#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 -0.00 6.66 -2.24 -1.26 -4.70 114.28 112.74 2k94 n THR 2 Ca 0.00 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 2k94 n THR 2 Cb 0.00 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.92 0.26 -0.21 2.28 -0.00 -1.89 0.90 117.51 116.93 2k94 h ILE 3 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.35 2k94 h ILE 3 Cb 1.35 0.26 -0.01 0.00 -0.00 0.00 0.00 36.82 38.42 2k94 h ILE 3 CO 0.37 0.00 0.14 1.05 -0.00 0.00 0.00 178.15 179.70 2k94 h GLU 4 N -0.41 0.28 -0.86 2.19 9.09 -1.89 -1.32 114.58 121.66 2k94 h GLU 4 Ca 0.09 -0.02 0.25 0.00 0.05 0.00 0.00 59.36 59.74 2k94 h GLU 4 Cb 0.56 -0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 27.56 2k94 h GLU 4 CO -0.36 0.19 0.84 1.49 0.05 0.00 0.00 179.01 181.22 2k94 h GLU 5 N 0.29 0.00 0.00 1.06 4.57 -1.09 1.23 114.58 120.64 2k94 h GLU 5 Ca 0.08 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.90 2k94 h GLU 5 Cb -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 2k94 h GLU 5 CO -0.02 0.00 -2.31 0.54 -1.18 0.00 0.00 179.01 176.05 2k94 n ARG 6 N -3.67 0.68 -0.03 1.92 1.74 -0.52 -4.06 116.66 112.72 2k94 n ARG 6 Ca 0.18 0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 57.15 2k94 n ARG 6 Cb 1.12 -1.55 -0.09 0.00 -1.02 0.00 0.00 32.46 30.92 2k94 n ARG 6 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k94 h VAL 7 N 0.00 1.43 -0.29 1.55 2.07 0.65 -3.23 116.25 118.43 2k94 h VAL 7 Ca -0.52 -1.57 0.07 0.00 0.82 0.00 0.00 66.70 65.49 2k94 h VAL 7 Cb 2.22 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 34.22 2k94 h VAL 7 CO 0.04 0.44 -0.16 0.11 0.02 0.00 0.00 177.57 178.02 2k94 h LYS 8 N -0.27 -0.12 0.00 1.57 1.79 0.91 0.35 116.57 120.80 2k94 h LYS 8 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k94 h LYS 8 Cb 0.81 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2k94 h LYS 8 CO 0.04 -0.08 0.00 1.63 -1.08 0.00 0.00 179.45 179.96 2k94 n LYS 9 N -5.33 0.00 -0.24 3.15 5.02 -1.23 -0.75 118.16 118.78 2k94 n LYS 9 Ca 0.00 0.47 0.02 0.00 -2.02 0.00 0.00 58.31 56.78 2k94 n LYS 9 Cb 0.24 -1.07 0.11 0.00 -0.02 0.00 0.00 35.03 34.30 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 0.36 0.00 -0.18 2.04 -1.56 -0.86 117.51 117.31 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 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 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 -5.38 0.00 -0.33 -0.67 2.08 0.12 0.11 119.36 115.29 2k94 n ILE 11 Ca 0.11 0.98 0.24 0.00 0.56 0.00 0.00 62.75 64.64 2k94 n ILE 11 Cb 0.40 -1.50 0.47 0.00 -0.75 0.00 0.00 39.64 38.26 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 2.05 0.15 7.39 0.00 -0.72 -1.23 103.07 110.71 2k94 h GLY 12 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2k94 h GLY 12 CO 0.00 -0.51 -0.13 1.46 0.00 0.00 0.00 176.54 177.36 2k94 h GLN 13 N 0.30 -0.26 -1.29 4.80 7.50 0.63 1.16 115.11 127.94 2k94 h GLN 13 Ca 0.73 0.02 0.43 0.00 0.50 0.00 0.00 58.65 60.33 2k94 h GLN 13 Cb 1.68 0.06 -0.11 0.00 0.05 0.00 0.00 27.48 29.16 2k94 h GLN 13 CO -0.62 -0.17 0.85 1.04 -1.50 0.00 0.00 178.83 178.43 2k94 n GLN 14 N -3.06 -0.03 -0.01 1.46 6.02 0.30 -1.17 117.38 120.89 2k94 n GLN 14 Ca -0.03 1.07 -0.00 0.00 -0.01 0.00 0.00 57.00 58.03 2k94 n GLN 14 Cb 0.12 -2.16 -0.00 0.00 1.02 0.00 0.00 30.24 29.22 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 0.00 0.00 1.08 7.12 -0.98 -3.44 115.31 119.09 2k94 h LEU 15 Ca 0.78 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.79 2k94 h LEU 15 Cb 2.62 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.75 2k94 h LEU 15 CO -0.34 0.06 0.00 0.61 -0.13 0.00 0.00 178.44 178.64 2k94 n GLY 16 N 1.92 0.51 3.18 3.75 0.00 0.39 -5.11 105.19 109.83 2k94 n GLY 16 Ca -0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 0.14 1.01 1.61 -7.23 -1.20 -5.05 120.40 109.68 2k94 s VAL 17 Ca 0.00 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.88 2k94 s VAL 17 Cb 0.00 -1.21 0.05 0.00 0.56 0.00 0.00 36.38 35.79 2k94 s VAL 17 CO 0.00 -0.63 0.21 2.29 -0.31 0.00 0.00 175.10 176.66 2k94 n LYS 18 N 0.21 -0.73 0.22 4.82 2.85 -1.26 -4.74 118.16 119.53 2k94 n LYS 18 Ca -0.16 -0.18 0.10 0.00 -1.05 0.00 0.00 58.31 57.02 2k94 n LYS 18 Cb 0.61 -1.76 0.40 0.00 -0.65 0.00 0.00 35.03 33.62 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 -1.71 0.00 0.00 -1.58 -0.00 -1.99 -2.68 115.11 107.15 2k94 h GLN 19 Ca -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.16 2k94 h GLN 19 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.79 2k94 h GLN 19 CO 0.35 0.20 -0.11 1.49 -0.00 0.00 0.00 178.83 180.76 2k94 h GLU 20 N 0.00 0.00 0.49 0.06 4.81 -2.04 -3.28 114.58 114.62 2k94 h GLU 20 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2k94 h GLU 20 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2k94 h GLU 20 CO 0.03 0.11 -0.24 1.49 -0.73 0.00 0.00 179.01 179.67 2k94 h GLU 21 N 0.00 -0.63 -6.17 1.92 4.22 -1.81 -3.43 114.58 108.68 2k94 h GLU 21 Ca -0.00 0.04 -0.73 0.00 0.08 0.00 0.00 59.36 58.75 2k94 h GLU 21 Cb 0.84 0.14 0.03 0.00 0.50 0.00 0.00 28.75 30.26 2k94 h GLU 21 CO 0.01 -0.36 0.71 0.28 -2.18 0.00 0.00 179.01 177.48 2k94 n VAL 22 N -5.23 0.18 -4.40 0.32 0.31 -1.24 -4.94 118.33 103.33 2k94 n VAL 22 Ca -0.09 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 63.99 2k94 n VAL 22 Cb 0.29 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.16 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 3.77 0.00 -0.06 2.52 -2.24 -1.26 -5.02 114.28 111.98 2k94 n THR 23 Ca 0.24 -2.10 -0.10 0.00 -2.27 0.00 0.00 64.05 59.82 2k94 n THR 23 Cb 0.14 0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 69.02 2k94 n THR 23 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k94 n ASN 24 N -1.64 0.49 -3.69 3.42 4.13 -1.26 -1.33 115.26 115.38 2k94 n ASN 24 Ca -0.03 0.18 -0.34 0.00 1.68 0.00 0.00 54.58 56.08 2k94 n ASN 24 Cb 0.54 0.45 -0.04 0.00 -1.54 0.00 0.00 39.78 39.18 2k94 n ASN 24 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2k94 n ASN 25 N -2.91 4.82 -0.72 6.41 2.85 -1.26 -3.98 115.26 120.46 2k94 n ASN 25 Ca -0.26 -3.42 0.00 0.00 -0.11 0.00 0.00 54.58 50.79 2k94 n ASN 25 Cb 1.11 -0.93 0.00 0.00 1.24 0.00 0.00 39.78 41.20 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k94 n ALA 26 N 1.12 0.00 -3.66 5.20 0.00 -1.26 -5.08 120.51 116.82 2k94 n ALA 26 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 2k94 n ALA 26 Cb 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.12 -0.01 0.00 0.00 0.15 -1.26 -4.57 113.70 107.88 2k94 s SER 27 Ca 0.00 0.81 0.04 0.00 0.70 0.00 0.00 55.95 57.50 2k94 s SER 27 Cb 0.00 1.02 0.14 0.00 -1.71 0.00 0.00 66.02 65.48 2k94 s SER 27 CO 0.00 -0.23 1.11 0.33 1.20 0.00 0.00 173.24 175.65 2k94 n PHE 28 N 5.29 0.12 -0.11 3.44 7.35 6.20 -1.50 117.46 138.26 2k94 n PHE 28 Ca -0.09 -0.06 -0.15 0.00 -0.76 0.00 0.00 57.45 56.39 2k94 n PHE 28 Cb 0.50 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.19 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 -0.23 1.47 0.08 -2.13 0.31 -1.09 -1.61 118.33 115.13 2k94 n VAL 29 Ca 0.04 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2k94 n VAL 29 Cb 0.08 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 -3.08 0.00 -0.28 5.55 1.02 -1.21 -3.96 120.64 118.68 2k94 n GLU 30 Ca -0.40 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.01 2k94 n GLU 30 Cb 1.05 -0.21 0.49 0.00 -0.02 0.00 0.00 31.44 32.76 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 -3.33 0.28 -0.04 1.62 -0.08 -0.56 -0.61 116.55 113.83 2k94 n ASP 31 Ca 0.00 1.43 -0.03 0.00 -1.51 0.00 0.00 54.79 54.68 2k94 n ASP 31 Cb 0.05 -0.69 -0.07 0.00 2.34 0.00 0.00 41.12 42.75 2k94 n ASP 31 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k94 n LEU 32 N -4.96 0.00 -2.17 -2.67 4.32 -0.64 -4.95 117.00 105.93 2k94 n LEU 32 Ca 0.32 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 56.25 2k94 n LEU 32 Cb 1.09 0.19 0.03 0.00 -1.62 0.00 0.00 43.42 43.10 2k94 n LEU 32 CO 0.00 0.19 0.01 0.61 -1.22 0.00 0.00 177.39 176.99 2k94 n GLY 33 N 2.36 0.10 3.43 -0.72 0.00 0.22 -4.97 105.19 105.60 2k94 n GLY 33 Ca -0.13 0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.15 3.24 0.96 4.61 0.00 -0.64 -4.96 121.76 121.82 2k94 s ALA 34 Ca 0.17 -2.09 -0.10 0.00 0.00 0.00 0.00 51.96 49.94 2k94 s ALA 34 Cb -0.02 -3.78 0.16 0.00 0.00 0.00 0.00 23.12 19.48 2k94 s ALA 34 CO 0.29 -2.67 0.36 -0.40 0.00 0.00 0.00 175.76 173.34 2k94 n ASP 35 N 7.13 -2.68 0.00 0.00 5.75 -1.26 -4.06 116.55 121.43 2k94 n ASP 35 Ca -0.02 -0.37 0.09 0.00 -0.01 0.00 0.00 54.79 54.49 2k94 n ASP 35 Cb 0.45 -0.54 0.48 0.00 -1.03 0.00 0.00 41.12 40.48 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 -2.39 0.00 -0.11 -1.12 3.41 -1.26 -0.68 113.62 111.47 2k94 n SER 36 Ca 0.06 0.05 -0.13 0.00 -0.26 0.00 0.00 58.87 58.59 2k94 n SER 36 Cb 0.25 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.30 1.27 0.05 1.04 4.32 -1.26 -3.92 117.00 117.20 2k94 n LEU 37 Ca 0.09 -0.04 -0.12 0.00 -0.02 0.00 0.00 56.01 55.92 2k94 n LEU 37 Cb 0.16 -0.11 -0.13 0.00 -1.62 0.00 0.00 43.42 41.72 2k94 n LEU 37 CO 0.15 0.68 -0.20 -0.78 -1.22 0.00 0.00 177.39 176.02 2k94 h ASP 38 N 0.00 0.18 0.31 -1.43 1.82 -1.77 -3.07 116.42 112.46 2k94 h ASP 38 Ca -0.55 -0.24 -0.08 0.00 -0.39 0.00 0.00 57.03 55.77 2k94 h ASP 38 Cb 2.10 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 42.04 2k94 h ASP 38 CO -0.02 1.20 -0.36 0.74 -1.61 0.00 0.00 179.24 179.19 2k94 h THR 39 N 0.03 1.27 0.00 2.25 2.02 -1.05 -2.54 112.91 114.90 2k94 h THR 39 Ca -0.17 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.72 2k94 h THR 39 Cb 1.93 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 2k94 h THR 39 CO 0.14 0.37 0.00 0.52 0.37 0.00 0.00 175.52 176.92 2k94 n VAL 40 N -4.10 0.00 -0.62 3.16 0.31 -1.24 -3.00 118.33 112.85 2k94 n VAL 40 Ca -0.02 0.69 0.48 0.00 -0.01 0.00 0.00 64.34 65.49 2k94 n VAL 40 Cb 0.41 -1.57 0.74 0.00 -0.91 0.00 0.00 33.84 32.51 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 -1.74 0.00 0.34 5.55 1.02 -1.16 0.82 120.64 125.47 2k94 n GLU 41 Ca 0.00 1.04 -0.16 0.00 -0.02 0.00 0.00 57.16 58.02 2k94 n GLU 41 Cb 0.00 -2.43 -0.08 0.00 -0.02 0.00 0.00 31.44 28.91 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 -0.75 0.10 -4.62 7.12 -1.49 -1.54 115.31 114.13 2k94 h LEU 42 Ca 0.85 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.84 2k94 h LEU 42 Cb 3.54 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 43.87 2k94 h LEU 42 CO -0.01 -0.42 -0.05 0.58 -0.13 0.00 0.00 178.44 178.42 2k94 h VAL 43 N -1.08 1.07 -1.02 1.05 2.07 0.51 -2.50 116.25 116.35 2k94 h VAL 43 Ca -0.09 -1.33 0.36 0.00 0.82 0.00 0.00 66.70 66.45 2k94 h VAL 43 Cb 0.72 1.84 -0.16 0.00 -1.52 0.00 0.00 31.29 32.17 2k94 h VAL 43 CO 0.15 0.29 0.57 -0.03 0.02 0.00 0.00 177.57 178.57 2k94 h MET 44 N -0.82 0.21 0.03 1.57 4.05 -0.35 0.54 114.93 120.16 2k94 h MET 44 Ca -0.01 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2k94 h MET 44 Cb 0.58 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2k94 h MET 44 CO 0.02 0.14 -0.01 0.00 0.23 0.00 0.00 176.91 177.28 2k94 h ALA 45 N 1.88 -0.04 -0.88 0.39 0.00 -1.28 -3.18 119.26 116.15 2k94 h ALA 45 Ca 0.77 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 55.53 2k94 h ALA 45 Cb 1.90 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 2k94 h ALA 45 CO -0.65 -0.25 0.51 -0.07 0.00 0.00 0.00 179.25 178.80 2k94 h LEU 46 N -0.58 0.73 -2.02 0.00 3.38 0.22 0.99 115.31 118.03 2k94 h LEU 46 Ca -0.00 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2k94 h LEU 46 Cb 0.54 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2k94 h LEU 46 CO 0.01 0.39 0.39 -0.33 0.09 0.00 0.00 178.44 178.99 2k94 h GLU 47 N 0.83 0.00 0.00 1.13 5.08 -0.15 -1.29 114.58 120.18 2k94 h GLU 47 Ca 0.44 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.48 2k94 h GLU 47 Cb 0.44 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 2k94 h GLU 47 CO -0.27 0.00 -2.21 -1.91 -1.00 0.00 0.00 179.01 173.62 2k94 n GLU 48 N -3.69 0.87 -0.32 2.33 2.13 0.10 0.15 120.64 122.22 2k94 n GLU 48 Ca 0.06 0.06 0.16 0.00 0.66 0.00 0.00 57.16 58.10 2k94 n GLU 48 Cb 0.55 -1.44 0.33 0.00 0.27 0.00 0.00 31.44 31.15 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 0.09 0.00 5.31 4.57 0.20 0.19 114.58 124.94 2k94 h GLU 49 Ca -0.48 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2k94 h GLU 49 Cb 1.91 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.46 2k94 h GLU 49 CO -0.03 0.06 -0.32 0.34 -1.18 0.00 0.00 179.01 177.89 2k94 n PHE 50 N -5.34 0.00 -3.71 0.92 -0.00 -1.06 -5.01 117.46 103.26 2k94 n PHE 50 Ca 0.24 -1.23 -0.29 0.00 -0.00 0.00 0.00 57.45 56.17 2k94 n PHE 50 Cb 0.80 -0.20 0.01 0.00 -0.00 0.00 0.00 39.48 40.09 2k94 n PHE 50 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2k94 n ASP 51 N -1.17 -5.06 -3.71 -2.13 5.68 0.66 -4.98 116.55 105.85 2k94 n ASP 51 Ca 0.17 -0.72 -0.11 0.00 -0.50 0.00 0.00 54.79 53.62 2k94 n ASP 51 Cb 0.69 -1.68 -0.12 0.00 -1.14 0.00 0.00 41.12 38.86 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2k94 s THR 52 N -2.54 -0.06 -0.46 2.12 -1.32 0.39 -4.97 115.64 108.80 2k94 s THR 52 Ca 0.12 0.13 -0.24 0.00 -1.21 0.00 0.00 61.69 60.49 2k94 s THR 52 Cb -0.01 -0.49 0.03 0.00 -1.51 0.00 0.00 72.50 70.51 2k94 s THR 52 CO 0.89 0.05 0.82 -1.61 -2.21 0.00 0.00 174.62 172.57 2k94 s GLU 53 N 1.40 3.42 0.02 7.08 2.02 -1.26 -4.17 118.70 127.20 2k94 s GLU 53 Ca -0.09 -0.08 -0.29 0.00 0.02 0.00 0.00 54.97 54.53 2k94 s GLU 53 Cb -0.10 -3.95 -0.04 0.00 0.10 0.00 0.00 34.13 30.14 2k94 s GLU 53 CO -0.11 -1.18 0.91 -1.50 0.02 0.00 0.00 175.26 173.41 2k94 s ILE 54 N 3.43 4.81 0.81 -1.63 -1.16 -1.26 -5.05 121.20 121.15 2k94 s ILE 54 Ca 0.31 1.93 -0.14 0.00 -0.51 0.00 0.00 60.65 62.24 2k94 s ILE 54 Cb -0.12 -4.26 0.20 0.00 0.61 0.00 0.00 42.46 38.89 2k94 s ILE 54 CO 0.23 0.23 0.80 -0.81 -2.81 0.00 0.00 174.94 172.57 2k94 n PRO 55 N 3.55 -2.09 0.01 3.50 -0.04 -1.26 -4.96 135.00 133.71 2k94 n PRO 55 Ca 0.03 -1.26 -0.22 0.00 -0.04 0.00 0.00 63.50 62.01 2k94 n PRO 55 Cb 0.51 -1.09 -0.14 0.00 -0.04 0.00 0.00 33.50 32.74 2k94 n PRO 55 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k94 h ASP 56 N -1.95 0.39 0.50 3.54 1.82 -1.97 -3.20 116.42 115.55 2k94 h ASP 56 Ca -0.29 -0.86 -0.01 0.00 -0.39 0.00 0.00 57.03 55.48 2k94 h ASP 56 Cb 0.86 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 2k94 h ASP 56 CO 0.19 1.65 -0.49 -0.33 -1.61 0.00 0.00 179.24 178.64 2k94 h GLU 57 N -0.27 -0.95 0.00 0.28 5.08 -2.04 0.37 114.58 117.05 2k94 h GLU 57 Ca -0.32 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2k94 h GLU 57 Cb 1.79 0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2k94 h GLU 57 CO 0.06 -0.63 0.06 1.49 -1.00 0.00 0.00 179.01 178.99 2k94 h GLU 58 N -0.99 0.00 -1.94 2.33 4.81 -1.97 -2.67 114.58 114.15 2k94 h GLU 58 Ca -0.06 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.82 2k94 h GLU 58 Cb 0.85 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.11 2k94 h GLU 58 CO -0.06 0.00 0.12 0.00 -0.73 0.00 0.00 179.01 178.35 2k94 n ALA 59 N -1.85 6.12 0.00 2.92 0.00 0.12 -3.83 120.51 123.99 2k94 n ALA 59 Ca -0.02 -2.31 0.00 0.00 0.00 0.00 0.00 53.44 51.11 2k94 n ALA 59 Cb 0.11 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2k94 n ALA 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k94 n GLU 60 N 1.36 0.00 0.00 0.00 0.28 -1.01 -4.70 120.64 116.58 2k94 n GLU 60 Ca 0.42 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.55 2k94 n GLU 60 Cb 0.67 -0.83 0.44 0.00 1.43 0.00 0.00 31.44 33.14 2k94 n GLU 60 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2k94 n LYS 61 N -2.42 0.05 -0.86 3.44 5.02 -1.25 -4.30 118.16 117.84 2k94 n LYS 61 Ca 0.00 -0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.10 2k94 n LYS 61 Cb 0.41 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.46 2.69 0.25 -0.18 5.41 -1.26 -3.70 119.36 121.10 2k94 n ILE 62 Ca 0.07 -1.47 0.03 0.00 1.00 0.00 0.00 62.75 62.38 2k94 n ILE 62 Cb 0.33 -2.07 -0.04 0.00 -0.71 0.00 0.00 39.64 37.15 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 3.12 0.00 -2.88 1.39 -2.24 -1.26 -4.95 114.28 107.46 2k94 n THR 63 Ca 0.44 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2k94 n THR 63 Cb 0.50 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.31 0.00 0.00 4.28 -2.24 -1.24 0.96 114.28 114.73 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 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 -4.23 118.33 115.13 2k94 n VAL 65 Ca 0.00 0.08 0.28 0.00 -0.01 0.00 0.00 64.34 64.70 2k94 n VAL 65 Cb 0.00 -0.61 0.51 0.00 -0.91 0.00 0.00 33.84 32.84 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 -1.14 -0.05 -0.08 5.55 7.27 -0.44 -0.61 117.38 127.88 2k94 n GLN 66 Ca 0.00 1.15 -0.02 0.00 0.07 0.00 0.00 57.00 58.20 2k94 n GLN 66 Cb 0.00 -2.10 -0.02 0.00 2.41 0.00 0.00 30.24 30.53 2k94 n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k94 h ALA 67 N 1.64 -0.16 -0.61 1.69 0.00 -1.79 0.63 119.26 120.66 2k94 h ALA 67 Ca 0.73 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.78 2k94 h ALA 67 Cb 2.00 1.03 -0.09 0.00 0.00 0.00 0.00 17.79 20.73 2k94 h ALA 67 CO -0.61 -0.24 0.08 0.00 0.00 0.00 0.00 179.25 178.48 2k94 h ALA 68 N -0.74 0.67 -0.60 0.00 0.00 -1.03 0.51 119.26 118.07 2k94 h ALA 68 Ca 0.03 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.22 2k94 h ALA 68 Cb 0.09 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 2k94 h ALA 68 CO -0.18 -0.35 0.07 0.82 0.00 0.00 0.00 179.25 179.60 2k94 h ILE 69 N 0.19 0.57 -0.70 0.00 5.03 -0.60 0.77 117.51 122.78 2k94 h ILE 69 Ca 0.32 -0.06 -0.05 0.00 -0.12 0.00 0.00 64.86 64.95 2k94 h ILE 69 Cb 0.50 0.37 -0.03 0.00 -3.03 0.00 0.00 36.82 34.63 2k94 h ILE 69 CO -0.46 0.03 0.24 0.44 -0.68 0.00 0.00 178.15 177.73 2k94 h ASP 70 N 0.19 0.98 -0.15 1.72 3.32 0.22 0.76 116.42 123.46 2k94 h ASP 70 Ca 0.32 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2k94 h ASP 70 Cb 0.50 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2k94 h ASP 70 CO -0.46 0.90 -0.02 0.22 -1.72 0.00 0.00 179.24 178.16 2k94 h TYR 71 N 1.02 0.31 -0.09 4.55 3.20 0.93 -2.95 116.97 123.95 2k94 h TYR 71 Ca 0.23 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 2k94 h TYR 71 Cb 0.26 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2k94 h TYR 71 CO 0.02 0.54 -0.45 0.82 -1.64 0.00 0.00 178.16 177.44 2k94 h ILE 72 N -0.01 1.33 0.00 1.81 1.08 0.65 0.64 117.51 123.01 2k94 h ILE 72 Ca 0.04 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.90 2k94 h ILE 72 Cb 0.43 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 2k94 h ILE 72 CO 0.01 0.48 0.00 -3.20 -0.69 0.00 0.00 178.15 174.75 2k94 n ASN 73 N -3.99 0.00 -0.16 1.72 2.85 0.26 -4.49 115.26 111.46 2k94 n ASN 73 Ca -0.02 1.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.45 2k94 n ASN 73 Cb 0.50 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 41.03 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 -1.00 -1.36 1.83 8.20 0.00 -1.15 -4.86 105.19 106.86 2k94 n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -4.67 -1.13 1.61 1.44 0.22 -4.58 115.22 108.12 2k94 n HIS 75 Ca 0.00 2.50 -0.54 0.00 -2.01 0.00 0.00 57.72 57.67 2k94 n HIS 75 Cb 0.55 -3.61 -0.11 0.00 0.12 0.00 0.00 29.99 26.94 2k94 n HIS 75 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2k94 n GLN 76 N 0.74 0.00 0.00 -1.40 1.13 -1.26 -4.96 117.38 111.63 2k94 n GLN 76 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2k94 n GLN 76 Cb 0.00 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62