#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k94 s THR 2 N 0.00 2.31 0.20 2.46 -4.23 -1.26 -4.79 115.64 110.34 2k94 s THR 2 Ca 0.00 0.15 -0.21 0.00 -1.18 0.00 0.00 61.69 60.45 2k94 s THR 2 Cb 0.00 -2.74 0.15 0.00 1.34 0.00 0.00 72.50 71.25 2k94 s THR 2 CO 0.00 -0.08 1.56 -0.29 -0.54 0.00 0.00 174.62 175.27 2k94 h ILE 3 N -0.26 0.05 -0.36 2.99 -0.00 -1.92 1.24 117.51 119.26 2k94 h ILE 3 Ca -0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.37 2k94 h ILE 3 Cb 1.30 0.05 -0.02 0.00 -0.00 0.00 0.00 36.82 38.15 2k94 h ILE 3 CO 0.50 0.00 0.18 1.05 -0.00 0.00 0.00 178.15 179.88 2k94 h GLU 4 N -0.07 0.49 -0.72 2.19 9.09 -1.90 -3.02 114.58 120.64 2k94 h GLU 4 Ca 0.27 -0.05 0.07 0.00 0.05 0.00 0.00 59.36 59.70 2k94 h GLU 4 Cb 0.56 -0.10 -0.09 0.00 -1.65 0.00 0.00 28.75 27.47 2k94 h GLU 4 CO -0.87 0.37 -0.45 1.49 0.05 0.00 0.00 179.01 179.60 2k94 h GLU 5 N 0.50 -0.04 -0.90 1.06 4.81 0.13 1.52 114.58 121.66 2k94 h GLU 5 Ca 0.13 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.48 2k94 h GLU 5 Cb 0.04 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 2k94 h GLU 5 CO -0.02 -0.02 0.52 0.00 -0.73 0.00 0.00 179.01 178.76 2k94 h ARG 6 N -0.04 0.80 0.46 1.92 3.08 -1.40 -1.29 114.38 117.91 2k94 h ARG 6 Ca 0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2k94 h ARG 6 Cb 0.34 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2k94 h ARG 6 CO -0.70 0.53 -0.22 0.28 -1.07 0.00 0.00 179.97 178.79 2k94 h VAL 7 N 0.82 0.54 -0.57 2.04 2.07 0.21 -3.04 116.25 118.32 2k94 h VAL 7 Ca 0.45 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.88 2k94 h VAL 7 Cb 0.49 0.63 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 2k94 h VAL 7 CO -0.28 0.04 -0.26 0.11 0.02 0.00 0.00 177.57 177.19 2k94 h LYS 8 N -0.73 -0.11 0.00 1.57 1.79 0.25 0.12 116.57 119.46 2k94 h LYS 8 Ca -0.06 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2k94 h LYS 8 Cb 0.53 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2k94 h LYS 8 CO 0.10 -0.08 0.00 1.63 -1.08 0.00 0.00 179.45 180.03 2k94 n LYS 9 N -5.43 0.00 -0.28 3.15 5.02 -0.55 0.11 118.16 120.18 2k94 n LYS 9 Ca 0.05 0.43 0.02 0.00 -2.02 0.00 0.00 58.31 56.79 2k94 n LYS 9 Cb 0.34 -0.94 0.09 0.00 -0.02 0.00 0.00 35.03 34.51 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 0.21 0.00 -0.18 5.03 -1.48 0.51 117.51 121.61 2k94 h ILE 10 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 2k94 h ILE 10 Cb 0.00 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 34.00 2k94 h ILE 10 CO 0.00 0.00 0.00 -0.38 -0.68 0.00 0.00 178.15 177.09 2k94 n ILE 11 N -5.51 0.00 -0.34 -0.67 2.08 0.42 0.55 119.36 115.87 2k94 n ILE 11 Ca 0.11 0.91 0.22 0.00 0.56 0.00 0.00 62.75 64.55 2k94 n ILE 11 Cb 0.40 -1.53 0.47 0.00 -0.75 0.00 0.00 39.64 38.23 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 1.66 0.00 7.39 0.00 -0.05 -1.80 103.07 110.27 2k94 h GLY 12 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2k94 h GLY 12 CO 0.00 -0.27 0.00 -1.06 0.00 0.00 0.00 176.54 175.21 2k94 n GLN 13 N -4.81 0.00 -0.32 4.80 3.00 0.18 0.15 117.38 120.37 2k94 n GLN 13 Ca 0.28 0.25 0.10 0.00 -0.01 0.00 0.00 57.00 57.62 2k94 n GLN 13 Cb 0.89 -1.10 0.21 0.00 0.00 0.00 0.00 30.24 30.24 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 -0.97 -0.08 0.19 -1.09 6.02 0.19 0.82 117.38 122.46 2k94 n GLN 14 Ca 0.00 1.39 -0.14 0.00 -0.01 0.00 0.00 57.00 58.24 2k94 n GLN 14 Cb 0.00 -2.16 -0.07 0.00 1.02 0.00 0.00 30.24 29.03 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 -0.53 0.00 1.08 7.12 -1.08 -3.48 115.31 118.42 2k94 h LEU 15 Ca 0.50 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.55 2k94 h LEU 15 Cb 0.94 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 2k94 h LEU 15 CO -0.90 -0.32 0.00 0.61 -0.13 0.00 0.00 178.44 177.70 2k94 n GLY 16 N -1.33 1.32 2.95 3.75 0.00 0.39 -5.09 105.19 107.18 2k94 n GLY 16 Ca -0.09 0.00 -0.11 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 -2.00 0.14 0.62 1.61 -7.23 0.73 -5.01 120.40 109.26 2k94 s VAL 17 Ca 0.00 -0.60 -0.18 0.00 -1.81 0.00 0.00 61.98 59.39 2k94 s VAL 17 Cb 0.00 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 2k94 s VAL 17 CO 0.00 -0.29 0.95 2.29 -0.31 0.00 0.00 175.10 177.74 2k94 n LYS 18 N 2.14 0.82 0.34 4.82 2.85 -1.26 -3.83 118.16 124.04 2k94 n LYS 18 Ca -0.19 0.33 0.20 0.00 -1.05 0.00 0.00 58.31 57.59 2k94 n LYS 18 Cb 0.57 -2.16 1.08 0.00 -0.65 0.00 0.00 35.03 33.86 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 0.36 0.00 -0.09 -1.58 -0.00 -1.90 0.27 115.11 112.17 2k94 h GLN 19 Ca -0.48 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 57.94 2k94 h GLN 19 Cb 1.36 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.86 2k94 h GLN 19 CO 0.50 0.00 -0.83 1.49 -0.00 0.00 0.00 178.83 179.99 2k94 h GLU 20 N 0.00 0.73 -0.54 0.06 4.81 -1.97 -3.24 114.58 114.42 2k94 h GLU 20 Ca 0.00 -0.66 -0.02 0.00 -0.13 0.00 0.00 59.36 58.56 2k94 h GLU 20 Cb 0.24 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2k94 h GLU 20 CO -0.00 1.26 0.27 1.49 -0.73 0.00 0.00 179.01 181.29 2k94 h GLU 21 N 0.42 0.78 -6.17 1.92 4.22 -1.27 -3.43 114.58 111.05 2k94 h GLU 21 Ca -0.08 -0.11 -0.73 0.00 0.08 0.00 0.00 59.36 58.52 2k94 h GLU 21 Cb 1.47 -0.14 0.04 0.00 0.50 0.00 0.00 28.75 30.62 2k94 h GLU 21 CO 0.17 0.63 0.57 0.28 -2.18 0.00 0.00 179.01 178.48 2k94 n VAL 22 N -4.58 0.10 -2.11 0.32 0.31 -1.07 -4.95 118.33 106.35 2k94 n VAL 22 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2k94 n VAL 22 Cb 0.11 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 3.18 0.00 0.06 2.52 -2.24 -1.26 -4.99 114.28 111.55 2k94 n THR 23 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2k94 n THR 23 Cb 0.13 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 -2.70 0.88 -0.04 3.42 4.13 -1.26 -2.81 115.26 116.88 2k94 n ASN 24 Ca 0.00 0.19 -0.16 0.00 1.68 0.00 0.00 54.58 56.30 2k94 n ASN 24 Cb 0.00 -0.21 -0.07 0.00 -1.54 0.00 0.00 39.78 37.96 2k94 n ASN 24 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2k94 h ASN 25 N 0.00 0.73 -1.79 6.41 -0.73 -1.99 -3.24 115.58 114.98 2k94 h ASN 25 Ca 0.00 -0.60 -0.50 0.00 1.87 0.00 0.00 56.30 57.07 2k94 h ASN 25 Cb 0.00 -0.21 0.24 0.00 0.27 0.00 0.00 38.32 38.62 2k94 h ASN 25 CO 0.00 1.20 -1.93 0.00 -0.37 0.00 0.00 177.43 176.33 2k94 n ALA 26 N -2.55 -5.04 -2.96 1.57 0.00 -1.26 -4.98 120.51 105.29 2k94 n ALA 26 Ca -0.07 -1.13 -0.30 0.00 0.00 0.00 0.00 53.44 51.94 2k94 n ALA 26 Cb 0.60 -1.15 -0.17 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.30 2.87 -0.00 0.00 0.15 -1.26 -4.50 113.70 109.66 2k94 s SER 27 Ca 0.44 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.63 2k94 s SER 27 Cb -0.04 -0.99 0.10 0.00 -1.71 0.00 0.00 66.02 63.37 2k94 s SER 27 CO 0.70 0.19 1.05 0.49 1.20 0.00 0.00 173.24 176.87 2k94 n PHE 28 N 3.22 0.16 -0.08 3.44 3.01 0.84 -2.35 117.46 125.68 2k94 n PHE 28 Ca -0.18 -0.08 -0.12 0.00 1.01 0.00 0.00 57.45 58.08 2k94 n PHE 28 Cb 0.52 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.93 2k94 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k94 h VAL 29 N 0.64 0.39 0.00 -4.37 2.07 -1.87 -2.20 116.25 110.91 2k94 h VAL 29 Ca 0.00 -1.49 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 2k94 h VAL 29 Cb 0.19 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2k94 h VAL 29 CO 0.01 0.13 -1.03 -0.62 0.02 0.00 0.00 177.57 176.08 2k94 n GLU 30 N -4.55 0.24 -0.07 1.57 1.02 -1.25 -3.27 120.64 114.34 2k94 n GLU 30 Ca -0.17 0.10 -0.02 0.00 -0.02 0.00 0.00 57.16 57.05 2k94 n GLU 30 Cb 0.43 -0.91 -0.02 0.00 -0.02 0.00 0.00 31.44 30.92 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 -3.72 -0.17 0.11 1.62 -0.08 -0.99 -1.38 116.55 111.93 2k94 n ASP 31 Ca -0.14 0.94 -0.19 0.00 -1.51 0.00 0.00 54.79 53.89 2k94 n ASP 31 Cb 0.44 -0.36 -0.13 0.00 2.34 0.00 0.00 41.12 43.41 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 0.60 -2.86 -2.67 -0.00 -1.74 -3.50 115.31 105.15 2k94 h LEU 32 Ca 0.03 -0.61 0.00 0.00 -0.00 0.00 0.00 57.88 57.30 2k94 h LEU 32 Cb 0.07 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 2k94 h LEU 32 CO -0.15 1.46 0.00 0.61 -0.00 0.00 0.00 178.44 180.35 2k94 n GLY 33 N 1.48 -0.54 3.16 0.83 0.00 -0.48 -5.02 105.19 104.63 2k94 n GLY 33 Ca -0.11 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.42 3.09 0.92 4.61 0.00 -0.83 -5.00 121.76 123.14 2k94 s ALA 34 Ca 0.00 -2.25 -0.09 0.00 0.00 0.00 0.00 51.96 49.62 2k94 s ALA 34 Cb 0.00 -2.33 0.14 0.00 0.00 0.00 0.00 23.12 20.93 2k94 s ALA 34 CO 0.00 -1.63 0.32 -0.40 0.00 0.00 0.00 175.76 174.06 2k94 n ASP 35 N 4.66 -2.52 -0.06 0.00 5.68 -1.26 -4.37 116.55 118.68 2k94 n ASP 35 Ca -0.07 -0.33 0.09 0.00 -0.50 0.00 0.00 54.79 53.98 2k94 n ASP 35 Cb 0.42 -0.48 0.49 0.00 -1.14 0.00 0.00 41.12 40.40 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 -2.27 0.17 -0.06 -1.12 3.41 -1.26 -1.78 113.62 110.70 2k94 n SER 36 Ca 0.05 -1.50 -0.04 0.00 -0.26 0.00 0.00 58.87 57.12 2k94 n SER 36 Cb 0.23 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.65 0.00 -0.03 1.04 4.32 -1.26 -3.95 117.00 116.47 2k94 n LEU 37 Ca 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.10 2k94 n LEU 37 Cb 0.08 0.29 -0.13 0.00 -1.62 0.00 0.00 43.42 42.04 2k94 n LEU 37 CO 0.10 0.29 -0.72 -0.67 -1.22 0.00 0.00 177.39 175.17 2k94 n ASP 38 N -2.45 0.38 0.00 -1.43 4.64 -1.17 -3.93 116.55 112.60 2k94 n ASP 38 Ca -0.20 0.17 -0.12 0.00 -1.38 0.00 0.00 54.79 53.27 2k94 n ASP 38 Cb 0.86 0.80 -0.09 0.00 -1.04 0.00 0.00 41.12 41.65 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 0.00 1.16 0.00 5.18 2.02 -1.55 -3.08 112.91 116.64 2k94 h THR 39 Ca -0.28 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.48 2k94 h THR 39 Cb 1.75 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 2k94 h THR 39 CO 0.03 0.32 0.00 0.52 0.37 0.00 0.00 175.52 176.76 2k94 n VAL 40 N -4.83 0.00 -0.65 3.16 0.31 -1.25 -0.81 118.33 114.26 2k94 n VAL 40 Ca -0.08 1.39 0.49 0.00 -0.01 0.00 0.00 64.34 66.13 2k94 n VAL 40 Cb 0.30 -2.17 0.76 0.00 -0.91 0.00 0.00 33.84 31.82 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 -2.05 0.00 0.32 5.55 1.02 -1.25 0.26 120.64 124.48 2k94 n GLU 41 Ca 0.00 1.01 -0.12 0.00 -0.02 0.00 0.00 57.16 58.03 2k94 n GLU 41 Cb 0.00 -2.34 -0.06 0.00 -0.02 0.00 0.00 31.44 29.02 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 -0.69 0.32 -4.62 5.85 -0.87 -2.41 115.31 112.89 2k94 h LEU 42 Ca 0.87 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.59 2k94 h LEU 42 Cb 3.52 0.18 0.00 0.00 0.37 0.00 0.00 40.66 44.73 2k94 h LEU 42 CO -0.01 -0.45 -0.15 0.58 -0.34 0.00 0.00 178.44 178.06 2k94 h VAL 43 N -0.89 0.71 -0.89 1.05 2.07 0.35 -2.52 116.25 116.12 2k94 h VAL 43 Ca -0.08 -0.30 0.37 0.00 0.82 0.00 0.00 66.70 67.51 2k94 h VAL 43 Cb 0.62 0.87 -0.16 0.00 -1.52 0.00 0.00 31.29 31.10 2k94 h VAL 43 CO 0.14 0.06 0.46 0.80 0.02 0.00 0.00 177.57 179.05 2k94 n MET 44 N -5.21 -0.05 0.15 1.57 0.00 0.13 0.54 117.12 114.24 2k94 n MET 44 Ca -0.10 1.24 -0.11 0.00 0.00 0.00 0.00 57.70 58.73 2k94 n MET 44 Cb 0.23 -2.21 -0.07 0.00 0.00 0.00 0.00 33.22 31.17 2k94 n MET 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k94 h ALA 45 N 1.79 -0.44 -0.97 -5.12 0.00 -1.09 -3.11 119.26 110.32 2k94 h ALA 45 Ca 0.75 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.78 2k94 h ALA 45 Cb 1.98 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 19.79 2k94 h ALA 45 CO -0.69 -0.48 0.44 -0.07 0.00 0.00 0.00 179.25 178.44 2k94 h LEU 46 N -0.96 0.30 0.08 0.00 4.07 0.51 1.22 115.31 120.53 2k94 h LEU 46 Ca -0.04 0.20 0.02 0.00 0.08 0.00 0.00 57.88 58.14 2k94 h LEU 46 Cb 0.51 0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.41 2k94 h LEU 46 CO 0.07 -0.17 -0.29 -0.33 -1.08 0.00 0.00 178.44 176.65 2k94 h GLU 47 N 0.25 -0.46 -0.20 1.13 5.08 -0.91 -2.35 114.58 117.12 2k94 h GLU 47 Ca 0.68 0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.91 2k94 h GLU 47 Cb 1.52 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 2k94 h GLU 47 CO -0.65 -0.31 -0.55 1.49 -1.00 0.00 0.00 179.01 178.00 2k94 h GLU 48 N -0.48 0.61 -0.81 2.33 4.81 -0.47 1.11 114.58 121.68 2k94 h GLU 48 Ca 0.04 -0.38 0.07 0.00 -0.13 0.00 0.00 59.36 58.96 2k94 h GLU 48 Cb 0.53 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.85 2k94 h GLU 48 CO -0.19 0.99 -0.48 -1.91 -0.73 0.00 0.00 179.01 176.69 2k94 n GLU 49 N -3.97 -0.36 -0.68 1.92 4.07 0.38 -0.39 120.64 121.62 2k94 n GLU 49 Ca -0.03 1.41 0.08 0.00 -0.06 0.00 0.00 57.16 58.55 2k94 n GLU 49 Cb 0.61 -2.08 0.34 0.00 -0.06 0.00 0.00 31.44 30.25 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 -4.84 1.54 -3.00 4.31 7.35 -1.03 -5.01 117.46 116.79 2k94 n PHE 50 Ca 0.02 -0.78 -0.00 0.00 -0.76 0.00 0.00 57.45 55.93 2k94 n PHE 50 Cb 0.21 -0.41 -0.00 0.00 0.35 0.00 0.00 39.48 39.64 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 0.17 -7.12 -3.64 -2.13 2.03 0.48 -5.03 116.55 101.31 2k94 n ASP 51 Ca 0.25 0.83 -0.03 0.00 0.52 0.00 0.00 54.79 56.35 2k94 n ASP 51 Cb 1.04 -3.10 -0.07 0.00 -0.72 0.00 0.00 41.12 38.27 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 -1.24 0.00 -0.50 5.18 -1.32 0.36 -4.96 115.64 113.17 2k94 s THR 52 Ca -0.00 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.28 2k94 s THR 52 Cb 0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 2k94 s THR 52 CO 0.32 0.00 0.68 -0.70 -2.21 0.00 0.00 174.62 172.71 2k94 s GLU 53 N 0.69 3.19 0.01 7.08 2.12 -1.26 -4.25 118.70 126.28 2k94 s GLU 53 Ca -0.02 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 2k94 s GLU 53 Cb -0.04 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.24 2k94 s GLU 53 CO -0.12 -1.22 1.31 -1.50 -0.54 0.00 0.00 175.26 173.20 2k94 s ILE 54 N 2.88 3.85 0.86 -3.70 -1.16 -1.26 -5.01 121.20 117.66 2k94 s ILE 54 Ca 0.19 1.26 -0.12 0.00 -0.51 0.00 0.00 60.65 61.47 2k94 s ILE 54 Cb -0.17 -3.81 0.10 0.00 0.61 0.00 0.00 42.46 39.20 2k94 s ILE 54 CO 0.14 0.03 1.10 -2.16 -2.81 0.00 0.00 174.94 171.24 2k94 s PRO 55 N 1.95 1.59 0.00 3.50 0.04 -1.26 -4.93 135.00 135.90 2k94 s PRO 55 Ca 0.61 0.70 0.31 0.00 0.04 0.00 0.00 61.00 62.66 2k94 s PRO 55 Cb -0.30 -1.86 1.80 0.00 0.04 0.00 0.00 34.50 34.18 2k94 s PRO 55 CO 0.26 -1.98 2.15 -3.47 0.04 0.00 0.00 177.00 174.01 2k94 n ASP 56 N -3.69 0.00 0.01 6.66 -0.08 -1.26 -2.68 116.55 115.52 2k94 n ASP 56 Ca 0.07 -0.87 0.11 0.00 -1.51 0.00 0.00 54.79 52.59 2k94 n ASP 56 Cb 0.56 -0.03 -0.10 0.00 2.34 0.00 0.00 41.12 43.89 2k94 n ASP 56 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2k94 n GLU 57 N -1.03 0.44 -0.04 -0.67 0.28 -1.26 -4.26 120.64 114.10 2k94 n GLU 57 Ca 0.22 -0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 57.01 2k94 n GLU 57 Cb 0.12 -1.57 -0.14 0.00 1.43 0.00 0.00 31.44 31.28 2k94 n GLU 57 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2k94 n GLU 58 N -2.09 0.68 -0.55 3.44 2.13 -1.09 -4.09 120.64 119.07 2k94 n GLU 58 Ca -0.01 0.23 0.46 0.00 0.66 0.00 0.00 57.16 58.50 2k94 n GLU 58 Cb 0.49 -1.70 0.74 0.00 0.27 0.00 0.00 31.44 31.24 2k94 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k94 h ALA 59 N 0.65 3.58 -0.94 4.31 0.00 -1.72 0.43 119.26 125.58 2k94 h ALA 59 Ca -0.39 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 54.74 2k94 h ALA 59 Cb 2.05 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 19.81 2k94 h ALA 59 CO 0.06 -2.16 0.31 1.49 0.00 0.00 0.00 179.25 178.94 2k94 h GLU 60 N 0.00 0.17 -2.02 0.00 4.81 -1.81 0.28 114.58 116.01 2k94 h GLU 60 Ca 0.80 -0.01 -0.75 0.00 -0.13 0.00 0.00 59.36 59.27 2k94 h GLU 60 Cb 3.39 -0.04 -0.30 0.00 0.63 0.00 0.00 28.75 32.43 2k94 h GLU 60 CO -0.01 0.11 0.73 1.63 -0.73 0.00 0.00 179.01 180.75 2k94 n LYS 61 N -5.23 3.58 -2.51 1.92 5.02 0.15 -4.44 118.16 116.65 2k94 n LYS 61 Ca 0.26 -4.03 -0.01 0.00 -2.02 0.00 0.00 58.31 52.51 2k94 n LYS 61 Cb 0.83 -2.32 0.07 0.00 -0.02 0.00 0.00 35.03 33.59 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 -0.39 0.56 0.68 -0.18 5.41 0.99 -3.72 119.36 122.71 2k94 n ILE 62 Ca 0.49 -1.77 0.08 0.00 1.00 0.00 0.00 62.75 62.55 2k94 n ILE 62 Cb 0.30 1.10 -0.10 0.00 -0.71 0.00 0.00 39.64 40.23 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 -0.84 0.00 -3.75 1.39 5.66 -1.26 -4.89 114.28 110.60 2k94 n THR 63 Ca -0.06 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2k94 n THR 63 Cb 0.85 0.86 0.00 0.00 -1.55 0.00 0.00 70.33 70.49 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 -1.52 0.00 0.00 1.09 -2.24 -1.26 -0.11 114.28 110.24 2k94 n THR 64 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 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 -0.33 2.28 0.31 -1.26 -2.97 118.33 116.36 2k94 n VAL 65 Ca 0.00 0.61 0.23 0.00 -0.01 0.00 0.00 64.34 65.17 2k94 n VAL 65 Cb 0.00 -1.51 0.43 0.00 -0.91 0.00 0.00 33.84 31.85 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 -1.82 -0.07 -0.12 5.55 7.27 -1.12 0.15 117.38 127.22 2k94 n GLN 66 Ca 0.00 1.43 -0.04 0.00 0.07 0.00 0.00 57.00 58.46 2k94 n GLN 66 Cb 0.00 -2.42 0.03 0.00 2.41 0.00 0.00 30.24 30.26 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 1.99 0.40 -0.69 1.69 0.00 -1.76 0.18 119.26 121.07 2k94 h ALA 67 Ca 0.72 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.91 2k94 h ALA 67 Cb 1.72 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 2k94 h ALA 67 CO -0.86 -0.37 0.48 0.00 0.00 0.00 0.00 179.25 178.51 2k94 h ALA 68 N 1.34 2.44 -0.01 0.00 0.00 0.15 -0.60 119.26 122.57 2k94 h ALA 68 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2k94 h ALA 68 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k94 h ALA 68 CO -0.30 -0.64 -0.11 0.82 0.00 0.00 0.00 179.25 179.02 2k94 h ILE 69 N 0.15 1.54 -0.28 0.00 1.08 -0.39 -2.73 117.51 116.88 2k94 h ILE 69 Ca 0.34 -1.75 0.08 0.00 -0.39 0.00 0.00 64.86 63.14 2k94 h ILE 69 Cb 1.12 2.67 -0.01 0.00 -3.07 0.00 0.00 36.82 37.53 2k94 h ILE 69 CO -0.05 0.47 0.32 0.44 -0.69 0.00 0.00 178.15 178.64 2k94 h ASP 70 N -0.58 0.00 0.16 1.72 3.32 0.36 1.37 116.42 122.77 2k94 h ASP 70 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2k94 h ASP 70 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2k94 h ASP 70 CO 0.02 0.00 -0.08 0.22 -1.72 0.00 0.00 179.24 177.68 2k94 h TYR 71 N 0.00 -0.20 0.00 4.55 3.20 -1.19 -3.28 116.97 120.05 2k94 h TYR 71 Ca 0.13 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2k94 h TYR 71 Cb 0.77 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2k94 h TYR 71 CO 0.00 0.02 0.00 0.82 -1.64 0.00 0.00 178.16 177.36 2k94 h ILE 72 N -1.02 0.00 0.05 1.81 1.08 -1.06 -1.34 117.51 117.03 2k94 h ILE 72 Ca -0.02 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2k94 h ILE 72 Cb 0.31 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 2k94 h ILE 72 CO 0.04 0.00 -0.18 -1.13 -0.69 0.00 0.00 178.15 176.19 2k94 h ASN 73 N 0.00 -0.53 0.00 1.72 -0.73 0.18 -3.43 115.58 112.79 2k94 h ASN 73 Ca 0.00 0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.17 2k94 h ASN 73 Cb 0.44 0.19 -0.05 0.00 0.27 0.00 0.00 38.32 39.16 2k94 h ASN 73 CO 0.00 -0.19 -0.12 0.61 -0.37 0.00 0.00 177.43 177.36 2k94 n GLY 74 N -1.16 0.49 2.93 1.57 0.00 -1.23 -4.94 105.19 102.84 2k94 n GLY 74 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 3.51 -4.24 1.61 -0.00 -0.51 -4.94 115.22 110.65 2k94 n HIS 75 Ca -0.12 -2.92 -0.28 0.00 0.46 0.00 0.00 57.72 54.86 2k94 n HIS 75 Cb 0.50 -2.27 -0.09 0.00 -0.12 0.00 0.00 29.99 28.00 2k94 n HIS 75 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 2k94 s GLN 76 N 1.95 2.15 0.00 1.57 -1.52 -1.26 -4.87 119.66 117.68 2k94 s GLN 76 Ca 0.44 -1.10 0.12 0.00 -1.95 0.00 0.00 55.36 52.87 2k94 s GLN 76 Cb 0.10 -2.27 0.09 0.00 -0.22 0.00 0.00 33.01 30.71 2k94 s GLN 76 CO -0.03 0.48 0.88 0.00 -0.25 0.00 0.00 175.29 176.37