLN 76 N 0.23 -1.54 -0.04 1.57 1.13 -1.26 -5.03 117.38 112.44 2k94 n GLN 76 Ca 0.01 1.20 0.00 0.00 -1.94 0.00 0.00 57.00 56.26 2k94 n GLN 76 Cb 0.46 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.15 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62