#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 -0.19 6.66 -2.24 -1.26 -4.65 114.28 112.60 2k94 n THR 2 Ca 0.00 -0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 61.26 2k94 n THR 2 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.10 0.14 -0.78 2.28 -0.00 -1.96 0.25 117.51 117.35 2k94 h ILE 3 Ca -0.37 0.00 0.09 0.00 -0.00 0.00 0.00 64.86 64.57 2k94 h ILE 3 Cb 1.29 0.14 -0.07 0.00 -0.00 0.00 0.00 36.82 38.19 2k94 h ILE 3 CO 0.36 0.00 0.43 1.05 -0.00 0.00 0.00 178.15 179.99 2k94 h GLU 4 N -0.21 0.72 -1.03 2.19 4.11 -1.87 -1.37 114.58 117.12 2k94 h GLU 4 Ca 0.20 -0.04 0.36 0.00 0.07 0.00 0.00 59.36 59.95 2k94 h GLU 4 Cb 0.56 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 2k94 h GLU 4 CO -0.66 0.47 0.67 -1.91 0.07 0.00 0.00 179.01 177.65 2k94 n GLU 5 N -4.77 -0.03 -0.05 1.06 2.13 0.87 0.17 120.64 120.02 2k94 n GLU 5 Ca 0.12 0.93 -0.21 0.00 0.66 0.00 0.00 57.16 58.66 2k94 n GLU 5 Cb 0.26 -1.84 -0.13 0.00 0.27 0.00 0.00 31.44 29.99 2k94 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k94 h ARG 6 N 0.00 0.12 -0.58 5.31 3.08 -1.25 -3.30 114.38 117.76 2k94 h ARG 6 Ca 0.66 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 60.55 2k94 h ARG 6 Cb 2.13 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 32.21 2k94 h ARG 6 CO -0.34 1.10 0.31 0.28 -1.07 0.00 0.00 179.97 180.24 2k94 h VAL 7 N -0.59 0.96 -1.00 2.04 2.07 0.19 -1.16 116.25 118.77 2k94 h VAL 7 Ca -0.33 -0.20 0.12 0.00 0.82 0.00 0.00 66.70 67.11 2k94 h VAL 7 Cb 1.56 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 2k94 h VAL 7 CO -0.06 0.11 0.63 0.11 0.02 0.00 0.00 177.57 178.37 2k94 h LYS 8 N 0.58 0.94 0.00 1.57 1.79 0.13 0.57 116.57 122.15 2k94 h LYS 8 Ca 0.25 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2k94 h LYS 8 Cb 0.15 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2k94 h LYS 8 CO -0.17 0.63 0.00 1.17 -1.08 0.00 0.00 179.45 180.00 2k94 n LYS 9 N -4.61 0.00 -0.51 3.15 4.81 -0.45 -1.15 118.16 119.39 2k94 n LYS 9 Ca 0.19 0.06 0.42 0.00 -0.87 0.00 0.00 58.31 58.11 2k94 n LYS 9 Cb 0.37 -0.87 0.71 0.00 0.02 0.00 0.00 35.03 35.25 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 0.09 0.00 3.15 2.04 -1.52 -0.15 117.51 121.12 2k94 h ILE 10 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2k94 h ILE 10 Cb 0.00 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 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 -4.45 0.00 -0.32 -0.67 2.08 0.19 -1.68 119.36 114.50 2k94 n ILE 11 Ca 0.39 1.09 0.32 0.00 0.56 0.00 0.00 62.75 65.11 2k94 n ILE 11 Cb 1.60 -2.00 0.69 0.00 -0.75 0.00 0.00 39.64 39.19 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 0.35 0.00 7.39 0.00 -0.24 -2.35 103.07 108.22 2k94 h GLY 12 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2k94 h GLY 12 CO 0.00 -0.05 0.00 -1.06 0.00 0.00 0.00 176.54 175.43 2k94 n GLN 13 N -4.31 0.00 0.00 4.80 3.00 -0.15 0.11 117.38 120.82 2k94 n GLN 13 Ca 0.26 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 2k94 n GLN 13 Cb 1.16 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 30.05 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 -1.84 0.00 -0.33 -1.09 6.02 -0.67 0.27 117.38 119.73 2k94 n GLN 14 Ca 0.00 0.85 0.02 0.00 -0.01 0.00 0.00 57.00 57.86 2k94 n GLN 14 Cb 0.00 -1.27 0.09 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.04 0.00 1.08 7.12 -1.54 -3.46 115.31 117.47 2k94 h LEU 15 Ca 0.00 0.28 0.00 0.00 0.13 0.00 0.00 57.88 58.29 2k94 h LEU 15 Cb 0.00 0.62 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 2k94 h LEU 15 CO 0.00 -0.30 0.00 0.61 -0.13 0.00 0.00 178.44 178.62 2k94 n GLY 16 N -1.54 0.66 3.28 3.75 0.00 0.14 -5.12 105.19 106.36 2k94 n GLY 16 Ca 0.12 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.01 0.05 1.06 1.61 -7.23 -0.06 -5.02 120.40 109.81 2k94 s VAL 17 Ca 0.00 -0.45 -0.13 0.00 -1.81 0.00 0.00 61.98 59.59 2k94 s VAL 17 Cb 0.00 -0.76 0.18 0.00 0.56 0.00 0.00 36.38 36.36 2k94 s VAL 17 CO 0.00 -0.25 0.79 2.29 -0.31 0.00 0.00 175.10 177.62 2k94 n LYS 18 N 1.01 -1.41 0.21 4.82 2.85 -1.26 -4.13 118.16 120.24 2k94 n LYS 18 Ca -0.20 -0.37 0.15 0.00 -1.05 0.00 0.00 58.31 56.83 2k94 n LYS 18 Cb 0.57 -2.10 0.55 0.00 -0.65 0.00 0.00 35.03 33.40 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 -2.19 0.00 0.00 -1.58 -0.00 -1.93 -2.55 115.11 106.86 2k94 h GLN 19 Ca -0.52 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 57.96 2k94 h GLN 19 Cb 1.31 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.77 2k94 h GLN 19 CO 0.43 0.00 -0.82 0.93 -0.00 0.00 0.00 178.83 179.37 2k94 h GLU 20 N 0.00 0.00 -0.09 0.06 5.08 -1.99 -3.23 114.58 114.41 2k94 h GLU 20 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2k94 h GLU 20 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2k94 h GLU 20 CO 0.00 0.76 -0.57 1.49 -1.00 0.00 0.00 179.01 179.69 2k94 h GLU 21 N 0.00 0.28 -6.22 2.33 4.22 -1.79 -3.42 114.58 109.98 2k94 h GLU 21 Ca -0.02 -0.18 -0.56 0.00 0.08 0.00 0.00 59.36 58.68 2k94 h GLU 21 Cb 1.61 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 2k94 h GLU 21 CO 0.10 0.78 0.92 0.08 -2.18 0.00 0.00 179.01 178.71 2k94 s VAL 22 N -3.83 4.02 0.00 0.32 1.01 -1.19 -5.01 120.40 115.71 2k94 s VAL 22 Ca -0.04 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2k94 s VAL 22 Cb 0.12 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2k94 s VAL 22 CO 0.80 -0.09 0.00 0.35 0.00 0.00 0.00 175.10 176.16 2k94 n THR 23 N 5.23 0.00 0.38 3.92 -2.24 -1.26 -4.98 114.28 115.33 2k94 n THR 23 Ca 0.14 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.97 2k94 n THR 23 Cb 0.44 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.48 0.65 -3.50 3.42 2.85 -1.26 -3.81 115.26 111.13 2k94 n ASN 24 Ca 0.00 -0.64 -0.27 0.00 -0.11 0.00 0.00 54.58 53.56 2k94 n ASN 24 Cb 0.00 1.04 -0.10 0.00 1.24 0.00 0.00 39.78 41.96 2k94 n ASN 24 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2k94 n ASN 25 N -1.27 0.93 -0.93 1.20 3.02 -1.26 -4.04 115.26 112.92 2k94 n ASN 25 Ca 0.01 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.82 2k94 n ASN 25 Cb 0.15 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k94 n ALA 26 N 2.20 0.00 -3.68 5.41 0.00 -1.26 -5.09 120.51 118.08 2k94 n ALA 26 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 2k94 n ALA 26 Cb 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.83 0.80 -0.00 0.00 0.15 -1.26 -4.59 113.70 107.98 2k94 s SER 27 Ca 0.00 0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.86 2k94 s SER 27 Cb 0.00 0.04 0.08 0.00 -1.71 0.00 0.00 66.02 64.43 2k94 s SER 27 CO 0.00 -0.23 1.06 0.33 1.20 0.00 0.00 173.24 175.60 2k94 n PHE 28 N 5.13 0.12 -0.12 3.44 7.35 0.62 -1.52 117.46 132.47 2k94 n PHE 28 Ca -0.08 -0.06 -0.26 0.00 -0.76 0.00 0.00 57.45 56.30 2k94 n PHE 28 Cb 0.50 -0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.23 2k94 n PHE 28 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2k94 n VAL 29 N -0.24 1.53 0.01 -2.13 0.31 -1.25 -1.79 118.33 114.77 2k94 n VAL 29 Ca 0.03 -0.23 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 2k94 n VAL 29 Cb 0.08 -1.97 -0.01 0.00 -0.91 0.00 0.00 33.84 31.03 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 -4.33 0.07 -0.33 5.55 1.02 -1.24 -3.69 120.64 117.69 2k94 n GLU 30 Ca -0.44 0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 56.67 2k94 n GLU 30 Cb 0.79 -0.63 -0.03 0.00 -0.02 0.00 0.00 31.44 31.55 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 -3.39 -0.73 -0.05 1.62 2.03 -0.82 -2.06 116.55 113.14 2k94 n ASP 31 Ca -0.05 1.45 -0.22 0.00 0.52 0.00 0.00 54.79 56.50 2k94 n ASP 31 Cb 0.31 -0.25 -0.13 0.00 -0.72 0.00 0.00 41.12 40.34 2k94 n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k94 n LEU 32 N -5.10 2.50 -0.93 -2.67 4.32 -0.58 -4.99 117.00 109.55 2k94 n LEU 32 Ca 0.04 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 2k94 n LEU 32 Cb 0.26 -1.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 2k94 n LEU 32 CO -0.12 0.74 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 2k94 n GLY 33 N 1.88 -0.02 3.26 -0.72 0.00 -0.88 -5.01 105.19 103.69 2k94 n GLY 33 Ca -0.36 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.58 3.40 1.06 4.61 0.00 -0.74 -5.00 121.76 123.52 2k94 s ALA 34 Ca 0.00 -2.37 -0.15 0.00 0.00 0.00 0.00 51.96 49.44 2k94 s ALA 34 Cb 0.00 -2.83 0.18 0.00 0.00 0.00 0.00 23.12 20.46 2k94 s ALA 34 CO 0.00 -1.81 0.32 -0.40 0.00 0.00 0.00 175.76 173.86 2k94 n ASP 35 N 4.97 -3.02 0.00 0.00 5.68 -1.26 -3.98 116.55 118.94 2k94 n ASP 35 Ca -0.10 -0.39 0.08 0.00 -0.50 0.00 0.00 54.79 53.88 2k94 n ASP 35 Cb 0.42 -0.81 0.38 0.00 -1.14 0.00 0.00 41.12 39.96 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 -1.68 0.00 -0.01 -1.12 3.41 -1.26 -0.27 113.62 112.69 2k94 n SER 36 Ca 0.06 0.27 0.04 0.00 -0.26 0.00 0.00 58.87 58.98 2k94 n SER 36 Cb 0.41 -0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.39 0.24 -0.07 1.04 4.32 -1.26 -3.72 117.00 116.16 2k94 n LEU 37 Ca 0.06 0.10 -0.18 0.00 -0.02 0.00 0.00 56.01 55.97 2k94 n LEU 37 Cb 0.16 0.13 -0.13 0.00 -1.62 0.00 0.00 43.42 41.95 2k94 n LEU 37 CO 0.14 0.12 -1.09 -0.67 -1.22 0.00 0.00 177.39 174.67 2k94 n ASP 38 N -2.53 1.75 -0.24 -1.43 -0.08 -0.80 -3.77 116.55 109.46 2k94 n ASP 38 Ca -0.11 0.03 -0.07 0.00 -1.51 0.00 0.00 54.79 53.13 2k94 n ASP 38 Cb 0.76 -0.40 0.04 0.00 2.34 0.00 0.00 41.12 43.86 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 0.02 1.24 0.00 5.18 2.02 -0.76 -2.31 112.91 118.30 2k94 h THR 39 Ca -0.50 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 65.95 2k94 h THR 39 Cb 1.99 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2k94 h THR 39 CO -0.00 0.29 0.00 0.52 0.37 0.00 0.00 175.52 176.70 2k94 n VAL 40 N -4.42 0.00 -0.64 3.16 0.31 -1.24 -2.43 118.33 113.07 2k94 n VAL 40 Ca 0.05 1.31 0.49 0.00 -0.01 0.00 0.00 64.34 66.17 2k94 n VAL 40 Cb 0.16 -2.29 0.75 0.00 -0.91 0.00 0.00 33.84 31.55 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 -1.72 0.00 0.34 5.55 1.02 -1.24 0.99 120.64 125.58 2k94 n GLU 41 Ca 0.00 1.01 -0.17 0.00 -0.02 0.00 0.00 57.16 57.99 2k94 n GLU 41 Cb 0.00 -2.36 -0.08 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 -0.73 -0.32 -4.62 7.12 -1.06 -0.73 115.31 114.97 2k94 h LEU 42 Ca 0.86 -0.01 -0.14 0.00 0.13 0.00 0.00 57.88 58.72 2k94 h LEU 42 Cb 3.51 0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 43.83 2k94 h LEU 42 CO -0.01 -0.44 -0.35 1.62 -0.13 0.00 0.00 178.44 179.13 2k94 h VAL 43 N -0.99 1.29 -0.88 1.05 3.04 0.94 -1.57 116.25 119.13 2k94 h VAL 43 Ca -0.09 -1.53 0.16 0.00 -1.01 0.00 0.00 66.70 64.23 2k94 h VAL 43 Cb 0.70 1.53 -0.10 0.00 -2.01 0.00 0.00 31.29 31.40 2k94 h VAL 43 CO 0.14 0.50 0.46 -0.03 -1.01 0.00 0.00 177.57 177.64 2k94 h MET 44 N 0.58 0.62 0.28 4.17 4.05 -0.59 0.26 114.93 124.30 2k94 h MET 44 Ca 0.05 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 2k94 h MET 44 Cb 0.94 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 2k94 h MET 44 CO 0.09 0.41 -0.14 0.00 0.23 0.00 0.00 176.91 177.50 2k94 h ALA 45 N 1.58 -0.43 -1.83 0.39 0.00 -1.02 -3.18 119.26 114.77 2k94 h ALA 45 Ca 0.48 -0.08 0.54 0.00 0.00 0.00 0.00 54.91 55.85 2k94 h ALA 45 Cb 0.70 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 2k94 h ALA 45 CO -0.37 -0.40 1.30 -0.07 0.00 0.00 0.00 179.25 179.71 2k94 h LEU 46 N -0.97 0.03 0.12 0.00 3.38 -1.01 1.12 115.31 117.99 2k94 h LEU 46 Ca -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k94 h LEU 46 Cb 0.29 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k94 h LEU 46 CO 0.06 -0.04 -0.06 -0.33 0.09 0.00 0.00 178.44 178.17 2k94 h GLU 47 N 0.01 -0.15 -0.19 1.13 5.08 -0.94 -3.06 114.58 116.46 2k94 h GLU 47 Ca 0.91 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 59.14 2k94 h GLU 47 Cb 3.53 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 32.80 2k94 h GLU 47 CO -0.08 0.11 -0.45 1.49 -1.00 0.00 0.00 179.01 179.08 2k94 h GLU 48 N -0.41 0.46 -0.94 2.33 4.81 0.11 1.10 114.58 122.05 2k94 h GLU 48 Ca -0.02 -0.25 0.15 0.00 -0.13 0.00 0.00 59.36 59.11 2k94 h GLU 48 Cb 0.33 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.57 2k94 h GLU 48 CO 0.03 0.82 -0.36 -1.91 -0.73 0.00 0.00 179.01 176.86 2k94 n GLU 49 N -4.00 -0.21 -0.36 1.92 2.13 0.73 -0.57 120.64 120.27 2k94 n GLU 49 Ca -0.02 1.45 0.07 0.00 0.66 0.00 0.00 57.16 59.32 2k94 n GLU 49 Cb 0.53 -2.15 0.18 0.00 0.27 0.00 0.00 31.44 30.27 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 -5.39 0.22 -3.24 4.31 7.35 -1.21 -5.02 117.46 114.47 2k94 n PHE 50 Ca 0.10 -1.21 -0.22 0.00 -0.76 0.00 0.00 57.45 55.36 2k94 n PHE 50 Cb 0.38 -0.24 0.02 0.00 0.35 0.00 0.00 39.48 40.00 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 -1.20 -6.45 -3.71 -2.13 9.92 0.27 -5.01 116.55 108.24 2k94 n ASP 51 Ca 0.19 0.23 -0.11 0.00 -0.53 0.00 0.00 54.79 54.57 2k94 n ASP 51 Cb 0.73 -2.79 -0.11 0.00 -0.64 0.00 0.00 41.12 38.32 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 -1.66 -0.02 -1.01 -3.53 -1.32 0.36 -4.96 115.64 103.50 2k94 s THR 52 Ca 0.26 0.07 -0.12 0.00 -1.21 0.00 0.00 61.69 60.68 2k94 s THR 52 Cb -0.04 -0.60 0.23 0.00 -1.51 0.00 0.00 72.50 70.58 2k94 s THR 52 CO 0.69 0.03 1.04 -0.70 -2.21 0.00 0.00 174.62 173.47 2k94 s GLU 53 N 1.05 3.93 -0.10 7.08 2.12 -1.26 -4.42 118.70 127.10 2k94 s GLU 53 Ca -0.07 -2.74 -0.30 0.00 0.36 0.00 0.00 54.97 52.23 2k94 s GLU 53 Cb -0.07 -4.62 -0.03 0.00 0.26 0.00 0.00 34.13 29.67 2k94 s GLU 53 CO -0.09 -1.38 1.40 -1.50 -0.54 0.00 0.00 175.26 173.15 2k94 s ILE 54 N -0.00 3.99 1.12 -3.70 1.10 -1.26 -5.01 121.20 117.44 2k94 s ILE 54 Ca 0.28 1.23 -0.18 0.00 -0.51 0.00 0.00 60.65 61.47 2k94 s ILE 54 Cb -0.08 -3.79 0.25 0.00 0.15 0.00 0.00 42.46 38.99 2k94 s ILE 54 CO -0.07 -0.09 1.16 -2.16 -2.11 0.00 0.00 174.94 171.67 2k94 s PRO 55 N 3.45 -0.60 0.00 3.50 0.04 -1.26 -4.85 135.00 135.28 2k94 s PRO 55 Ca 0.62 -0.10 0.17 0.00 0.04 0.00 0.00 61.00 61.73 2k94 s PRO 55 Cb -0.27 -1.67 0.78 0.00 0.04 0.00 0.00 34.50 33.38 2k94 s PRO 55 CO 0.21 -3.29 1.54 -3.47 0.04 0.00 0.00 177.00 172.03 2k94 n ASP 56 N -4.45 0.97 -0.10 6.66 -0.08 -1.26 -2.18 116.55 116.10 2k94 n ASP 56 Ca 0.13 -1.66 -0.14 0.00 -1.51 0.00 0.00 54.79 51.62 2k94 n ASP 56 Cb 0.59 -0.07 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 2k94 n ASP 56 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2k94 n GLU 57 N -0.12 0.73 0.00 -0.67 1.02 -1.26 -4.41 120.64 115.93 2k94 n GLU 57 Ca 0.14 0.09 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 2k94 n GLU 57 Cb 0.21 -1.45 0.17 0.00 -0.02 0.00 0.00 31.44 30.35 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 -3.01 1.57 0.00 3.49 1.02 -1.23 -3.95 120.64 118.52 2k94 n GLU 58 Ca -0.37 -1.20 0.15 0.00 -0.02 0.00 0.00 57.16 55.72 2k94 n GLU 58 Cb 0.96 -1.48 0.73 0.00 -0.02 0.00 0.00 31.44 31.64 2k94 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k94 n ALA 59 N 0.33 2.46 0.27 0.62 0.00 -0.92 -3.46 120.51 119.80 2k94 n ALA 59 Ca 0.13 -0.14 0.18 0.00 0.00 0.00 0.00 53.44 53.61 2k94 n ALA 59 Cb 0.47 -1.48 0.92 0.00 0.00 0.00 0.00 19.45 19.35 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 0.01 0.00 -2.02 0.00 4.81 -1.81 -1.69 114.58 113.87 2k94 h GLU 60 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 2k94 h GLU 60 Cb 0.34 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.42 2k94 h GLU 60 CO 0.00 0.00 0.71 1.63 -0.73 0.00 0.00 179.01 180.62 2k94 n LYS 61 N -3.31 3.60 -2.71 1.92 5.02 -1.22 -4.50 118.16 116.96 2k94 n LYS 61 Ca -0.00 -4.05 -0.05 0.00 -2.02 0.00 0.00 58.31 52.19 2k94 n LYS 61 Cb 0.30 -2.32 0.09 0.00 -0.02 0.00 0.00 35.03 33.08 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 -0.38 0.47 0.19 -0.18 5.41 -0.64 -3.59 119.36 120.63 2k94 n ILE 62 Ca 0.49 -1.99 0.02 0.00 1.00 0.00 0.00 62.75 62.26 2k94 n ILE 62 Cb 0.31 0.98 -0.02 0.00 -0.71 0.00 0.00 39.64 40.20 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 -0.73 0.00 -4.49 1.39 5.66 -1.26 -4.86 114.28 109.99 2k94 n THR 63 Ca -0.02 -0.41 -0.25 0.00 -3.05 0.00 0.00 64.05 60.32 2k94 n THR 63 Cb 0.84 1.00 -0.08 0.00 -1.55 0.00 0.00 70.33 70.55 2k94 n THR 63 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2k94 s THR 64 N -1.35 0.47 0.01 1.09 -4.23 -1.26 0.23 115.64 110.60 2k94 s THR 64 Ca 0.02 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.28 2k94 s THR 64 Cb 0.03 -2.33 -0.16 0.00 1.34 0.00 0.00 72.50 71.37 2k94 s THR 64 CO 0.16 0.00 1.22 -0.37 -0.54 0.00 0.00 174.62 175.09 2k94 h VAL 65 N 1.80 0.66 -0.02 2.29 -1.51 -1.82 -2.47 116.25 115.18 2k94 h VAL 65 Ca -0.33 -0.59 0.02 0.00 -1.23 0.00 0.00 66.70 64.56 2k94 h VAL 65 Cb 1.27 0.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 2k94 h VAL 65 CO 0.53 0.11 -0.08 -0.61 -1.23 0.00 0.00 177.57 176.29 2k94 h GLN 66 N -0.78 -0.12 -0.70 5.19 -0.00 -1.70 -2.51 115.11 114.49 2k94 h GLN 66 Ca -0.04 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.75 2k94 h GLN 66 Cb 0.51 0.03 -0.13 0.00 0.00 0.00 0.00 27.48 27.89 2k94 h GLN 66 CO 0.07 -0.08 -0.24 0.00 0.00 0.00 0.00 178.83 178.59 2k94 h ALA 67 N 0.88 0.31 -1.03 3.38 0.00 -1.81 1.14 119.26 122.13 2k94 h ALA 67 Ca 0.04 0.25 0.28 0.00 0.00 0.00 0.00 54.91 55.47 2k94 h ALA 67 Cb 0.17 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2k94 h ALA 67 CO -0.09 -0.50 0.71 0.00 0.00 0.00 0.00 179.25 179.36 2k94 h ALA 68 N 1.49 2.60 0.08 0.00 0.00 -0.98 0.77 119.26 123.21 2k94 h ALA 68 Ca 0.31 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2k94 h ALA 68 Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k94 h ALA 68 CO -0.74 -0.94 -0.04 0.82 0.00 0.00 0.00 179.25 178.35 2k94 h ILE 69 N 0.21 0.95 -0.12 0.00 1.08 0.14 -2.82 117.51 116.95 2k94 h ILE 69 Ca 0.54 -1.46 0.04 0.00 -0.39 0.00 0.00 64.86 63.59 2k94 h ILE 69 Cb 1.71 1.71 -0.00 0.00 -3.07 0.00 0.00 36.82 37.17 2k94 h ILE 69 CO -0.14 0.29 0.40 0.44 -0.69 0.00 0.00 178.15 178.45 2k94 h ASP 70 N -0.92 0.00 0.09 1.72 5.19 0.45 1.15 116.42 124.10 2k94 h ASP 70 Ca -0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2k94 h ASP 70 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 2k94 h ASP 70 CO 0.02 0.00 -0.04 0.22 -3.12 0.00 0.00 179.24 176.32 2k94 h TYR 71 N 0.00 -0.11 0.00 4.55 3.20 -0.89 -3.31 116.97 120.41 2k94 h TYR 71 Ca 0.06 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2k94 h TYR 71 Cb 0.86 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.17 2k94 h TYR 71 CO 0.00 -0.02 0.00 0.82 -1.64 0.00 0.00 178.16 177.32 2k94 h ILE 72 N -1.03 0.00 0.06 1.81 1.08 -1.01 -2.63 117.51 115.80 2k94 h ILE 72 Ca -0.01 -0.34 0.01 0.00 -0.39 0.00 0.00 64.86 64.12 2k94 h ILE 72 Cb 0.14 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2k94 h ILE 72 CO 0.02 0.00 -0.26 -1.13 -0.69 0.00 0.00 178.15 176.09 2k94 h ASN 73 N 0.00 -0.77 0.00 1.72 -0.73 0.12 -3.43 115.58 112.49 2k94 h ASN 73 Ca 0.00 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 2k94 h ASN 73 Cb 0.41 0.28 -0.03 0.00 0.27 0.00 0.00 38.32 39.25 2k94 h ASN 73 CO 0.00 -0.27 -0.06 0.61 -0.37 0.00 0.00 177.43 177.34 2k94 n GLY 74 N -1.23 -0.29 0.00 1.57 0.00 -1.23 -5.04 105.19 98.97 2k94 n GLY 74 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.02 0.00 -3.44 1.61 -0.00 -0.99 -4.72 115.22 107.65 2k94 n HIS 75 Ca -0.06 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.74 2k94 n HIS 75 Cb 0.36 -0.30 -0.06 0.00 -0.12 0.00 0.00 29.99 29.87 2k94 n HIS 75 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 2k94 s GLN 76 N -1.99 4.03 0.00 1.57 -0.44 -1.26 -5.14 119.66 116.43 2k94 s GLN 76 Ca 0.00 0.46 0.00 0.00 -2.50 0.00 0.00 55.36 53.32 2k94 s GLN 76 Cb 0.00 -3.26 0.00 0.00 -1.64 0.00 0.00 33.01 28.11 2k94 s GLN 76 CO 0.00 0.59 0.00 0.00 0.50 0.00 0.00 175.29 176.38