#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 0.22 0.44 -2.24 -1.26 -4.70 114.28 106.74 2k94 n THR 2 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2k94 n THR 2 Cb 0.00 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.26 0.40 0.45 2.28 1.08 -1.96 -2.88 117.51 115.61 2k94 h ILE 3 Ca 0.00 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 2k94 h ILE 3 Cb 0.00 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 2k94 h ILE 3 CO 0.00 0.07 -0.22 1.05 -0.69 0.00 0.00 178.15 178.36 2k94 h GLU 4 N -0.96 -0.58 -1.11 2.37 4.11 -1.93 -1.70 114.58 114.77 2k94 h GLU 4 Ca -0.06 0.04 0.41 0.00 0.07 0.00 0.00 59.36 59.82 2k94 h GLU 4 Cb 0.57 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.82 2k94 h GLU 4 CO 0.10 -0.30 0.67 -1.91 0.07 0.00 0.00 179.01 177.64 2k94 n GLU 5 N -5.28 -0.04 0.04 1.06 4.07 -1.25 0.23 120.64 119.47 2k94 n GLU 5 Ca -0.11 1.17 -0.20 0.00 -0.06 0.00 0.00 57.16 57.97 2k94 n GLU 5 Cb 0.29 -2.23 -0.13 0.00 -0.06 0.00 0.00 31.44 29.31 2k94 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k94 h ARG 6 N 0.00 0.42 -0.73 5.31 3.08 -1.25 -3.25 114.38 117.97 2k94 h ARG 6 Ca 0.78 -0.57 0.09 0.00 0.07 0.00 0.00 59.98 60.35 2k94 h ARG 6 Cb 2.34 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 32.54 2k94 h ARG 6 CO -0.53 1.23 0.48 0.28 -1.07 0.00 0.00 179.97 180.36 2k94 h VAL 7 N -0.11 0.96 -0.18 2.04 2.07 0.38 -2.13 116.25 119.27 2k94 h VAL 7 Ca -0.13 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.22 2k94 h VAL 7 Cb 1.59 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 2k94 h VAL 7 CO 0.16 0.12 -0.30 0.11 0.02 0.00 0.00 177.57 177.68 2k94 h LYS 8 N 0.67 -0.33 0.00 1.57 1.79 -0.62 0.15 116.57 119.79 2k94 h LYS 8 Ca 0.33 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2k94 h LYS 8 Cb 0.41 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2k94 h LYS 8 CO -0.12 -0.22 0.00 1.17 -1.08 0.00 0.00 179.45 179.20 2k94 n LYS 9 N -5.40 0.00 -0.25 3.15 0.00 -0.80 0.38 118.16 115.24 2k94 n LYS 9 Ca -0.02 0.52 -0.01 0.00 0.00 0.00 0.00 58.31 58.80 2k94 n LYS 9 Cb 0.32 -1.02 0.06 0.00 0.00 0.00 0.00 35.03 34.39 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2k94 h ILE 10 N 0.00 0.22 0.00 3.15 2.04 -1.63 0.50 117.51 121.78 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 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 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 -5.47 0.00 -0.34 -0.67 2.08 0.53 0.18 119.36 115.66 2k94 n ILE 11 Ca 0.08 1.05 0.21 0.00 0.56 0.00 0.00 62.75 64.66 2k94 n ILE 11 Cb 0.37 -1.67 0.45 0.00 -0.75 0.00 0.00 39.64 38.05 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 1.70 0.72 7.39 0.00 0.23 -0.96 103.07 112.16 2k94 h GLY 12 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2k94 h GLY 12 CO 0.00 -0.26 -0.46 1.46 0.00 0.00 0.00 176.54 177.28 2k94 h GLN 13 N 0.46 -1.07 -0.99 4.80 7.50 0.14 0.46 115.11 126.41 2k94 h GLN 13 Ca 0.65 0.07 0.35 0.00 0.50 0.00 0.00 58.65 60.22 2k94 h GLN 13 Cb 1.46 0.24 -0.16 0.00 0.05 0.00 0.00 27.48 29.07 2k94 h GLN 13 CO -0.44 -0.71 0.51 1.96 -1.50 0.00 0.00 178.83 178.65 2k94 h GLN 14 N -1.11 0.19 -0.16 1.46 4.20 0.32 1.17 115.11 121.18 2k94 h GLN 14 Ca -0.10 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.39 2k94 h GLN 14 Cb 0.89 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.64 2k94 h GLN 14 CO 0.09 0.12 -0.74 -0.07 -0.67 0.00 0.00 178.83 177.57 2k94 h LEU 15 N 0.19 0.86 0.00 1.46 4.07 -0.98 -3.46 115.31 117.46 2k94 h LEU 15 Ca 0.76 -0.55 0.00 0.00 0.08 0.00 0.00 57.88 58.17 2k94 h LEU 15 Cb 1.81 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 43.30 2k94 h LEU 15 CO -0.68 1.34 0.00 0.61 -1.08 0.00 0.00 178.44 178.63 2k94 n GLY 16 N 0.62 1.31 3.00 0.83 0.00 0.40 -5.11 105.19 106.24 2k94 n GLY 16 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 0.05 0.90 1.61 -7.23 0.51 -4.99 120.40 109.26 2k94 s VAL 17 Ca 0.00 -0.45 -0.14 0.00 -1.81 0.00 0.00 61.98 59.57 2k94 s VAL 17 Cb 0.00 -0.23 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 2k94 s VAL 17 CO 0.00 -0.25 0.19 2.29 -0.31 0.00 0.00 175.10 177.02 2k94 n LYS 18 N 2.20 -0.10 0.26 4.82 2.85 -1.26 -3.18 118.16 123.75 2k94 n LYS 18 Ca -0.18 0.01 0.12 0.00 -1.05 0.00 0.00 58.31 57.20 2k94 n LYS 18 Cb 0.57 -1.67 0.72 0.00 -0.65 0.00 0.00 35.03 34.00 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 -1.16 0.00 -0.31 -1.58 -0.00 -1.85 -1.83 115.11 108.38 2k94 h GLN 19 Ca -0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.12 2k94 h GLN 19 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.77 2k94 h GLN 19 CO 0.34 0.12 -0.18 0.93 -0.00 0.00 0.00 178.83 180.04 2k94 h GLU 20 N 0.00 0.56 -0.43 0.06 5.08 -1.95 -2.89 114.58 115.01 2k94 h GLU 20 Ca -0.00 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2k94 h GLU 20 Cb 0.31 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2k94 h GLU 20 CO 0.02 0.72 0.26 1.49 -1.00 0.00 0.00 179.01 180.49 2k94 h GLU 21 N 0.51 0.51 -6.88 2.33 4.22 -1.65 -3.42 114.58 110.19 2k94 h GLU 21 Ca 0.08 -0.03 -0.55 0.00 0.08 0.00 0.00 59.36 58.94 2k94 h GLU 21 Cb 0.60 -0.11 0.11 0.00 0.50 0.00 0.00 28.75 29.85 2k94 h GLU 21 CO 0.04 0.34 0.69 0.28 -2.18 0.00 0.00 179.01 178.18 2k94 n VAL 22 N -4.84 2.03 -4.44 0.32 0.31 -1.09 -5.01 118.33 105.61 2k94 n VAL 22 Ca 0.02 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.65 2k94 n VAL 22 Cb 0.06 -1.85 -0.15 0.00 -0.91 0.00 0.00 33.84 30.99 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 -1.12 0.83 0.44 2.52 -4.23 -1.26 -5.00 115.64 107.82 2k94 s THR 23 Ca 0.54 -0.43 0.22 0.00 -1.18 0.00 0.00 61.69 60.84 2k94 s THR 23 Cb -0.50 -0.70 0.42 0.00 1.34 0.00 0.00 72.50 73.05 2k94 s THR 23 CO 0.63 0.24 1.82 -1.13 -0.54 0.00 0.00 174.62 175.64 2k94 h ASN 24 N 6.03 0.32 -2.46 3.99 -0.73 -1.97 -1.81 115.58 118.94 2k94 h ASN 24 Ca -0.32 0.05 -0.76 0.00 1.87 0.00 0.00 56.30 57.14 2k94 h ASN 24 Cb 1.17 -0.01 -0.31 0.00 0.27 0.00 0.00 38.32 39.45 2k94 h ASN 24 CO 0.49 0.09 0.59 -3.20 -0.37 0.00 0.00 177.43 175.03 2k94 n ASN 25 N -4.49 6.36 -0.35 1.15 5.15 -1.26 -4.23 115.26 117.60 2k94 n ASN 25 Ca 0.23 -3.58 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 2k94 n ASN 25 Cb 0.88 -1.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.05 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 0.43 0.00 -2.87 5.20 0.00 -0.68 -5.12 120.51 117.47 2k94 n ALA 26 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 2k94 n ALA 26 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.70 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 0.59 -0.09 0.00 0.00 0.15 -1.26 -4.66 113.70 108.44 2k94 s SER 27 Ca 0.00 -0.36 0.25 0.00 0.70 0.00 0.00 55.95 56.54 2k94 s SER 27 Cb 0.00 0.39 0.56 0.00 -1.71 0.00 0.00 66.02 65.26 2k94 s SER 27 CO 0.00 -0.72 1.45 0.49 1.20 0.00 0.00 173.24 175.66 2k94 n PHE 28 N 0.14 0.02 0.00 3.44 3.01 2.95 -2.41 117.46 124.62 2k94 n PHE 28 Ca -0.17 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.30 2k94 n PHE 28 Cb 0.62 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 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 -1.53 0.00 -0.89 -4.37 0.31 -1.26 0.01 118.33 110.61 2k94 n VAL 29 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 2k94 n VAL 29 Cb 0.34 -0.24 -0.04 0.00 -0.91 0.00 0.00 33.84 33.00 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 -2.06 1.68 0.00 5.55 4.71 -1.26 -2.83 120.64 126.43 2k94 n GLU 30 Ca 0.00 -1.05 0.00 0.00 -0.01 0.00 0.00 57.16 56.10 2k94 n GLU 30 Cb 0.00 -1.59 0.00 0.00 -1.01 0.00 0.00 31.44 28.84 2k94 n GLU 30 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2k94 n ASP 31 N 1.29 -0.01 0.09 1.62 -0.08 -1.26 -4.55 116.55 113.64 2k94 n ASP 31 Ca 0.26 0.01 -0.08 0.00 -1.51 0.00 0.00 54.79 53.48 2k94 n ASP 31 Cb 0.62 0.08 -0.02 0.00 2.34 0.00 0.00 41.12 44.15 2k94 n ASP 31 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2k94 h LEU 32 N 0.00 0.18 -1.88 -2.67 -0.00 -1.66 -3.48 115.31 105.79 2k94 h LEU 32 Ca 0.00 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.88 57.65 2k94 h LEU 32 Cb 0.00 -0.06 0.04 0.00 -0.00 0.00 0.00 40.66 40.65 2k94 h LEU 32 CO 0.00 0.98 -0.19 0.61 -0.00 0.00 0.00 178.44 179.83 2k94 n GLY 33 N 0.93 0.25 3.50 0.83 0.00 -1.13 -4.94 105.19 104.63 2k94 n GLY 33 Ca -0.03 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.09 2.98 0.92 4.61 0.00 0.10 -4.93 121.76 122.35 2k94 s ALA 34 Ca 0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 2k94 s ALA 34 Cb -0.00 -4.01 0.15 0.00 0.00 0.00 0.00 23.12 19.26 2k94 s ALA 34 CO 0.18 -2.92 0.34 -0.40 0.00 0.00 0.00 175.76 172.96 2k94 n ASP 35 N 8.35 -2.59 0.00 0.00 5.68 -1.26 -3.83 116.55 122.90 2k94 n ASP 35 Ca -0.00 -0.34 0.09 0.00 -0.50 0.00 0.00 54.79 54.04 2k94 n ASP 35 Cb 0.47 -0.52 0.48 0.00 -1.14 0.00 0.00 41.12 40.41 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 -2.14 0.00 -0.08 -1.12 3.41 -1.26 -0.22 113.62 112.21 2k94 n SER 36 Ca 0.05 -0.09 -0.05 0.00 -0.26 0.00 0.00 58.87 58.53 2k94 n SER 36 Cb 0.24 -0.23 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.23 0.05 -0.05 1.04 4.77 -1.26 -3.75 117.00 116.57 2k94 n LEU 37 Ca 0.10 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 2k94 n LEU 37 Cb 0.13 0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 2k94 n LEU 37 CO 0.13 0.38 -0.87 -0.67 -1.33 0.00 0.00 177.39 175.04 2k94 n ASP 38 N -2.66 1.24 -0.07 -1.43 4.64 -0.92 -3.68 116.55 113.67 2k94 n ASP 38 Ca -0.26 0.18 -0.07 0.00 -1.38 0.00 0.00 54.79 53.26 2k94 n ASP 38 Cb 1.03 -0.14 0.10 0.00 -1.04 0.00 0.00 41.12 41.07 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 0.02 1.27 0.00 5.18 2.02 -0.70 -2.69 112.91 118.01 2k94 h THR 39 Ca -0.43 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.40 2k94 h THR 39 Cb 2.05 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 2k94 h THR 39 CO 0.04 0.45 0.00 0.52 0.37 0.00 0.00 175.52 176.90 2k94 n VAL 40 N -4.10 0.00 -0.66 3.16 0.31 -1.25 -2.84 118.33 112.95 2k94 n VAL 40 Ca -0.00 1.06 0.50 0.00 -0.01 0.00 0.00 64.34 65.88 2k94 n VAL 40 Cb 0.44 -1.97 0.76 0.00 -0.91 0.00 0.00 33.84 32.17 2k94 n VAL 40 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k94 n GLU 41 N -1.48 0.00 0.34 5.55 1.02 -1.24 0.38 120.64 125.20 2k94 n GLU 41 Ca 0.00 1.01 -0.17 0.00 -0.02 0.00 0.00 57.16 57.98 2k94 n GLU 41 Cb 0.00 -2.33 -0.09 0.00 -0.02 0.00 0.00 31.44 29.00 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 -1.15 0.49 -4.62 7.12 -1.32 -0.18 115.31 115.65 2k94 h LEU 42 Ca 0.87 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.93 2k94 h LEU 42 Cb 3.52 0.35 0.00 0.00 -0.53 0.00 0.00 40.66 44.01 2k94 h LEU 42 CO -0.01 -0.64 -0.24 0.58 -0.13 0.00 0.00 178.44 178.00 2k94 h VAL 43 N -1.01 0.37 -0.90 1.05 2.07 0.00 -1.68 116.25 116.15 2k94 h VAL 43 Ca -0.08 -0.44 0.22 0.00 0.82 0.00 0.00 66.70 67.22 2k94 h VAL 43 Cb 0.83 0.51 -0.17 0.00 -1.52 0.00 0.00 31.29 30.95 2k94 h VAL 43 CO 0.04 0.06 -0.07 0.23 0.02 0.00 0.00 177.57 177.85 2k94 n MET 44 N -5.26 -0.07 0.13 1.57 2.81 -0.60 0.55 117.12 116.25 2k94 n MET 44 Ca -0.11 1.37 -0.13 0.00 -1.81 0.00 0.00 57.70 57.02 2k94 n MET 44 Cb 0.31 -2.12 -0.08 0.00 -0.71 0.00 0.00 33.22 30.62 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 1.80 -0.34 -0.25 3.04 0.00 -0.95 -2.81 119.26 119.75 2k94 h ALA 45 Ca 0.51 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.31 2k94 h ALA 45 Cb 0.96 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2k94 h ALA 45 CO -0.87 -0.54 -0.30 -0.07 0.00 0.00 0.00 179.25 177.47 2k94 h LEU 46 N -0.64 -0.96 -0.60 0.00 3.38 0.11 1.13 115.31 117.73 2k94 h LEU 46 Ca -0.03 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.16 2k94 h LEU 46 Cb 0.45 0.43 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 2k94 h LEU 46 CO 0.06 -0.32 -0.54 -0.33 0.09 0.00 0.00 178.44 177.40 2k94 h GLU 47 N -0.31 -0.25 -0.62 1.13 5.08 0.11 0.18 114.58 119.90 2k94 h GLU 47 Ca 0.13 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2k94 h GLU 47 Cb 0.52 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2k94 h GLU 47 CO -0.42 -0.17 0.15 1.49 -1.00 0.00 0.00 179.01 179.06 2k94 h GLU 48 N -0.26 0.98 -0.17 2.33 4.22 -1.11 0.73 114.58 121.31 2k94 h GLU 48 Ca 0.12 -0.22 0.01 0.00 0.08 0.00 0.00 59.36 59.36 2k94 h GLU 48 Cb 0.55 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2k94 h GLU 48 CO -0.71 0.88 -0.10 -1.91 -2.18 0.00 0.00 179.01 174.99 2k94 n GLU 49 N -4.25 -0.07 -0.80 1.92 4.07 0.38 0.45 120.64 122.35 2k94 n GLU 49 Ca 0.05 0.98 -0.02 0.00 -0.06 0.00 0.00 57.16 58.11 2k94 n GLU 49 Cb 0.25 -1.47 0.27 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 -3.31 1.91 -3.55 4.31 7.35 -0.97 -4.95 117.46 118.25 2k94 n PHE 50 Ca 0.00 -0.89 -0.30 0.00 -0.76 0.00 0.00 57.45 55.51 2k94 n PHE 50 Cb 0.04 -0.55 0.02 0.00 0.35 0.00 0.00 39.48 39.35 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 0.09 -5.53 -3.69 -2.13 9.92 0.17 -4.99 116.55 110.38 2k94 n ASP 51 Ca 0.30 -0.41 -0.14 0.00 -0.53 0.00 0.00 54.79 54.01 2k94 n ASP 51 Cb 1.14 -2.09 -0.09 0.00 -0.64 0.00 0.00 41.12 39.44 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2k94 s THR 52 N -2.19 0.01 0.02 -3.53 -1.32 0.24 -4.97 115.64 103.90 2k94 s THR 52 Ca 0.21 -0.05 -0.15 0.00 -1.21 0.00 0.00 61.69 60.49 2k94 s THR 52 Cb -0.03 -0.71 -0.06 0.00 -1.51 0.00 0.00 72.50 70.19 2k94 s THR 52 CO 0.87 -0.03 0.43 -0.70 -2.21 0.00 0.00 174.62 172.99 2k94 s GLU 53 N -0.03 3.95 -0.07 7.08 2.12 -1.26 -4.33 118.70 126.16 2k94 s GLU 53 Ca -0.02 0.45 0.04 0.00 0.36 0.00 0.00 54.97 55.79 2k94 s GLU 53 Cb -0.03 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2k94 s GLU 53 CO 0.02 0.67 -0.18 -1.50 -0.54 0.00 0.00 175.26 173.73 2k94 s ILE 54 N -1.11 1.56 0.85 -3.70 -1.16 -1.26 -5.11 121.20 111.27 2k94 s ILE 54 Ca 0.25 -0.76 -0.14 0.00 -0.51 0.00 0.00 60.65 59.49 2k94 s ILE 54 Cb -0.17 -1.36 0.21 0.00 0.61 0.00 0.00 42.46 41.75 2k94 s ILE 54 CO 0.15 0.45 0.84 -0.81 -2.81 0.00 0.00 174.94 172.75 2k94 n PRO 55 N 3.41 -2.15 0.00 3.50 -0.04 -1.26 -5.00 135.00 133.46 2k94 n PRO 55 Ca -0.20 -1.33 0.05 0.00 -0.04 0.00 0.00 63.50 61.99 2k94 n PRO 55 Cb 0.52 -1.14 0.03 0.00 -0.04 0.00 0.00 33.50 32.87 2k94 n PRO 55 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2k94 n ASP 56 N -4.17 1.68 -0.05 3.54 9.92 -1.26 -3.94 116.55 122.27 2k94 n ASP 56 Ca 0.11 -1.34 -0.15 0.00 -0.53 0.00 0.00 54.79 52.88 2k94 n ASP 56 Cb 0.43 0.15 -0.14 0.00 -0.64 0.00 0.00 41.12 40.91 2k94 n ASP 56 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k94 n GLU 57 N 0.34 0.69 -0.31 -1.24 1.02 -1.26 -4.17 120.64 115.71 2k94 n GLU 57 Ca 0.06 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.51 2k94 n GLU 57 Cb 0.25 -1.66 0.28 0.00 -0.02 0.00 0.00 31.44 30.29 2k94 n GLU 57 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k94 n GLU 58 N -3.20 2.67 0.08 3.49 -0.58 -1.26 -4.22 120.64 117.62 2k94 n GLU 58 Ca -0.31 -2.50 0.12 0.00 -0.42 0.00 0.00 57.16 54.05 2k94 n GLU 58 Cb 1.05 -1.52 0.46 0.00 -0.57 0.00 0.00 31.44 30.86 2k94 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k94 n ALA 59 N 1.48 2.01 0.04 0.62 0.00 -1.25 -3.16 120.51 120.25 2k94 n ALA 59 Ca 0.22 -0.01 0.22 0.00 0.00 0.00 0.00 53.44 53.87 2k94 n ALA 59 Cb 0.59 -1.41 0.73 0.00 0.00 0.00 0.00 19.45 19.36 2k94 n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k94 h GLU 60 N 0.00 0.00 -1.77 0.00 4.81 -1.83 -0.09 114.58 115.70 2k94 h GLU 60 Ca 0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 2k94 h GLU 60 Cb 0.51 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.69 2k94 h GLU 60 CO 0.00 0.00 0.59 1.63 -0.73 0.00 0.00 179.01 180.50 2k94 n LYS 61 N -3.82 2.37 -2.75 1.92 5.02 -1.19 -4.13 118.16 115.58 2k94 n LYS 61 Ca 0.09 -2.52 -0.01 0.00 -2.02 0.00 0.00 58.31 53.85 2k94 n LYS 61 Cb 0.69 -2.07 0.09 0.00 -0.02 0.00 0.00 35.03 33.72 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 0.26 0.61 0.22 -0.18 5.41 -0.05 -3.52 119.36 122.10 2k94 n ILE 62 Ca 0.47 -1.95 0.10 0.00 1.00 0.00 0.00 62.75 62.37 2k94 n ILE 62 Cb 0.51 1.13 -0.14 0.00 -0.71 0.00 0.00 39.64 40.43 2k94 n ILE 62 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k94 n THR 63 N -1.04 0.00 -4.24 1.39 5.66 -1.26 -4.83 114.28 109.95 2k94 n THR 63 Ca -0.05 -0.34 -0.13 0.00 -3.05 0.00 0.00 64.05 60.47 2k94 n THR 63 Cb 0.84 0.30 -0.04 0.00 -1.55 0.00 0.00 70.33 69.88 2k94 n THR 63 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2k94 n THR 64 N -1.99 0.00 0.00 1.09 -2.24 -1.26 0.65 114.28 110.53 2k94 n THR 64 Ca -0.02 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.48 2k94 n THR 64 Cb 0.45 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.46 0.00 -0.35 2.28 0.31 -1.26 -2.48 118.33 116.36 2k94 n VAL 65 Ca -0.02 1.19 0.03 0.00 -0.01 0.00 0.00 64.34 65.53 2k94 n VAL 65 Cb 0.33 -2.15 0.09 0.00 -0.91 0.00 0.00 33.84 31.19 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 -1.33 -0.15 -0.35 5.55 0.00 -1.26 0.74 117.38 120.58 2k94 n GLN 66 Ca 0.00 1.47 0.01 0.00 -0.00 0.00 0.00 57.00 58.48 2k94 n GLN 66 Cb 0.00 -2.19 0.07 0.00 0.00 0.00 0.00 30.24 28.12 2k94 n GLN 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k94 h ALA 67 N 1.63 0.33 0.55 1.69 0.00 -1.78 0.16 119.26 121.84 2k94 h ALA 67 Ca 0.40 0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.59 2k94 h ALA 67 Cb 0.64 0.87 0.01 0.00 0.00 0.00 0.00 17.79 19.30 2k94 h ALA 67 CO -0.96 -0.53 -0.26 0.00 0.00 0.00 0.00 179.25 177.49 2k94 h ALA 68 N 1.58 -0.74 -1.33 0.00 0.00 0.64 -2.26 119.26 117.14 2k94 h ALA 68 Ca 0.38 -0.18 0.42 0.00 0.00 0.00 0.00 54.91 55.53 2k94 h ALA 68 Cb 0.63 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 2k94 h ALA 68 CO -0.96 -0.88 0.88 0.82 0.00 0.00 0.00 179.25 179.11 2k94 h ILE 69 N -0.81 0.20 -0.24 0.00 2.04 -0.02 0.97 117.51 119.64 2k94 h ILE 69 Ca -0.08 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2k94 h ILE 69 Cb 0.60 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2k94 h ILE 69 CO 0.12 0.02 0.10 -0.78 0.00 0.00 0.00 178.15 177.61 2k94 h ASP 70 N 0.12 0.32 -0.52 1.72 1.82 -0.24 1.39 116.42 121.03 2k94 h ASP 70 Ca 0.78 -0.16 -0.06 0.00 -0.39 0.00 0.00 57.03 57.20 2k94 h ASP 70 Cb 2.51 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 42.41 2k94 h ASP 70 CO -0.32 0.39 0.12 0.22 -1.61 0.00 0.00 179.24 178.04 2k94 h TYR 71 N 0.23 0.92 0.00 0.28 3.20 0.10 -1.53 116.97 120.18 2k94 h TYR 71 Ca 0.08 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2k94 h TYR 71 Cb 0.17 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2k94 h TYR 71 CO -0.01 0.78 -0.23 -0.89 -1.64 0.00 0.00 178.16 176.17 2k94 n ILE 72 N -4.26 0.28 0.02 1.81 2.08 -0.30 -1.56 119.36 117.43 2k94 n ILE 72 Ca 0.04 -0.16 -0.01 0.00 0.56 0.00 0.00 62.75 63.18 2k94 n ILE 72 Cb 0.24 -0.32 -0.00 0.00 -0.75 0.00 0.00 39.64 38.81 2k94 n ILE 72 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2k94 h ASN 73 N 0.00 -0.05 0.00 4.38 2.35 0.29 -3.43 115.58 119.11 2k94 h ASN 73 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k94 h ASN 73 Cb 0.64 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2k94 h ASN 73 CO 0.00 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 2k94 n GLY 74 N 0.95 -1.38 2.81 2.83 0.00 -1.00 -5.07 105.19 104.33 2k94 n GLY 74 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.07 -2.84 -0.64 1.61 -0.00 -0.60 -4.73 115.22 107.94 2k94 n HIS 75 Ca 0.00 1.52 0.00 0.00 -0.00 0.00 0.00 57.72 59.24 2k94 n HIS 75 Cb 0.40 -2.94 0.00 0.00 -0.00 0.00 0.00 29.99 27.45 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 1.62 0.00 -0.05 1.57 1.13 -1.26 -5.02 117.38 115.36 2k94 n GLN 76 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 2k94 n GLN 76 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.69 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62