#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 0.32 0.44 -2.24 -1.26 -4.64 114.28 106.90 2k94 n THR 2 Ca 0.00 -0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 2k94 n THR 2 Cb 0.00 -0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.23 0.30 -0.03 2.28 1.08 -1.95 -1.94 117.51 115.02 2k94 h ILE 3 Ca -0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2k94 h ILE 3 Cb 0.51 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.55 2k94 h ILE 3 CO 0.10 0.00 0.01 1.05 -0.69 0.00 0.00 178.15 178.63 2k94 h GLU 4 N -0.85 0.03 -1.03 2.37 4.11 -1.92 -1.19 114.58 116.09 2k94 h GLU 4 Ca -0.07 -0.00 0.34 0.00 0.07 0.00 0.00 59.36 59.70 2k94 h GLU 4 Cb 0.69 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.79 2k94 h GLU 4 CO 0.07 0.02 0.60 1.49 0.07 0.00 0.00 179.01 181.26 2k94 h GLU 5 N 0.03 0.26 0.02 1.06 4.22 -1.85 1.76 114.58 120.08 2k94 h GLU 5 Ca 0.01 -0.02 -0.21 0.00 0.08 0.00 0.00 59.36 59.23 2k94 h GLU 5 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2k94 h GLU 5 CO -0.01 0.17 -0.94 -0.09 -2.18 0.00 0.00 179.01 175.96 2k94 h ARG 6 N 0.27 0.14 -0.08 1.92 2.43 -0.62 -3.23 114.38 115.21 2k94 h ARG 6 Ca 0.75 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 59.65 2k94 h ARG 6 Cb 1.83 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 2k94 h ARG 6 CO -0.59 0.97 -0.33 0.28 -1.51 0.00 0.00 179.97 178.79 2k94 h VAL 7 N 0.07 1.41 -0.87 0.20 2.07 0.32 -3.20 116.25 116.25 2k94 h VAL 7 Ca -0.04 -1.72 0.21 0.00 0.82 0.00 0.00 66.70 65.97 2k94 h VAL 7 Cb 1.60 2.28 -0.12 0.00 -1.52 0.00 0.00 31.29 33.53 2k94 h VAL 7 CO 0.14 0.50 0.34 0.11 0.02 0.00 0.00 177.57 178.67 2k94 h LYS 8 N -0.11 0.34 0.00 1.57 6.56 0.14 0.56 116.57 125.63 2k94 h LYS 8 Ca -0.02 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2k94 h LYS 8 Cb 0.98 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2k94 h LYS 8 CO 0.07 0.23 0.00 1.17 -2.06 0.00 0.00 179.45 178.86 2k94 n LYS 9 N -5.09 0.00 -0.48 3.15 0.00 -1.21 0.36 118.16 114.90 2k94 n LYS 9 Ca 0.21 0.13 0.40 0.00 0.00 0.00 0.00 58.31 59.05 2k94 n LYS 9 Cb 0.62 -0.78 0.68 0.00 0.00 0.00 0.00 35.03 35.56 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 0.05 0.00 3.15 2.04 -1.63 0.71 117.51 121.83 2k94 h ILE 10 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2k94 h ILE 10 Cb 0.00 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 2k94 h ILE 10 CO 0.00 0.01 0.00 -0.38 0.00 0.00 0.00 178.15 177.78 2k94 n ILE 11 N -4.67 0.00 -0.15 -0.67 2.08 0.18 -1.32 119.36 114.80 2k94 n ILE 11 Ca 0.40 0.96 0.28 0.00 0.56 0.00 0.00 62.75 64.94 2k94 n ILE 11 Cb 1.55 -1.96 0.72 0.00 -0.75 0.00 0.00 39.64 39.21 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 0.00 0.26 7.39 0.00 0.64 -2.11 103.07 109.25 2k94 h GLY 12 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k94 h GLY 12 CO 0.00 0.00 -0.20 1.46 0.00 0.00 0.00 176.54 177.80 2k94 h GLN 13 N 0.00 -0.43 -0.92 4.80 7.50 0.49 0.55 115.11 127.11 2k94 h GLN 13 Ca 0.40 0.03 0.14 0.00 0.50 0.00 0.00 58.65 59.72 2k94 h GLN 13 Cb 1.67 0.10 -0.15 0.00 0.05 0.00 0.00 27.48 29.15 2k94 h GLN 13 CO -0.00 -0.28 -0.37 1.04 -1.50 0.00 0.00 178.83 177.72 2k94 n GLN 14 N -3.53 -0.22 -0.06 1.46 6.02 -0.44 0.10 117.38 120.71 2k94 n GLN 14 Ca -0.05 1.41 -0.09 0.00 -0.01 0.00 0.00 57.00 58.25 2k94 n GLN 14 Cb 0.19 -2.09 -0.02 0.00 1.02 0.00 0.00 30.24 29.34 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 0.24 0.00 1.08 7.12 -1.48 -3.47 115.31 118.81 2k94 h LEU 15 Ca 0.31 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.32 2k94 h LEU 15 Cb 0.54 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 2k94 h LEU 15 CO -0.91 0.18 0.00 0.61 -0.13 0.00 0.00 178.44 178.19 2k94 n GLY 16 N -1.17 0.91 3.18 3.75 0.00 0.28 -5.12 105.19 107.02 2k94 n GLY 16 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.28 0.07 0.67 1.61 -7.23 0.74 -4.99 120.40 110.98 2k94 s VAL 17 Ca 0.00 -0.54 -0.17 0.00 -1.81 0.00 0.00 61.98 59.46 2k94 s VAL 17 Cb 0.00 -0.53 -0.00 0.00 0.56 0.00 0.00 36.38 36.41 2k94 s VAL 17 CO 0.00 -0.30 1.21 2.29 -0.31 0.00 0.00 175.10 177.99 2k94 n LYS 18 N 1.42 0.92 0.32 4.82 0.00 -1.26 -3.40 118.16 120.97 2k94 n LYS 18 Ca -0.22 0.37 0.20 0.00 -0.00 0.00 0.00 58.31 58.67 2k94 n LYS 18 Cb 0.56 -2.45 1.09 0.00 -0.00 0.00 0.00 35.03 34.23 2k94 n LYS 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 2k94 h GLN 19 N 0.28 0.00 0.00 -1.58 -0.00 -1.87 0.25 115.11 112.18 2k94 h GLN 19 Ca -0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.09 2k94 h GLN 19 Cb 1.34 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.81 2k94 h GLN 19 CO 0.51 0.00 -0.31 1.49 -0.00 0.00 0.00 178.83 180.52 2k94 h GLU 20 N 0.00 0.00 -0.31 0.06 4.81 -1.94 -3.00 114.58 114.20 2k94 h GLU 20 Ca 0.01 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 2k94 h GLU 20 Cb 0.15 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2k94 h GLU 20 CO -0.00 0.31 -0.47 1.49 -0.73 0.00 0.00 179.01 179.61 2k94 h GLU 21 N 0.00 0.83 -6.30 1.92 4.22 -0.83 -3.41 114.58 111.01 2k94 h GLU 21 Ca -0.00 -0.48 -0.58 0.00 0.08 0.00 0.00 59.36 58.38 2k94 h GLU 21 Cb 0.87 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2k94 h GLU 21 CO 0.04 1.11 1.25 0.08 -2.18 0.00 0.00 179.01 179.31 2k94 s VAL 22 N -4.23 3.53 0.51 0.32 1.01 -1.14 -4.98 120.40 115.42 2k94 s VAL 22 Ca -0.10 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2k94 s VAL 22 Cb 0.11 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.81 2k94 s VAL 22 CO 0.87 -0.44 0.73 0.42 0.00 0.00 0.00 175.10 176.69 2k94 s THR 23 N 6.60 3.18 -1.67 3.92 -4.23 -1.26 -4.93 115.64 117.25 2k94 s THR 23 Ca 0.78 -0.60 0.30 0.00 -1.18 0.00 0.00 61.69 60.99 2k94 s THR 23 Cb -0.22 -3.19 0.60 0.00 1.34 0.00 0.00 72.50 71.03 2k94 s THR 23 CO 0.33 -0.13 2.03 -3.20 -0.54 0.00 0.00 174.62 173.11 2k94 n ASN 24 N -2.24 0.20 -3.34 3.99 2.85 -1.26 -3.53 115.26 111.93 2k94 n ASN 24 Ca 0.05 -0.53 -0.25 0.00 -0.11 0.00 0.00 54.58 53.74 2k94 n ASN 24 Cb 0.59 -0.14 -0.09 0.00 1.24 0.00 0.00 39.78 41.38 2k94 n ASN 24 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2k94 s ASN 25 N -2.38 1.24 0.00 1.20 2.20 -1.26 -4.59 114.94 111.35 2k94 s ASN 25 Ca 0.34 -2.85 0.00 0.00 -0.94 0.00 0.00 52.86 49.40 2k94 s ASN 25 Cb 0.21 -0.19 0.00 0.00 -2.00 0.00 0.00 41.25 39.26 2k94 s ASN 25 CO 0.44 -0.17 0.00 0.00 -2.94 0.00 0.00 177.10 174.43 2k94 n ALA 26 N 2.97 0.00 -3.15 3.54 0.00 -1.26 -5.09 120.51 117.52 2k94 n ALA 26 Ca 0.27 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.75 2k94 n ALA 26 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 1.10 -1.40 0.00 0.00 0.15 -1.26 -4.74 113.70 107.55 2k94 s SER 27 Ca 0.00 0.19 0.16 0.00 0.70 0.00 0.00 55.95 57.00 2k94 s SER 27 Cb 0.00 1.90 0.85 0.00 -1.71 0.00 0.00 66.02 67.06 2k94 s SER 27 CO 0.00 -0.26 1.44 0.33 1.20 0.00 0.00 173.24 175.95 2k94 n PHE 28 N 5.37 0.00 0.03 3.44 7.35 1.12 0.99 117.46 135.76 2k94 n PHE 28 Ca 0.05 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.57 2k94 n PHE 28 Cb 0.55 -0.21 -0.14 0.00 0.35 0.00 0.00 39.48 40.03 2k94 n PHE 28 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2k94 h VAL 29 N 0.00 0.93 0.00 -2.13 2.07 -1.46 0.65 116.25 116.31 2k94 h VAL 29 Ca 0.00 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.89 2k94 h VAL 29 Cb 0.11 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2k94 h VAL 29 CO 0.00 0.78 -0.26 -0.62 0.02 0.00 0.00 177.57 177.49 2k94 n GLU 30 N -3.40 0.00 -0.26 1.57 -0.58 -0.93 -4.14 120.64 112.89 2k94 n GLU 30 Ca -0.21 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.46 2k94 n GLU 30 Cb 1.05 -0.42 -0.06 0.00 -0.57 0.00 0.00 31.44 31.44 2k94 n GLU 30 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2k94 n ASP 31 N -3.32 -0.66 -0.09 1.62 2.03 0.28 -2.82 116.55 113.59 2k94 n ASP 31 Ca 0.00 1.44 -0.18 0.00 0.52 0.00 0.00 54.79 56.57 2k94 n ASP 31 Cb 0.13 -0.30 -0.12 0.00 -0.72 0.00 0.00 41.12 40.11 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 -0.22 -2.67 -0.00 -1.63 -3.49 115.31 107.29 2k94 h LEU 32 Ca 0.10 -0.71 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 2k94 h LEU 32 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 2k94 h LEU 32 CO -0.59 1.25 0.00 0.61 -0.00 0.00 0.00 178.44 179.71 2k94 n GLY 33 N 1.52 0.91 3.40 0.83 0.00 -1.11 -5.02 105.19 105.73 2k94 n GLY 33 Ca -0.21 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.07 3.38 1.07 4.61 0.00 0.22 -4.99 121.76 123.97 2k94 s ALA 34 Ca 0.00 -2.29 -0.13 0.00 0.00 0.00 0.00 51.96 49.54 2k94 s ALA 34 Cb 0.00 -3.69 0.21 0.00 0.00 0.00 0.00 23.12 19.64 2k94 s ALA 34 CO 0.00 -2.55 0.47 -0.40 0.00 0.00 0.00 175.76 173.29 2k94 n ASP 35 N 6.56 -3.08 0.00 0.00 5.68 -1.26 -4.26 116.55 120.18 2k94 n ASP 35 Ca -0.02 -0.48 0.07 0.00 -0.50 0.00 0.00 54.79 53.87 2k94 n ASP 35 Cb 0.44 -0.68 0.34 0.00 -1.14 0.00 0.00 41.12 40.09 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 -2.78 0.00 0.01 -1.12 3.41 -1.26 -1.40 113.62 110.48 2k94 n SER 36 Ca 0.08 0.33 0.04 0.00 -0.26 0.00 0.00 58.87 59.05 2k94 n SER 36 Cb 0.33 -0.42 -0.11 0.00 -0.26 0.00 0.00 64.21 63.75 2k94 n SER 36 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2k94 n LEU 37 N -1.42 0.42 -0.02 1.04 -0.00 -1.26 -3.56 117.00 112.21 2k94 n LEU 37 Ca 0.05 0.18 -0.11 0.00 -0.00 0.00 0.00 56.01 56.13 2k94 n LEU 37 Cb 0.15 0.11 -0.14 0.00 -0.00 0.00 0.00 43.42 43.54 2k94 n LEU 37 CO 0.13 0.10 -0.58 -0.67 -0.00 0.00 0.00 177.39 176.37 2k94 n ASP 38 N -2.62 1.11 -0.12 1.96 -0.08 -0.75 -3.57 116.55 112.48 2k94 n ASP 38 Ca -0.10 0.37 -0.13 0.00 -1.51 0.00 0.00 54.79 53.42 2k94 n ASP 38 Cb 0.76 -0.21 -0.03 0.00 2.34 0.00 0.00 41.12 43.98 2k94 n ASP 38 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2k94 h THR 39 N 0.01 1.28 0.00 5.18 2.02 -1.40 -2.86 112.91 117.14 2k94 h THR 39 Ca -0.31 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.38 2k94 h THR 39 Cb 2.02 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2k94 h THR 39 CO 0.08 0.49 0.00 0.52 0.37 0.00 0.00 175.52 176.99 2k94 n VAL 40 N -4.14 0.00 -0.61 3.16 0.31 -1.23 -1.97 118.33 113.84 2k94 n VAL 40 Ca -0.02 1.33 0.48 0.00 -0.01 0.00 0.00 64.34 66.12 2k94 n VAL 40 Cb 0.50 -2.32 0.73 0.00 -0.91 0.00 0.00 33.84 31.85 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 -1.69 0.00 0.23 5.55 1.02 -1.23 0.23 120.64 124.74 2k94 n GLU 41 Ca 0.00 1.03 -0.09 0.00 -0.02 0.00 0.00 57.16 58.08 2k94 n GLU 41 Cb 0.00 -2.40 -0.04 0.00 -0.02 0.00 0.00 31.44 28.98 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 -0.50 -0.11 -4.62 6.46 -1.22 -1.22 115.31 114.09 2k94 h LEU 42 Ca 0.84 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.61 2k94 h LEU 42 Cb 3.51 0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 43.56 2k94 h LEU 42 CO -0.01 -0.26 0.04 1.62 -0.62 0.00 0.00 178.44 179.20 2k94 h VAL 43 N -0.79 1.17 -0.62 1.05 3.04 0.38 -0.59 116.25 119.89 2k94 h VAL 43 Ca -0.06 -0.51 0.12 0.00 -1.01 0.00 0.00 66.70 65.24 2k94 h VAL 43 Cb 0.46 1.30 -0.12 0.00 -2.01 0.00 0.00 31.29 30.92 2k94 h VAL 43 CO 0.10 0.15 -0.17 -0.03 -1.01 0.00 0.00 177.57 176.61 2k94 h MET 44 N 0.00 -0.02 0.44 4.17 -1.53 -0.32 0.53 114.93 118.21 2k94 h MET 44 Ca 0.04 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.28 2k94 h MET 44 Cb 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 2k94 h MET 44 CO -0.00 -0.01 -0.21 0.00 0.14 0.00 0.00 176.91 176.83 2k94 h ALA 45 N 1.57 -0.59 -0.93 0.39 0.00 -1.05 -3.06 119.26 115.60 2k94 h ALA 45 Ca 0.29 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.21 2k94 h ALA 45 Cb 0.47 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 18.31 2k94 h ALA 45 CO -0.64 -0.73 -0.27 -0.07 0.00 0.00 0.00 179.25 177.54 2k94 h LEU 46 N -0.79 -0.98 -0.70 0.00 4.07 -0.13 0.47 115.31 117.24 2k94 h LEU 46 Ca -0.06 0.28 0.11 0.00 0.08 0.00 0.00 57.88 58.29 2k94 h LEU 46 Cb 0.55 0.61 -0.12 0.00 1.08 0.00 0.00 40.66 42.77 2k94 h LEU 46 CO 0.10 -0.30 -0.40 -0.33 -1.08 0.00 0.00 178.44 176.43 2k94 h GLU 47 N -0.01 -0.14 -0.38 1.13 5.08 -0.83 0.30 114.58 119.75 2k94 h GLU 47 Ca 0.42 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.68 2k94 h GLU 47 Cb 0.66 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2k94 h GLU 47 CO -0.95 -0.09 -0.23 1.49 -1.00 0.00 0.00 179.01 178.23 2k94 h GLU 48 N -0.14 0.75 -0.96 2.33 4.81 -0.38 1.30 114.58 122.29 2k94 h GLU 48 Ca 0.24 -0.30 0.40 0.00 -0.13 0.00 0.00 59.36 59.56 2k94 h GLU 48 Cb 0.56 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.73 2k94 h GLU 48 CO -0.77 0.91 0.50 -1.91 -0.73 0.00 0.00 179.01 177.01 2k94 n GLU 49 N -4.11 -0.06 -1.01 1.92 2.13 0.12 -0.42 120.64 119.21 2k94 n GLU 49 Ca 0.00 1.33 0.04 0.00 0.66 0.00 0.00 57.16 59.19 2k94 n GLU 49 Cb 0.43 -2.38 0.07 0.00 0.27 0.00 0.00 31.44 29.84 2k94 n GLU 49 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k94 n PHE 50 N -5.18 0.00 -3.53 4.31 -0.00 -1.02 -5.04 117.46 107.00 2k94 n PHE 50 Ca 0.36 -0.70 -0.31 0.00 -0.00 0.00 0.00 57.45 56.79 2k94 n PHE 50 Cb 1.22 -0.16 0.02 0.00 -0.00 0.00 0.00 39.48 40.56 2k94 n PHE 50 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2k94 n ASP 51 N -0.12 -5.56 -3.72 -2.13 9.92 0.11 -4.99 116.55 110.06 2k94 n ASP 51 Ca 0.09 -0.36 -0.12 0.00 -0.53 0.00 0.00 54.79 53.88 2k94 n ASP 51 Cb 0.93 -2.07 -0.11 0.00 -0.64 0.00 0.00 41.12 39.23 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 -2.08 -0.02 0.12 -3.53 -1.32 0.41 -4.96 115.64 104.25 2k94 s THR 52 Ca 0.24 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.49 2k94 s THR 52 Cb -0.03 -0.56 -0.06 0.00 -1.51 0.00 0.00 72.50 70.34 2k94 s THR 52 CO 0.87 0.03 0.93 -0.70 -2.21 0.00 0.00 174.62 173.54 2k94 s GLU 53 N 0.95 4.69 -0.19 7.08 2.12 -1.26 -4.20 118.70 127.88 2k94 s GLU 53 Ca -0.06 1.40 -0.04 0.00 0.36 0.00 0.00 54.97 56.63 2k94 s GLU 53 Cb -0.07 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 2k94 s GLU 53 CO -0.07 0.26 -0.02 -1.50 -0.54 0.00 0.00 175.26 173.39 2k94 s ILE 54 N -0.15 3.87 0.76 -3.70 -1.16 -1.26 -5.08 121.20 114.48 2k94 s ILE 54 Ca 0.45 -0.35 -0.13 0.00 -0.51 0.00 0.00 60.65 60.11 2k94 s ILE 54 Cb -0.23 -2.73 0.19 0.00 0.61 0.00 0.00 42.46 40.29 2k94 s ILE 54 CO 0.29 0.45 0.75 -0.81 -2.81 0.00 0.00 174.94 172.81 2k94 n PRO 55 N 4.08 -2.01 -0.00 3.50 -0.04 -1.26 -4.99 135.00 134.28 2k94 n PRO 55 Ca -0.17 -1.19 0.10 0.00 -0.04 0.00 0.00 63.50 62.20 2k94 n PRO 55 Cb 0.52 -1.02 -0.13 0.00 -0.04 0.00 0.00 33.50 32.82 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 -4.05 0.65 0.02 3.54 8.00 -1.26 -3.94 116.55 119.51 2k94 n ASP 56 Ca 0.10 -0.65 -0.01 0.00 0.71 0.00 0.00 54.79 54.94 2k94 n ASP 56 Cb 0.38 1.34 -0.01 0.00 -0.02 0.00 0.00 41.12 42.81 2k94 n ASP 56 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2k94 h GLU 57 N 0.00 -0.07 -0.61 -1.24 5.08 -2.05 -3.31 114.58 112.38 2k94 h GLU 57 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.54 2k94 h GLU 57 Cb 0.67 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2k94 h GLU 57 CO 0.00 -0.05 0.44 1.05 -1.00 0.00 0.00 179.01 179.45 2k94 h GLU 58 N -0.33 0.01 -3.70 2.33 4.11 -1.99 -3.16 114.58 111.85 2k94 h GLU 58 Ca -0.01 -0.00 -0.39 0.00 0.07 0.00 0.00 59.36 59.03 2k94 h GLU 58 Cb 0.06 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.33 2k94 h GLU 58 CO 0.01 0.01 2.37 0.00 0.07 0.00 0.00 179.01 181.47 2k94 n ALA 59 N -2.65 4.01 0.00 1.06 0.00 -1.25 -3.19 120.51 118.49 2k94 n ALA 59 Ca 0.12 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.53 2k94 n ALA 59 Cb 0.67 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 17.06 2k94 n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k94 n GLU 60 N 4.84 0.00 0.00 0.00 1.02 -1.20 -4.81 120.64 120.50 2k94 n GLU 60 Ca 0.41 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.66 2k94 n GLU 60 Cb 0.17 -0.16 0.56 0.00 -0.02 0.00 0.00 31.44 31.99 2k94 n GLU 60 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k94 n LYS 61 N -2.16 0.27 -0.92 3.49 5.02 -1.19 -4.01 118.16 118.65 2k94 n LYS 61 Ca 0.00 0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 2k94 n LYS 61 Cb 0.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.32 2.84 0.62 -0.18 5.41 -1.26 -3.90 119.36 121.56 2k94 n ILE 62 Ca 0.10 -1.51 0.07 0.00 1.00 0.00 0.00 62.75 62.40 2k94 n ILE 62 Cb 0.19 -2.06 0.01 0.00 -0.71 0.00 0.00 39.64 37.07 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 2.90 0.00 -1.77 1.39 5.66 -1.26 -4.96 114.28 116.25 2k94 n THR 63 Ca 0.44 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2k94 n THR 63 Cb 0.62 1.18 0.00 0.00 -1.55 0.00 0.00 70.33 70.59 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 -0.04 0.00 0.00 1.09 -2.24 -1.25 0.36 114.28 112.20 2k94 n THR 64 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2k94 n THR 64 Cb 0.30 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.22 2.28 0.31 -1.26 -4.38 118.33 115.06 2k94 n VAL 65 Ca 0.00 0.25 0.17 0.00 -0.01 0.00 0.00 64.34 64.75 2k94 n VAL 65 Cb 0.00 -1.16 0.33 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.86 -0.05 -0.25 5.55 0.00 -1.23 0.14 117.38 119.68 2k94 n GLN 66 Ca 0.00 0.97 -0.06 0.00 -0.00 0.00 0.00 57.00 57.90 2k94 n GLN 66 Cb 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 30.24 28.57 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 1.36 -0.17 -0.66 1.69 0.00 -1.81 1.12 119.26 120.79 2k94 h ALA 67 Ca 0.51 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.68 2k94 h ALA 67 Cb 1.27 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 2k94 h ALA 67 CO -0.57 -0.76 0.44 0.00 0.00 0.00 0.00 179.25 178.37 2k94 h ALA 68 N 0.86 1.94 0.02 0.00 0.00 0.10 0.42 119.26 122.60 2k94 h ALA 68 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2k94 h ALA 68 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k94 h ALA 68 CO -0.76 -0.09 -0.01 0.82 0.00 0.00 0.00 179.25 179.22 2k94 h ILE 69 N 0.51 1.35 0.00 0.00 5.03 0.11 -1.59 117.51 122.91 2k94 h ILE 69 Ca 0.31 -1.12 -0.00 0.00 -0.12 0.00 0.00 64.86 63.93 2k94 h ILE 69 Cb 0.52 2.10 -0.00 0.00 -3.03 0.00 0.00 36.82 36.41 2k94 h ILE 69 CO -0.10 0.29 -0.01 -0.78 -0.68 0.00 0.00 178.15 176.87 2k94 h ASP 70 N -0.50 0.00 0.20 1.72 1.82 0.10 0.79 116.42 120.54 2k94 h ASP 70 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2k94 h ASP 70 Cb 0.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.50 2k94 h ASP 70 CO 0.00 0.01 -0.09 0.22 -1.61 0.00 0.00 179.24 177.76 2k94 h TYR 71 N 0.00 -0.25 0.00 0.28 3.20 -0.74 -3.28 116.97 116.19 2k94 h TYR 71 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2k94 h TYR 71 Cb 0.02 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 2k94 h TYR 71 CO 0.00 -0.05 -0.05 0.82 -1.64 0.00 0.00 178.16 177.24 2k94 h ILE 72 N -1.04 0.17 0.03 1.81 1.08 -1.00 -1.02 117.51 117.54 2k94 h ILE 72 Ca -0.03 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 2k94 h ILE 72 Cb 0.31 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 2k94 h ILE 72 CO 0.04 0.05 -0.12 -1.13 -0.69 0.00 0.00 178.15 176.30 2k94 h ASN 73 N 0.00 -0.37 0.00 1.72 -0.00 0.54 -3.42 115.58 114.05 2k94 h ASN 73 Ca -0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 56.30 56.29 2k94 h ASN 73 Cb 0.41 0.14 -0.05 0.00 -0.00 0.00 0.00 38.32 38.82 2k94 h ASN 73 CO 0.01 -0.13 -0.12 0.61 -0.00 0.00 0.00 177.43 177.80 2k94 n GLY 74 N -1.11 0.58 2.90 1.57 0.00 -1.22 -5.01 105.19 102.90 2k94 n GLY 74 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 3.67 -0.07 1.61 -0.00 -0.39 -4.58 115.22 115.46 2k94 n HIS 75 Ca -0.11 -2.94 -0.06 0.00 0.46 0.00 0.00 57.72 55.07 2k94 n HIS 75 Cb 0.51 -2.47 -0.02 0.00 -0.12 0.00 0.00 29.99 27.90 2k94 n HIS 75 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2k94 n GLN 76 N 6.11 0.41 0.00 1.57 1.13 -1.26 -4.87 117.38 120.46 2k94 n GLN 76 Ca 0.49 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.89 2k94 n GLN 76 Cb 0.40 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.33 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62