#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 0.14 6.66 -2.24 -1.26 -4.73 114.28 112.85 2k94 n THR 2 Ca 0.00 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 2k94 n THR 2 Cb 0.00 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 67.48 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 -2.57 0.27 -0.73 2.28 1.08 -1.93 -2.14 117.51 113.76 2k94 h ILE 3 Ca -0.46 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 2k94 h ILE 3 Cb 1.20 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 2k94 h ILE 3 CO 0.32 0.00 0.47 1.05 -0.69 0.00 0.00 178.15 179.31 2k94 h GLU 4 N -0.61 0.92 -1.22 2.37 4.11 -1.90 -1.93 114.58 116.31 2k94 h GLU 4 Ca 0.02 -0.06 0.43 0.00 0.07 0.00 0.00 59.36 59.82 2k94 h GLU 4 Cb 0.62 -0.21 -0.13 0.00 0.50 0.00 0.00 28.75 29.53 2k94 h GLU 4 CO -0.17 0.61 0.77 -1.91 0.07 0.00 0.00 179.01 178.38 2k94 n GLU 5 N -4.61 -0.03 0.04 1.06 4.07 -0.81 0.18 120.64 120.53 2k94 n GLU 5 Ca 0.07 1.15 -0.22 0.00 -0.06 0.00 0.00 57.16 58.10 2k94 n GLU 5 Cb 0.05 -2.24 -0.14 0.00 -0.06 0.00 0.00 31.44 29.05 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 0.32 -0.33 5.31 3.08 -1.27 -3.28 114.38 118.21 2k94 h ARG 6 Ca 0.80 -0.54 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 2k94 h ARG 6 Cb 2.53 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 32.76 2k94 h ARG 6 CO -0.45 1.26 0.20 0.28 -1.07 0.00 0.00 179.97 180.19 2k94 h VAL 7 N -0.16 1.11 -0.37 2.04 2.07 0.21 -2.79 116.25 118.36 2k94 h VAL 7 Ca -0.30 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.03 2k94 h VAL 7 Cb 1.88 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 32.27 2k94 h VAL 7 CO 0.12 0.11 -0.20 0.11 0.02 0.00 0.00 177.57 177.73 2k94 h LYS 8 N 0.42 -0.13 0.00 1.57 6.56 0.11 0.23 116.57 125.33 2k94 h LYS 8 Ca 0.12 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 2k94 h LYS 8 Cb 0.01 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 2k94 h LYS 8 CO -0.02 -0.09 0.00 1.63 -2.06 0.00 0.00 179.45 178.91 2k94 n LYS 9 N -5.37 0.00 -0.29 3.15 5.02 -1.06 0.00 118.16 119.61 2k94 n LYS 9 Ca 0.02 0.40 0.10 0.00 -2.02 0.00 0.00 58.31 56.81 2k94 n LYS 9 Cb 0.28 -0.97 0.23 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.27 0.00 -0.18 2.04 -1.52 0.38 117.51 118.49 2k94 h ILE 10 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2k94 h ILE 10 Cb 0.00 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 2k94 h ILE 10 CO 0.00 0.02 0.00 -0.38 0.00 0.00 0.00 178.15 177.79 2k94 n ILE 11 N -5.33 0.00 -0.36 -0.67 2.08 0.80 0.89 119.36 116.77 2k94 n ILE 11 Ca 0.18 0.88 0.30 0.00 0.56 0.00 0.00 62.75 64.67 2k94 n ILE 11 Cb 0.61 -1.56 0.60 0.00 -0.75 0.00 0.00 39.64 38.53 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 0.95 0.00 7.39 0.00 -0.15 -2.19 103.07 109.06 2k94 h GLY 12 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2k94 h GLY 12 CO 0.00 -0.17 0.00 -1.06 0.00 0.00 0.00 176.54 175.31 2k94 n GLN 13 N -4.53 0.00 -0.50 4.80 3.00 0.13 0.68 117.38 120.96 2k94 n GLN 13 Ca 0.29 0.36 0.41 0.00 -0.01 0.00 0.00 57.00 58.05 2k94 n GLN 13 Cb 1.12 -1.32 0.67 0.00 0.00 0.00 0.00 30.24 30.71 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 -1.53 -0.02 0.13 -1.09 6.02 0.26 0.14 117.38 121.28 2k94 n GLN 14 Ca 0.00 1.11 -0.06 0.00 -0.01 0.00 0.00 57.00 58.04 2k94 n GLN 14 Cb 0.00 -2.29 -0.03 0.00 1.02 0.00 0.00 30.24 28.94 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 -0.33 0.00 1.08 7.12 -0.98 -3.45 115.31 118.75 2k94 h LEU 15 Ca 0.83 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.85 2k94 h LEU 15 Cb 2.89 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 43.10 2k94 h LEU 15 CO -0.31 0.04 0.00 0.61 -0.13 0.00 0.00 178.44 178.65 2k94 n GLY 16 N 0.66 0.43 3.55 3.75 0.00 0.21 -5.10 105.19 108.69 2k94 n GLY 16 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.37 0.00 0.80 1.61 -7.23 -0.26 -5.02 120.40 109.93 2k94 s VAL 17 Ca 0.00 -0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 60.00 2k94 s VAL 17 Cb 0.00 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 2k94 s VAL 17 CO 0.00 -0.01 0.40 2.29 -0.31 0.00 0.00 175.10 177.47 2k94 n LYS 18 N 2.27 0.11 0.20 4.82 0.00 -1.26 -3.62 118.16 120.67 2k94 n LYS 18 Ca -0.15 0.08 0.18 0.00 -0.00 0.00 0.00 58.31 58.41 2k94 n LYS 18 Cb 0.56 -1.77 0.83 0.00 -0.00 0.00 0.00 35.03 34.65 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 -0.74 0.00 -0.78 -1.58 -0.00 -1.87 0.39 115.11 110.54 2k94 h GLN 19 Ca -0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.16 2k94 h GLN 19 Cb 1.33 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.78 2k94 h GLN 19 CO 0.39 0.00 0.32 1.49 -0.00 0.00 0.00 178.83 181.03 2k94 h GLU 20 N 0.00 1.15 -0.35 0.06 4.81 -1.96 -1.90 114.58 116.40 2k94 h GLU 20 Ca 0.09 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2k94 h GLU 20 Cb 0.55 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2k94 h GLU 20 CO -0.00 0.93 0.24 1.49 -0.73 0.00 0.00 179.01 180.93 2k94 h GLU 21 N 1.12 0.25 -6.17 1.92 4.22 -1.21 -3.39 114.58 111.30 2k94 h GLU 21 Ca 0.26 -0.01 -0.57 0.00 0.08 0.00 0.00 59.36 59.12 2k94 h GLU 21 Cb 0.20 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2k94 h GLU 21 CO -0.02 0.16 0.92 0.08 -2.18 0.00 0.00 179.01 177.97 2k94 s VAL 22 N -5.26 4.25 0.18 0.32 1.01 -0.72 -5.02 120.40 115.17 2k94 s VAL 22 Ca -0.07 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.44 2k94 s VAL 22 Cb 0.18 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2k94 s VAL 22 CO 0.72 -0.18 0.25 0.35 0.00 0.00 0.00 175.10 176.24 2k94 n THR 23 N 5.49 0.00 -0.03 3.92 -2.24 -1.26 -4.99 114.28 115.17 2k94 n THR 23 Ca 0.14 -0.60 0.01 0.00 -2.27 0.00 0.00 64.05 61.33 2k94 n THR 23 Cb 0.45 -0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.79 0.23 -3.66 3.42 2.85 -1.26 -3.26 115.26 110.78 2k94 n ASN 24 Ca 0.05 0.10 -0.27 0.00 -0.11 0.00 0.00 54.58 54.34 2k94 n ASN 24 Cb 0.19 1.15 -0.11 0.00 1.24 0.00 0.00 39.78 42.25 2k94 n ASN 24 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2k94 n ASN 25 N -2.60 1.82 -1.36 1.20 5.15 -1.26 -4.26 115.26 113.95 2k94 n ASN 25 Ca -0.16 -2.94 -0.02 0.00 -0.60 0.00 0.00 54.58 50.86 2k94 n ASN 25 Cb 0.85 -0.68 -0.01 0.00 -0.53 0.00 0.00 39.78 39.41 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 2.11 0.08 -3.55 5.20 0.00 -1.26 -5.09 120.51 117.99 2k94 n ALA 26 Ca 0.24 -0.23 -0.24 0.00 0.00 0.00 0.00 53.44 53.22 2k94 n ALA 26 Cb 0.41 0.18 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.27 2.23 0.00 0.00 0.15 -1.26 -4.52 113.70 109.03 2k94 s SER 27 Ca 0.04 -0.63 0.18 0.00 0.70 0.00 0.00 55.95 56.25 2k94 s SER 27 Cb 0.00 -0.03 1.10 0.00 -1.71 0.00 0.00 66.02 65.38 2k94 s SER 27 CO 0.03 -0.36 1.63 0.33 1.20 0.00 0.00 173.24 176.07 2k94 n PHE 28 N 5.29 0.00 -0.06 3.44 7.35 1.56 -0.61 117.46 134.43 2k94 n PHE 28 Ca -0.06 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.45 2k94 n PHE 28 Cb 0.48 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.17 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 -0.83 1.62 0.04 -2.13 0.31 -0.95 -0.40 118.33 116.00 2k94 n VAL 29 Ca 0.14 -0.65 -0.01 0.00 -0.01 0.00 0.00 64.34 63.82 2k94 n VAL 29 Cb 0.06 -1.46 -0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 -3.30 0.03 -0.33 5.55 1.02 -1.16 -3.90 120.64 118.55 2k94 n GLU 30 Ca -0.37 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 56.70 2k94 n GLU 30 Cb 1.03 -0.56 -0.08 0.00 -0.02 0.00 0.00 31.44 31.82 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 -3.54 -0.82 0.02 1.62 2.03 0.22 -2.15 116.55 113.92 2k94 n ASP 31 Ca -0.01 1.55 -0.21 0.00 0.52 0.00 0.00 54.79 56.64 2k94 n ASP 31 Cb 0.05 -0.26 -0.14 0.00 -0.72 0.00 0.00 41.12 40.05 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 0.41 -1.14 -2.67 -0.00 -1.63 -3.50 115.31 106.78 2k94 h LEU 32 Ca 0.12 -0.88 0.00 0.00 -0.00 0.00 0.00 57.88 57.13 2k94 h LEU 32 Cb 0.32 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 2k94 h LEU 32 CO -0.73 1.56 0.00 0.61 -0.00 0.00 0.00 178.44 179.87 2k94 n GLY 33 N 1.72 0.49 3.56 0.83 0.00 -0.92 -4.99 105.19 105.88 2k94 n GLY 33 Ca -0.22 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.13 2.37 0.98 4.61 0.00 0.46 -4.98 121.76 123.08 2k94 s ALA 34 Ca 0.00 -1.62 -0.12 0.00 0.00 0.00 0.00 51.96 50.22 2k94 s ALA 34 Cb 0.00 -4.44 0.18 0.00 0.00 0.00 0.00 23.12 18.86 2k94 s ALA 34 CO 0.00 -3.89 0.42 -0.40 0.00 0.00 0.00 175.76 171.89 2k94 n ASP 35 N 10.87 -2.92 0.00 0.00 5.68 -1.26 -4.05 116.55 124.86 2k94 n ASP 35 Ca 0.26 -0.42 0.11 0.00 -0.50 0.00 0.00 54.79 54.24 2k94 n ASP 35 Cb 0.50 -0.66 0.59 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 -1.96 0.00 -0.10 -1.12 3.41 -1.26 -0.89 113.62 111.69 2k94 n SER 36 Ca 0.07 -0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.23 2k94 n SER 36 Cb 0.29 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.16 1.43 0.06 1.04 7.99 -1.26 -3.90 117.00 121.20 2k94 n LEU 37 Ca 0.13 -0.02 -0.23 0.00 -0.01 0.00 0.00 56.01 55.88 2k94 n LEU 37 Cb 0.13 -0.19 -0.15 0.00 -0.11 0.00 0.00 43.42 43.10 2k94 n LEU 37 CO 0.15 0.70 -0.49 -0.78 -1.51 0.00 0.00 177.39 175.46 2k94 h ASP 38 N 0.00 0.58 -0.15 -1.43 1.82 -1.79 -3.20 116.42 112.26 2k94 h ASP 38 Ca -0.54 -0.92 0.03 0.00 -0.39 0.00 0.00 57.03 55.20 2k94 h ASP 38 Cb 2.08 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 41.88 2k94 h ASP 38 CO -0.01 1.74 -0.01 0.74 -1.61 0.00 0.00 179.24 180.09 2k94 h THR 39 N 0.01 0.88 0.00 2.25 2.02 -1.16 -1.49 112.91 115.43 2k94 h THR 39 Ca -0.33 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2k94 h THR 39 Cb 2.02 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2k94 h THR 39 CO 0.16 0.01 0.00 0.52 0.37 0.00 0.00 175.52 176.57 2k94 n VAL 40 N -5.14 0.00 -0.56 3.16 0.31 -1.25 -1.51 118.33 113.34 2k94 n VAL 40 Ca -0.04 1.45 0.46 0.00 -0.01 0.00 0.00 64.34 66.21 2k94 n VAL 40 Cb 0.09 -2.35 0.70 0.00 -0.91 0.00 0.00 33.84 31.37 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 -2.06 0.00 0.29 5.55 1.02 -1.21 0.27 120.64 124.51 2k94 n GLU 41 Ca 0.00 1.06 -0.12 0.00 -0.02 0.00 0.00 57.16 58.08 2k94 n GLU 41 Cb 0.00 -2.51 -0.06 0.00 -0.02 0.00 0.00 31.44 28.86 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 -0.66 0.42 -4.62 5.85 -0.16 -2.36 115.31 113.78 2k94 h LEU 42 Ca 0.81 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.53 2k94 h LEU 42 Cb 3.53 0.17 0.00 0.00 0.37 0.00 0.00 40.66 44.73 2k94 h LEU 42 CO -0.01 -0.34 -0.20 0.58 -0.34 0.00 0.00 178.44 178.13 2k94 h VAL 43 N -1.04 0.58 -0.99 1.05 2.07 0.56 -2.23 116.25 116.26 2k94 h VAL 43 Ca -0.08 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.55 2k94 h VAL 43 Cb 0.59 0.59 -0.14 0.00 -1.52 0.00 0.00 31.29 30.81 2k94 h VAL 43 CO 0.13 0.00 -0.47 0.23 0.02 0.00 0.00 177.57 177.49 2k94 n MET 44 N -5.33 -0.32 -0.32 1.57 2.81 0.07 0.18 117.12 115.78 2k94 n MET 44 Ca -0.11 1.51 0.06 0.00 -1.81 0.00 0.00 57.70 57.35 2k94 n MET 44 Cb 0.24 -2.23 0.26 0.00 -0.71 0.00 0.00 33.22 30.78 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 1.01 1.55 -0.37 3.04 0.00 -1.26 -1.13 119.26 122.10 2k94 h ALA 45 Ca 0.27 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2k94 h ALA 45 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k94 h ALA 45 CO -0.96 0.25 -0.13 -0.07 0.00 0.00 0.00 179.25 178.34 2k94 h LEU 46 N 0.98 0.75 -2.25 0.00 3.38 0.25 1.24 115.31 119.67 2k94 h LEU 46 Ca 0.44 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2k94 h LEU 46 Cb 0.38 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k94 h LEU 46 CO -0.20 0.97 0.25 -0.33 0.09 0.00 0.00 178.44 179.22 2k94 h GLU 47 N 0.53 0.00 0.00 1.13 5.08 0.22 -1.63 114.58 119.91 2k94 h GLU 47 Ca 0.09 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.21 2k94 h GLU 47 Cb 0.66 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2k94 h GLU 47 CO 0.04 0.00 -1.91 -1.91 -1.00 0.00 0.00 179.01 174.23 2k94 n GLU 48 N -3.18 1.19 -0.30 2.33 2.13 -0.91 -0.44 120.64 121.45 2k94 n GLU 48 Ca -0.01 0.04 -0.01 0.00 0.66 0.00 0.00 57.16 57.85 2k94 n GLU 48 Cb 0.33 -1.33 0.05 0.00 0.27 0.00 0.00 31.44 30.76 2k94 n GLU 48 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k94 h GLU 49 N 0.00 -0.05 -0.45 5.31 4.57 0.25 0.42 114.58 124.63 2k94 h GLU 49 Ca -0.36 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.73 2k94 h GLU 49 Cb 1.69 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 30.24 2k94 h GLU 49 CO -0.02 -0.03 0.07 0.34 -1.18 0.00 0.00 179.01 178.19 2k94 n PHE 50 N -5.49 1.55 -3.47 0.92 7.35 -1.10 -4.99 117.46 112.23 2k94 n PHE 50 Ca 0.09 -1.07 -0.34 0.00 -0.76 0.00 0.00 57.45 55.37 2k94 n PHE 50 Cb 0.40 -0.48 0.03 0.00 0.35 0.00 0.00 39.48 39.78 2k94 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2k94 n ASP 51 N -0.38 -5.01 -3.81 -2.13 2.03 0.15 -4.97 116.55 102.42 2k94 n ASP 51 Ca 0.30 -0.35 -0.09 0.00 0.52 0.00 0.00 54.79 55.17 2k94 n ASP 51 Cb 1.10 -1.50 -0.04 0.00 -0.72 0.00 0.00 41.12 39.96 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 -1.74 0.02 -0.36 5.18 -1.32 0.41 -4.99 115.64 112.84 2k94 s THR 52 Ca 0.28 -0.95 -0.04 0.00 -1.21 0.00 0.00 61.69 59.77 2k94 s THR 52 Cb -0.03 -1.76 0.07 0.00 -1.51 0.00 0.00 72.50 69.27 2k94 s THR 52 CO 0.84 -0.08 0.12 -0.70 -2.21 0.00 0.00 174.62 172.59 2k94 s GLU 53 N -3.91 2.34 -0.13 7.08 2.12 -1.26 -4.43 118.70 120.51 2k94 s GLU 53 Ca 0.12 -1.46 -0.29 0.00 0.36 0.00 0.00 54.97 53.69 2k94 s GLU 53 Cb -0.01 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 2k94 s GLU 53 CO 0.01 -0.83 1.42 -1.50 -0.54 0.00 0.00 175.26 173.82 2k94 s ILE 54 N 1.27 4.01 0.81 -3.70 -1.16 -1.26 -5.01 121.20 116.16 2k94 s ILE 54 Ca 0.01 1.21 -0.14 0.00 -0.51 0.00 0.00 60.65 61.23 2k94 s ILE 54 Cb -0.21 -3.80 0.20 0.00 0.61 0.00 0.00 42.46 39.26 2k94 s ILE 54 CO -0.01 -0.12 0.80 -0.81 -2.81 0.00 0.00 174.94 171.99 2k94 n PRO 55 N 6.85 -2.11 -0.00 3.50 -0.04 -1.26 -4.95 135.00 136.98 2k94 n PRO 55 Ca 0.15 -1.27 -0.12 0.00 -0.04 0.00 0.00 63.50 62.23 2k94 n PRO 55 Cb 0.44 -1.10 -0.14 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.96 0.11 -0.39 3.54 5.19 -1.95 -3.16 116.42 117.80 2k94 h ASP 56 Ca -0.29 -0.23 0.04 0.00 -0.62 0.00 0.00 57.03 55.93 2k94 h ASP 56 Cb 0.86 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.30 2k94 h ASP 56 CO 0.19 1.20 0.16 -0.33 -3.12 0.00 0.00 179.24 177.35 2k94 h GLU 57 N 0.02 0.33 0.00 3.56 3.07 -2.03 0.12 114.58 119.65 2k94 h GLU 57 Ca -0.28 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 2k94 h GLU 57 Cb 2.00 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.83 2k94 h GLU 57 CO 0.09 0.22 0.00 -1.91 -1.40 0.00 0.00 179.01 176.01 2k94 n GLU 58 N -4.98 0.13 -1.81 2.33 0.00 -1.26 -4.18 120.64 110.87 2k94 n GLU 58 Ca 0.02 0.15 -0.41 0.00 0.00 0.00 0.00 57.16 56.92 2k94 n GLU 58 Cb 0.13 -1.66 -0.01 0.00 0.00 0.00 0.00 31.44 29.90 2k94 n GLU 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k94 n ALA 59 N -1.64 6.22 0.10 4.31 0.00 0.03 -3.95 120.51 125.58 2k94 n ALA 59 Ca 0.06 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.56 2k94 n ALA 59 Cb 0.35 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.56 2k94 n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k94 n GLU 60 N 4.20 0.00 0.00 0.00 2.13 -1.26 -4.85 120.64 120.86 2k94 n GLU 60 Ca 0.57 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.53 2k94 n GLU 60 Cb 0.32 0.00 0.80 0.00 0.27 0.00 0.00 31.44 32.83 2k94 n GLU 60 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k94 n LYS 61 N -3.04 0.78 -0.98 5.31 5.02 -1.25 -4.14 118.16 119.85 2k94 n LYS 61 Ca 0.00 0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.12 2k94 n LYS 61 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.39 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 -1.05 3.05 0.08 -0.18 5.41 -1.26 -3.73 119.36 121.67 2k94 n ILE 62 Ca 0.19 -1.63 0.01 0.00 1.00 0.00 0.00 62.75 62.32 2k94 n ILE 62 Cb 0.12 -2.11 0.01 0.00 -0.71 0.00 0.00 39.64 36.94 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 -2.21 1.39 5.66 -1.26 -4.98 114.28 115.78 2k94 n THR 63 Ca 0.48 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2k94 n THR 63 Cb 0.64 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.46 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 -1.24 0.45 114.28 112.37 2k94 n THR 64 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2k94 n THR 64 Cb 0.05 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 -4.43 118.33 114.94 2k94 n VAL 65 Ca 0.00 0.34 0.16 0.00 -0.01 0.00 0.00 64.34 64.83 2k94 n VAL 65 Cb 0.00 -1.31 0.30 0.00 -0.91 0.00 0.00 33.84 31.92 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 -2.11 -0.06 -0.14 5.55 7.27 -1.20 -0.42 117.38 126.26 2k94 n GLN 66 Ca 0.00 1.23 -0.04 0.00 0.07 0.00 0.00 57.00 58.26 2k94 n GLN 66 Cb 0.00 -2.01 -0.03 0.00 2.41 0.00 0.00 30.24 30.61 2k94 n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k94 n ALA 67 N -3.05 -0.21 -0.19 1.69 0.00 -1.26 0.19 120.51 117.67 2k94 n ALA 67 Ca 0.22 0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.93 2k94 n ALA 67 Cb 0.74 0.26 0.05 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.45 0.29 -0.61 0.00 0.00 -0.96 0.97 119.26 118.49 2k94 h ALA 68 Ca 0.05 0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.36 2k94 h ALA 68 Cb 0.14 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2k94 h ALA 68 CO -0.31 -0.49 0.45 0.82 0.00 0.00 0.00 179.25 179.71 2k94 h ILE 69 N -0.05 0.67 0.02 0.00 2.04 -0.33 0.32 117.51 120.18 2k94 h ILE 69 Ca 0.27 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.90 2k94 h ILE 69 Cb 0.47 0.69 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2k94 h ILE 69 CO -0.63 0.00 -0.99 -0.78 0.00 0.00 0.00 178.15 175.75 2k94 h ASP 70 N 0.00 0.58 -0.04 1.72 1.82 0.52 -0.73 116.42 120.29 2k94 h ASP 70 Ca 0.29 -0.48 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 2k94 h ASP 70 Cb 1.18 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 41.01 2k94 h ASP 70 CO -0.00 1.28 -0.03 0.22 -1.61 0.00 0.00 179.24 179.10 2k94 h TYR 71 N 0.24 0.11 0.00 0.28 3.20 0.12 -2.85 116.97 118.07 2k94 h TYR 71 Ca -0.09 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2k94 h TYR 71 Cb 1.63 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.88 2k94 h TYR 71 CO 0.07 0.53 0.00 -0.89 -1.64 0.00 0.00 178.16 176.23 2k94 n ILE 72 N -4.79 0.76 0.00 1.81 2.08 0.22 0.82 119.36 120.25 2k94 n ILE 72 Ca -0.08 0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2k94 n ILE 72 Cb 0.26 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.16 2k94 n ILE 72 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 2k94 n ASN 73 N -2.26 0.00 -0.00 4.38 2.85 -0.28 -4.57 115.26 115.38 2k94 n ASN 73 Ca 0.03 0.86 0.01 0.00 -0.11 0.00 0.00 54.58 55.37 2k94 n ASN 73 Cb 0.29 -0.49 -0.01 0.00 1.24 0.00 0.00 39.78 40.81 2k94 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k94 n GLY 74 N -0.20 0.58 5.94 8.20 0.00 -1.17 -5.00 105.19 113.54 2k94 n GLY 74 Ca 0.00 -0.04 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 -2.39 0.00 0.00 0.00 173.32 170.93 2k94 n HIS 75 N -1.19 0.00 -2.53 1.61 1.44 0.24 -4.19 115.22 110.59 2k94 n HIS 75 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 2k94 n HIS 75 Cb 0.03 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.10 2k94 n HIS 75 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2k94 s GLN 76 N 0.00 4.52 0.00 -1.40 -1.52 -1.26 -5.00 119.66 115.00 2k94 s GLN 76 Ca 0.00 1.65 0.00 0.00 -1.95 0.00 0.00 55.36 55.06 2k94 s GLN 76 Cb 0.00 -3.36 0.00 0.00 -0.22 0.00 0.00 33.01 29.43 2k94 s GLN 76 CO 0.00 -0.10 0.00 0.00 -0.25 0.00 0.00 175.29 174.94