#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k93 h GLU 6 N 0.00 0.66 0.13 -0.78 5.08 -2.04 -0.83 114.58 116.80 1k93 h GLU 6 Ca 0.00 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 58.02 1k93 h GLU 6 Cb 0.00 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 29.13 1k93 h GLU 6 CO 0.00 0.44 -1.24 0.93 -1.00 0.00 0.00 179.01 178.14 1k93 h GLU 7 N 0.68 0.61 -0.76 2.33 5.08 -2.05 0.37 114.58 120.86 1k93 h GLU 7 Ca 0.26 -0.83 0.17 0.00 -1.00 0.00 0.00 59.36 57.96 1k93 h GLU 7 Cb 0.16 0.28 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 1k93 h GLU 7 CO -0.07 1.38 0.10 1.96 -1.00 0.00 0.00 179.01 181.37 1k93 h GLN 8 N 0.25 0.17 0.12 2.33 1.08 -1.71 0.61 115.11 117.95 1k93 h GLN 8 Ca -0.19 -0.01 -0.27 0.00 -1.45 0.00 0.00 58.65 56.73 1k93 h GLN 8 Cb 1.91 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.31 1k93 h GLN 8 CO 0.24 0.11 -1.23 0.82 -0.95 0.00 0.00 178.83 177.81 1k93 h ILE 9 N 0.17 1.51 -0.66 2.54 2.04 -1.19 -3.30 117.51 118.63 1k93 h ILE 9 Ca 0.43 -3.09 0.03 0.00 1.00 0.00 0.00 64.86 63.23 1k93 h ILE 9 Cb 0.77 2.93 -0.04 0.00 -0.74 0.00 0.00 36.82 39.74 1k93 h ILE 9 CO -0.60 0.90 0.43 0.00 0.00 0.00 0.00 178.15 178.88 1k93 h ALA 10 N 0.62 1.63 0.01 1.87 0.00 0.32 -1.73 119.26 121.98 1k93 h ALA 10 Ca -0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1k93 h ALA 10 Cb 1.96 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1k93 h ALA 10 CO 0.19 0.30 -0.00 0.93 0.00 0.00 0.00 179.25 180.67 1k93 h GLU 11 N 0.79 -0.01 0.68 0.00 5.08 -0.05 -1.22 114.58 119.85 1k93 h GLU 11 Ca 0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1k93 h GLU 11 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1k93 h GLU 11 CO -0.07 0.48 -0.39 0.74 -1.00 0.00 0.00 179.01 178.77 1k93 h PHE 12 N -0.51 -1.03 -0.02 4.33 0.04 -1.60 -1.06 116.94 117.10 1k93 h PHE 12 Ca -0.00 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1k93 h PHE 12 Cb 0.50 0.36 -0.00 0.00 2.20 0.00 0.00 35.95 39.01 1k93 h PHE 12 CO 0.10 -0.60 0.15 -0.22 -0.60 0.00 0.00 178.31 177.13 1k93 h LYS 13 N -1.00 0.00 -0.08 1.51 3.64 -1.41 -1.32 116.57 117.90 1k93 h LYS 13 Ca -0.09 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 1k93 h LYS 13 Cb 0.80 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1k93 h LYS 13 CO 0.11 0.00 -0.54 1.49 -2.27 0.00 0.00 179.45 178.24 1k93 h GLU 14 N 0.00 0.51 -0.13 1.90 4.22 0.02 -3.28 114.58 117.82 1k93 h GLU 14 Ca 0.01 -0.44 -0.14 0.00 0.08 0.00 0.00 59.36 58.87 1k93 h GLU 14 Cb 0.30 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1k93 h GLU 14 CO -0.00 1.07 -0.52 0.00 -2.18 0.00 0.00 179.01 177.38 1k93 h ALA 15 N 0.45 0.87 -1.11 2.92 0.00 -0.35 -3.23 119.26 118.80 1k93 h ALA 15 Ca -0.04 -0.49 0.31 0.00 0.00 0.00 0.00 54.91 54.69 1k93 h ALA 15 Cb 1.19 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1k93 h ALA 15 CO 0.11 0.68 0.78 0.35 0.00 0.00 0.00 179.25 181.17 1k93 h PHE 16 N 0.28 0.18 -0.03 0.00 3.57 -1.51 0.13 116.94 119.56 1k93 h PHE 16 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1k93 h PHE 16 Cb 1.01 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1k93 h PHE 16 CO 0.03 0.01 0.00 0.43 -2.23 0.00 0.00 178.31 176.55 1k93 n SER 17 N -4.31 0.68 0.01 0.41 7.64 -1.22 -3.95 113.62 112.88 1k93 n SER 17 Ca 0.25 -1.34 -0.02 0.00 1.01 0.00 0.00 58.87 58.77 1k93 n SER 17 Cb 1.12 -0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 64.20 1k93 n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1k93 n LEU 18 N -0.42 0.75 -3.19 -3.43 4.77 0.46 -4.73 117.00 111.20 1k93 n LEU 18 Ca 0.19 0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 56.31 1k93 n LEU 18 Cb 0.20 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1k93 n LEU 18 CO 0.15 0.21 -0.25 0.33 -1.33 0.00 0.00 177.39 176.50 1k93 n PHE 19 N -2.87 0.02 -3.38 -1.77 -0.00 -1.25 -5.04 117.46 103.16 1k93 n PHE 19 Ca -0.13 -3.73 -0.25 0.00 -0.00 0.00 0.00 57.45 53.34 1k93 n PHE 19 Cb 0.89 -0.40 -0.10 0.00 -0.00 0.00 0.00 39.48 39.88 1k93 n PHE 19 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1k93 s ASP 20 N -2.00 1.78 0.00 -2.13 3.68 -1.26 -4.97 116.67 111.78 1k93 s ASP 20 Ca 0.38 -2.52 -0.03 0.00 2.13 0.00 0.00 52.55 52.52 1k93 s ASP 20 Cb 0.29 -0.19 -0.12 0.00 -1.45 0.00 0.00 42.92 41.45 1k93 s ASP 20 CO -0.09 -0.22 2.13 1.17 0.13 0.00 0.00 175.17 178.29 1k93 n LYS 21 N 3.44 1.08 0.00 4.34 0.00 -1.26 -2.43 118.16 123.33 1k93 n LYS 21 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 58.31 58.06 1k93 n LYS 21 Cb 0.44 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.83 1k93 n LYS 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1k93 n ASP 22 N 2.42 1.48 0.00 3.14 4.64 -1.26 -5.04 116.55 121.93 1k93 n ASP 22 Ca 0.20 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.61 1k93 n ASP 22 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 1k93 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1k93 n GLY 23 N 2.72 3.12 1.60 0.27 0.00 -1.02 -4.84 105.19 107.03 1k93 n GLY 23 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1k93 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k93 n ASP 24 N 0.00 4.76 -3.81 1.61 8.00 -1.26 -4.93 116.55 120.92 1k93 n ASP 24 Ca 0.00 -2.65 -0.27 0.00 0.71 0.00 0.00 54.79 52.58 1k93 n ASP 24 Cb 0.00 -0.62 0.01 0.00 -0.02 0.00 0.00 41.12 40.49 1k93 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k93 n GLY 25 N 0.71 -0.52 2.24 0.44 0.00 -1.26 -4.92 105.19 101.86 1k93 n GLY 25 Ca 0.23 0.26 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 1k93 n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k93 n THR 26 N -4.30 -0.32 -0.86 2.61 -2.24 -1.24 -3.69 114.28 104.24 1k93 n THR 26 Ca -0.23 -4.14 -0.28 0.00 -2.27 0.00 0.00 64.05 57.13 1k93 n THR 26 Cb 0.65 -0.63 0.21 0.00 -2.10 0.00 0.00 70.33 68.46 1k93 n THR 26 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1k93 s ILE 27 N -1.79 2.05 0.48 2.28 -4.36 0.94 -4.22 121.20 116.58 1k93 s ILE 27 Ca 0.37 0.02 0.07 0.00 -0.26 0.00 0.00 60.65 60.85 1k93 s ILE 27 Cb 0.29 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.74 1k93 s ILE 27 CO -0.09 -0.02 0.66 0.42 0.24 0.00 0.00 174.94 176.15 1k93 s THR 28 N -2.72 2.76 -1.84 8.37 -4.23 -1.26 0.22 115.64 116.94 1k93 s THR 28 Ca 0.67 -0.93 0.26 0.00 -1.18 0.00 0.00 61.69 60.51 1k93 s THR 28 Cb -0.22 -2.83 0.66 0.00 1.34 0.00 0.00 72.50 71.45 1k93 s THR 28 CO 0.61 0.00 1.89 0.41 -0.54 0.00 0.00 174.62 176.99 1k93 n THR 29 N -2.04 0.06 0.06 3.99 -1.04 -1.16 -2.21 114.28 111.93 1k93 n THR 29 Ca 0.10 0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 62.02 1k93 n THR 29 Cb 0.60 -0.60 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1k93 n THR 29 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1k93 h LYS 30 N 0.00 0.37 -0.01 -2.82 1.57 -1.93 -3.27 116.57 110.48 1k93 h LYS 30 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1k93 h LYS 30 Cb 0.06 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1k93 h LYS 30 CO 0.00 0.98 -0.50 -0.85 -0.57 0.00 0.00 179.45 178.51 1k93 n GLU 31 N -3.80 1.65 -0.32 3.15 0.28 -1.03 -4.47 120.64 116.10 1k93 n GLU 31 Ca -0.05 -0.53 0.08 0.00 -0.16 0.00 0.00 57.16 56.51 1k93 n GLU 31 Cb 0.74 -1.29 0.25 0.00 1.43 0.00 0.00 31.44 32.57 1k93 n GLU 31 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1k93 h LEU 32 N 1.18 0.66 -0.66 -1.84 5.85 -1.49 0.39 115.31 119.41 1k93 h LEU 32 Ca 0.00 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 1k93 h LEU 32 Cb 0.50 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1k93 h LEU 32 CO 0.00 0.28 -0.67 1.23 -0.34 0.00 0.00 178.44 178.94 1k93 h GLY 33 N 0.72 0.01 1.13 3.75 0.00 -1.78 -1.61 103.07 105.28 1k93 h GLY 33 Ca 0.50 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.75 1k93 h GLY 33 CO -0.35 0.02 0.20 -0.84 0.00 0.00 0.00 176.54 175.57 1k93 h THR 34 N 0.01 1.26 0.08 4.70 2.02 -0.58 -2.52 112.91 117.87 1k93 h THR 34 Ca -0.01 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1k93 h THR 34 Cb 1.19 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1k93 h THR 34 CO 0.09 0.35 -0.04 0.58 0.37 0.00 0.00 175.52 176.87 1k93 h VAL 35 N 1.04 1.10 -0.10 3.16 2.07 -0.76 -2.60 116.25 120.16 1k93 h VAL 35 Ca 0.23 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1k93 h VAL 35 Cb 0.31 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1k93 h VAL 35 CO -0.01 0.32 0.31 0.24 0.02 0.00 0.00 177.57 178.46 1k93 h MET 36 N -0.87 0.00 0.07 1.57 2.86 -1.31 -1.77 114.93 115.48 1k93 h MET 36 Ca -0.01 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.28 1k93 h MET 36 Cb 0.60 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1k93 h MET 36 CO 0.02 0.00 -1.99 0.54 1.06 0.00 0.00 176.91 176.54 1k93 n ARG 37 N -3.17 0.69 0.00 1.72 1.74 -0.95 -1.19 116.66 115.49 1k93 n ARG 37 Ca 0.00 0.30 0.05 0.00 -0.77 0.00 0.00 57.85 57.43 1k93 n ARG 37 Cb 0.40 -1.67 0.20 0.00 -1.02 0.00 0.00 32.46 30.38 1k93 n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1k93 n SER 38 N -3.69 0.00 -1.41 0.55 3.41 -0.92 -1.52 113.62 110.04 1k93 n SER 38 Ca -0.36 0.47 -0.03 0.00 -0.26 0.00 0.00 58.87 58.69 1k93 n SER 38 Cb 0.95 -0.48 0.25 0.00 -0.26 0.00 0.00 64.21 64.67 1k93 n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1k93 n LEU 39 N -1.48 4.84 -1.09 1.04 7.94 -0.71 -4.96 117.00 122.57 1k93 n LEU 39 Ca 0.02 -3.38 -0.05 0.00 -1.11 0.00 0.00 56.01 51.49 1k93 n LEU 39 Cb 0.11 -0.66 0.01 0.00 0.53 0.00 0.00 43.42 43.41 1k93 n LEU 39 CO 0.09 0.94 0.04 0.61 -1.11 0.00 0.00 177.39 177.95 1k93 n GLY 40 N -0.68 0.55 3.10 -3.96 0.00 -0.57 -5.01 105.19 98.62 1k93 n GLY 40 Ca 0.34 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1k93 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k93 s GLN 41 N -5.12 0.33 -0.62 1.61 -0.21 -0.34 -5.00 119.66 110.31 1k93 s GLN 41 Ca 0.11 0.09 0.06 0.00 0.02 0.00 0.00 55.36 55.63 1k93 s GLN 41 Cb -0.05 0.15 0.21 0.00 1.00 0.00 0.00 33.01 34.32 1k93 s GLN 41 CO 0.14 -0.06 0.58 0.09 -2.12 0.00 0.00 175.29 173.92 1k93 n ASN 42 N 2.48 2.63 -4.77 5.90 3.02 -1.26 -3.02 115.26 120.25 1k93 n ASN 42 Ca -0.16 -3.16 -0.34 0.00 -0.03 0.00 0.00 54.58 50.89 1k93 n ASN 42 Cb 0.58 -0.69 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1k93 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1k93 s PRO 43 N -1.67 2.98 0.17 3.52 0.04 -1.26 -5.03 135.00 133.74 1k93 s PRO 43 Ca 0.33 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 1k93 s PRO 43 Cb 0.06 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 1k93 s PRO 43 CO -0.11 -1.14 0.55 0.95 0.04 0.00 0.00 177.00 177.30 1k93 s THR 44 N -2.05 4.86 0.53 1.26 -4.23 -1.26 -4.95 115.64 109.81 1k93 s THR 44 Ca 0.70 0.77 0.33 0.00 -1.18 0.00 0.00 61.69 62.32 1k93 s THR 44 Cb -0.23 -3.71 0.51 0.00 1.34 0.00 0.00 72.50 70.41 1k93 s THR 44 CO 0.36 0.18 1.85 -0.33 -0.54 0.00 0.00 174.62 176.13 1k93 h GLU 45 N 3.34 0.02 -0.36 3.99 4.39 -1.99 0.13 114.58 124.10 1k93 h GLU 45 Ca -0.48 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.08 1k93 h GLU 45 Cb 1.19 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1k93 h GLU 45 CO 0.66 0.01 -0.33 0.00 -1.16 0.00 0.00 179.01 178.20 1k93 h ALA 46 N 1.49 0.74 -0.16 3.43 0.00 -2.00 -3.12 119.26 119.63 1k93 h ALA 46 Ca 0.49 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1k93 h ALA 46 Cb 1.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1k93 h ALA 46 CO -0.02 0.66 -0.72 0.93 0.00 0.00 0.00 179.25 180.11 1k93 h GLU 47 N 0.67 0.71 0.00 0.00 5.08 -1.15 -2.50 114.58 117.39 1k93 h GLU 47 Ca 0.07 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1k93 h GLU 47 Cb 0.87 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1k93 h GLU 47 CO 0.08 1.17 0.00 1.28 -1.00 0.00 0.00 179.01 180.53 1k93 n LEU 48 N -3.93 0.59 -0.12 1.33 4.77 -0.85 -2.99 117.00 115.81 1k93 n LEU 48 Ca -0.06 0.73 -0.23 0.00 -0.03 0.00 0.00 56.01 56.42 1k93 n LEU 48 Cb 0.71 -0.74 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 1k93 n LEU 48 CO 0.51 -0.81 -1.12 0.00 -1.33 0.00 0.00 177.39 174.64 1k93 n GLN 49 N -2.24 0.57 0.28 3.23 1.13 -1.11 -3.81 117.38 115.43 1k93 n GLN 49 Ca -0.00 0.30 0.14 0.00 -1.94 0.00 0.00 57.00 55.50 1k93 n GLN 49 Cb 0.10 -1.52 0.84 0.00 0.11 0.00 0.00 30.24 29.78 1k93 n GLN 49 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1k93 h ASP 50 N -1.00 0.00 0.00 1.08 3.04 -1.49 -3.02 116.42 115.04 1k93 h ASP 50 Ca -0.47 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.28 1k93 h ASP 50 Cb 1.39 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.67 1k93 h ASP 50 CO -0.28 0.05 -0.29 0.24 -2.04 0.00 0.00 179.24 176.92 1k93 h MET 51 N 0.00 0.00 -0.01 4.15 2.86 -1.77 -3.30 114.93 116.86 1k93 h MET 51 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1k93 h MET 51 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1k93 h MET 51 CO 0.01 0.69 0.00 1.51 1.06 0.00 0.00 176.91 180.18 1k93 n ILE 52 N -4.61 0.00 -0.05 -1.22 0.13 -1.16 -1.96 119.36 110.49 1k93 n ILE 52 Ca -0.12 0.00 -0.06 0.00 -1.10 0.00 0.00 62.75 61.47 1k93 n ILE 52 Cb 0.39 -0.39 -0.05 0.00 -0.84 0.00 0.00 39.64 38.75 1k93 n ILE 52 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1k93 n ASN 53 N -0.45 3.16 0.01 9.51 5.15 -1.15 -4.27 115.26 127.22 1k93 n ASN 53 Ca 0.00 -0.04 -0.01 0.00 -0.60 0.00 0.00 54.58 53.94 1k93 n ASN 53 Cb 0.00 0.14 -0.00 0.00 -0.53 0.00 0.00 39.78 39.39 1k93 n ASN 53 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1k93 h GLU 54 N 0.00 -0.05 0.13 1.20 4.81 -1.47 -3.28 114.58 115.93 1k93 h GLU 54 Ca -0.22 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1k93 h GLU 54 Cb 1.40 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1k93 h GLU 54 CO -0.02 -0.03 -0.06 -0.24 -0.73 0.00 0.00 179.01 177.92 1k93 h VAL 55 N -0.31 0.89 -1.46 0.32 3.04 -1.86 -3.21 116.25 113.65 1k93 h VAL 55 Ca -0.01 -0.09 -0.76 0.00 -1.01 0.00 0.00 66.70 64.83 1k93 h VAL 55 Cb 0.04 0.95 -0.16 0.00 -2.01 0.00 0.00 31.29 30.11 1k93 h VAL 55 CO 0.01 0.02 2.05 -0.67 -1.01 0.00 0.00 177.57 177.97 1k93 n ASP 56 N -5.15 7.02 -1.18 3.17 4.64 -1.26 -4.60 116.55 119.19 1k93 n ASP 56 Ca -0.08 -3.21 0.04 0.00 -1.38 0.00 0.00 54.79 50.16 1k93 n ASP 56 Cb 0.11 -1.37 0.22 0.00 -1.04 0.00 0.00 41.12 39.04 1k93 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1k93 n ALA 57 N 2.11 3.12 -0.13 -1.67 0.00 -1.22 -4.32 120.51 118.40 1k93 n ALA 57 Ca 0.52 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.90 1k93 n ALA 57 Cb 0.29 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.72 1k93 n ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1k93 h ASP 58 N 2.26 0.24 0.00 0.00 3.58 -1.89 -3.47 116.42 117.13 1k93 h ASP 58 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1k93 h ASP 58 Cb 1.18 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1k93 h ASP 58 CO 0.22 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.37 1k93 n GLY 59 N -1.23 1.00 0.32 -0.78 0.00 -1.26 -4.97 105.19 98.26 1k93 n GLY 59 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1k93 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k93 n ASN 60 N 0.01 2.21 0.00 1.61 4.13 -1.26 -5.03 115.26 116.93 1k93 n ASN 60 Ca 0.00 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1k93 n ASN 60 Cb 0.00 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1k93 n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k93 n GLY 61 N 2.80 0.59 3.63 7.41 0.00 -1.26 -5.05 105.19 113.32 1k93 n GLY 61 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1k93 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k93 s THR 62 N -2.34 5.01 -0.17 2.61 -4.23 -1.26 -3.00 115.64 112.26 1k93 s THR 62 Ca 0.00 1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.57 1k93 s THR 62 Cb 0.00 -3.92 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 1k93 s THR 62 CO 0.00 0.06 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.50 1k93 s ILE 63 N 2.32 4.10 0.00 2.99 1.09 0.61 -4.88 121.20 127.43 1k93 s ILE 63 Ca 0.26 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.53 1k93 s ILE 63 Cb -0.16 -2.82 0.00 0.00 -1.06 0.00 0.00 42.46 38.43 1k93 s ILE 63 CO 0.09 0.48 0.00 -0.90 -0.10 0.00 0.00 174.94 174.51 1k93 n ASP 64 N 3.60 0.88 0.29 3.58 5.68 -1.25 -0.04 116.55 129.30 1k93 n ASP 64 Ca -0.17 -0.24 -0.12 0.00 -0.50 0.00 0.00 54.79 53.76 1k93 n ASP 64 Cb 0.52 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.45 1k93 n ASP 64 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1k93 h PHE 65 N 0.11 -0.72 -0.99 2.11 -1.00 -1.92 -1.36 116.94 113.15 1k93 h PHE 65 Ca 0.00 -0.02 0.35 0.00 2.81 0.00 0.00 57.97 61.11 1k93 h PHE 65 Cb 0.00 0.24 -0.16 0.00 3.61 0.00 0.00 35.95 39.64 1k93 h PHE 65 CO 0.00 -0.45 0.52 -1.35 -1.61 0.00 0.00 178.31 175.42 1k93 h PRO 66 N -1.12 0.19 0.18 1.51 0.11 -1.97 1.03 132.00 131.93 1k93 h PRO 66 Ca -0.08 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1k93 h PRO 66 Cb 0.60 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1k93 h PRO 66 CO 0.13 0.13 -0.09 0.93 -0.21 0.00 0.00 178.00 178.89 1k93 h GLU 67 N 0.20 -0.23 -0.55 1.05 5.08 -1.96 -2.63 114.58 115.54 1k93 h GLU 67 Ca 0.76 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 59.13 1k93 h GLU 67 Cb 1.81 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 1k93 h GLU 67 CO -0.68 0.17 0.34 0.35 -1.00 0.00 0.00 179.01 178.19 1k93 h PHE 68 N -0.88 0.72 -0.28 4.33 3.57 0.01 -1.64 116.94 122.76 1k93 h PHE 68 Ca -0.02 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1k93 h PHE 68 Cb 0.51 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1k93 h PHE 68 CO 0.08 0.49 0.06 -0.07 -2.23 0.00 0.00 178.31 176.64 1k93 h LEU 69 N 0.74 0.03 -1.34 0.59 3.38 0.94 -1.45 115.31 118.19 1k93 h LEU 69 Ca 0.20 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1k93 h LEU 69 Cb -0.02 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1k93 h LEU 69 CO -0.04 0.05 0.01 0.74 0.09 0.00 0.00 178.44 179.29 1k93 h THR 70 N 0.17 1.17 0.28 0.22 2.02 -1.16 0.78 112.91 116.39 1k93 h THR 70 Ca 0.13 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1k93 h THR 70 Cb 0.13 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1k93 h THR 70 CO -0.17 0.23 -0.13 0.24 0.37 0.00 0.00 175.52 176.06 1k93 h MET 71 N 0.43 -0.36 -0.03 6.66 2.86 -0.63 -2.00 114.93 121.87 1k93 h MET 71 Ca 0.10 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1k93 h MET 71 Cb 0.27 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1k93 h MET 71 CO 0.01 -0.07 0.03 0.52 1.06 0.00 0.00 176.91 178.45 1k93 h MET 72 N -0.64 0.00 -2.35 1.72 2.86 -1.09 -2.92 114.93 112.52 1k93 h MET 72 Ca -0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1k93 h MET 72 Cb 0.45 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1k93 h MET 72 CO 0.06 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.03 1k93 n ALA 73 N -2.39 3.76 0.14 6.32 0.00 0.25 -2.74 120.51 125.86 1k93 n ALA 73 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1k93 n ALA 73 Cb 0.11 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1k93 n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k93 n ARG 74 N 2.50 0.00 -0.02 0.00 3.00 -1.10 -4.95 116.66 116.09 1k93 n ARG 74 Ca 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.95 1k93 n ARG 74 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.90 1k93 n ARG 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1k93 h LYS 75 N 0.00 -0.27 -2.25 -0.14 3.11 -1.61 -2.90 116.57 112.50 1k93 h LYS 75 Ca 0.00 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1k93 h LYS 75 Cb 0.00 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1k93 h LYS 75 CO 0.00 -0.18 0.09 -1.33 -2.81 0.00 0.00 179.45 175.22 1k93 n MET 76 N -5.37 0.37 -0.08 1.90 2.81 -1.19 -3.64 117.12 111.91 1k93 n MET 76 Ca -0.02 -0.10 -0.16 0.00 -1.81 0.00 0.00 57.70 55.62 1k93 n MET 76 Cb 0.29 -1.46 -0.05 0.00 -0.71 0.00 0.00 33.22 31.28 1k93 n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1k93 n LYS 77 N 2.21 0.41 -0.09 0.03 3.00 -1.10 -4.56 118.16 118.06 1k93 n LYS 77 Ca 0.04 0.17 -0.09 0.00 -0.00 0.00 0.00 58.31 58.43 1k93 n LYS 77 Cb 0.18 -1.19 -0.14 0.00 0.00 0.00 0.00 35.03 33.87 1k93 n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1k93 n ASP 78 N -4.00 0.65 0.25 3.14 -0.08 -1.24 -4.42 116.55 110.84 1k93 n ASP 78 Ca -0.29 -0.01 0.09 0.00 -1.51 0.00 0.00 54.79 53.08 1k93 n ASP 78 Cb 0.63 0.88 0.63 0.00 2.34 0.00 0.00 41.12 45.61 1k93 n ASP 78 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k93 h THR 79 N 0.00 0.82 0.00 5.18 1.03 -1.87 -3.02 112.91 115.04 1k93 h THR 79 Ca -0.49 -0.57 0.00 0.00 -0.01 0.00 0.00 66.41 65.34 1k93 h THR 79 Cb 2.09 1.34 0.00 0.00 -1.07 0.00 0.00 68.15 70.51 1k93 h THR 79 CO 0.02 0.15 0.03 -0.67 -0.01 0.00 0.00 175.52 175.04 1k93 n ASP 80 N -3.94 0.00 0.00 0.00 2.03 -1.26 -3.25 116.55 110.13 1k93 n ASP 80 Ca -0.02 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1k93 n ASP 80 Cb 0.24 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1k93 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1k93 n SER 81 N -1.06 0.00 -0.24 1.67 7.64 -1.14 -3.35 113.62 117.13 1k93 n SER 81 Ca 0.00 0.10 0.23 0.00 1.01 0.00 0.00 58.87 60.21 1k93 n SER 81 Cb 0.03 -0.10 0.42 0.00 -1.01 0.00 0.00 64.21 63.56 1k93 n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1k93 n GLU 82 N -0.98 -0.04 0.11 1.43 2.13 -1.20 0.27 120.64 122.35 1k93 n GLU 82 Ca 0.00 0.95 -0.13 0.00 0.66 0.00 0.00 57.16 58.64 1k93 n GLU 82 Cb 0.05 -1.74 -0.06 0.00 0.27 0.00 0.00 31.44 29.97 1k93 n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1k93 h GLU 83 N 0.00 -0.48 -0.56 5.31 4.39 -1.92 -1.56 114.58 119.76 1k93 h GLU 83 Ca 0.60 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.33 1k93 h GLU 83 Cb 1.65 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.38 1k93 h GLU 83 CO -0.50 -0.32 0.33 0.93 -1.16 0.00 0.00 179.01 178.28 1k93 h GLU 84 N -0.50 0.75 -0.35 2.33 3.07 -0.51 -2.12 114.58 117.25 1k93 h GLU 84 Ca 0.04 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1k93 h GLU 84 Cb 0.54 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1k93 h GLU 84 CO -0.18 0.53 0.19 0.82 -1.40 0.00 0.00 179.01 178.97 1k93 h ILE 85 N 0.76 1.14 -0.72 3.13 2.04 -1.20 0.20 117.51 122.86 1k93 h ILE 85 Ca 0.20 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1k93 h ILE 85 Cb -0.02 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1k93 h ILE 85 CO -0.04 0.15 0.36 -0.09 0.00 0.00 0.00 178.15 178.53 1k93 h ARG 86 N 0.44 1.02 -0.29 2.37 2.43 -0.82 0.97 114.38 120.50 1k93 h ARG 86 Ca 0.12 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1k93 h ARG 86 Cb 0.07 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1k93 h ARG 86 CO -0.02 0.77 -0.36 0.93 -1.51 0.00 0.00 179.97 179.78 1k93 h GLU 87 N 1.02 0.64 0.07 0.20 5.08 -0.88 -2.84 114.58 117.87 1k93 h GLU 87 Ca 0.25 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1k93 h GLU 87 Cb 0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1k93 h GLU 87 CO -0.03 0.91 -0.03 0.00 -1.00 0.00 0.00 179.01 178.85 1k93 h ALA 88 N 1.06 -0.09 -0.67 3.43 0.00 0.38 -2.54 119.26 120.84 1k93 h ALA 88 Ca 0.05 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1k93 h ALA 88 Cb 0.87 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.57 1k93 h ALA 88 CO 0.08 -0.47 -0.26 0.35 0.00 0.00 0.00 179.25 178.94 1k93 h PHE 89 N -0.25 -0.68 -0.22 0.00 3.57 -0.75 0.38 116.94 119.00 1k93 h PHE 89 Ca -0.01 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1k93 h PHE 89 Cb 0.21 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1k93 h PHE 89 CO -0.02 -0.35 0.20 0.00 -2.23 0.00 0.00 178.31 175.91 1k93 h ARG 90 N -0.08 0.00 -0.33 1.11 3.08 -1.22 -0.64 114.38 116.30 1k93 h ARG 90 Ca 0.29 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.26 1k93 h ARG 90 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1k93 h ARG 90 CO -0.72 0.00 -0.10 0.28 -1.07 0.00 0.00 179.97 178.35 1k93 h VAL 91 N 0.00 1.28 -0.10 2.04 2.07 0.15 -3.23 116.25 118.46 1k93 h VAL 91 Ca 0.10 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1k93 h VAL 91 Cb 0.50 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1k93 h VAL 91 CO -0.00 0.38 0.01 -0.26 0.02 0.00 0.00 177.57 177.72 1k93 h PHE 92 N 0.43 0.19 0.00 1.57 -1.00 -0.77 -3.36 116.94 114.00 1k93 h PHE 92 Ca 0.08 -0.03 -0.47 0.00 2.81 0.00 0.00 57.97 60.37 1k93 h PHE 92 Cb 0.61 -0.05 0.08 0.00 3.61 0.00 0.00 35.95 40.20 1k93 h PHE 92 CO 0.05 0.40 1.72 -3.47 -1.61 0.00 0.00 178.31 175.41 1k93 n ASP 93 N -4.83 1.74 0.20 2.17 2.03 -0.77 -4.74 116.55 112.35 1k93 n ASP 93 Ca -0.06 -2.43 0.18 0.00 0.52 0.00 0.00 54.79 53.00 1k93 n ASP 93 Cb 0.19 -0.75 0.77 0.00 -0.72 0.00 0.00 41.12 40.61 1k93 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1k93 h LYS 94 N 8.54 0.00 -0.01 -0.67 1.57 -1.79 -1.14 116.57 123.06 1k93 h LYS 94 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1k93 h LYS 94 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1k93 h LYS 94 CO 1.74 0.00 -0.22 -0.40 -0.57 0.00 0.00 179.45 180.01 1k93 n ASP 95 N -3.36 1.89 -3.41 0.86 5.75 -1.26 -5.01 116.55 112.00 1k93 n ASP 95 Ca 0.03 -1.44 -0.22 0.00 -0.01 0.00 0.00 54.79 53.15 1k93 n ASP 95 Cb 0.52 0.31 0.08 0.00 -1.03 0.00 0.00 41.12 40.99 1k93 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k93 n GLY 96 N 1.07 -0.44 0.05 6.12 0.00 -0.43 -4.88 105.19 106.67 1k93 n GLY 96 Ca 0.08 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.40 1k93 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k93 n ASN 97 N -2.82 0.75 0.00 1.61 6.94 -1.26 -4.93 115.26 115.54 1k93 n ASN 97 Ca -0.04 -0.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.96 1k93 n ASN 97 Cb 0.57 0.44 0.00 0.00 -2.36 0.00 0.00 39.78 38.43 1k93 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k93 n GLY 98 N 1.48 0.67 3.24 4.83 0.00 -1.26 -5.06 105.19 109.09 1k93 n GLY 98 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1k93 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k93 s TYR 99 N -2.37 1.58 -0.27 1.61 1.51 -1.26 -4.19 117.35 113.96 1k93 s TYR 99 Ca 0.00 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.51 1k93 s TYR 99 Cb 0.00 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 1k93 s TYR 99 CO 0.00 0.15 0.19 0.42 -1.11 0.00 0.00 175.55 175.20 1k93 s ILE 100 N -1.21 5.32 0.27 2.71 1.01 0.12 -4.70 121.20 124.72 1k93 s ILE 100 Ca 0.03 0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.94 1k93 s ILE 100 Cb -0.10 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1k93 s ILE 100 CO 0.04 0.27 0.31 -0.94 0.00 0.00 0.00 174.94 174.62 1k93 s SER 101 N 1.58 5.88 0.14 3.58 1.04 -1.26 -1.19 113.70 123.47 1k93 s SER 101 Ca 0.08 -0.14 -0.23 0.00 0.48 0.00 0.00 55.95 56.13 1k93 s SER 101 Cb -0.15 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1k93 s SER 101 CO 0.09 -0.15 1.63 0.00 0.98 0.00 0.00 173.24 175.80 1k93 h ALA 102 N 1.24 -0.18 -0.58 5.32 0.00 -1.94 -0.04 119.26 123.08 1k93 h ALA 102 Ca -0.49 0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.59 1k93 h ALA 102 Cb 1.24 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 19.39 1k93 h ALA 102 CO 0.59 -0.69 -0.25 0.00 0.00 0.00 0.00 179.25 178.90 1k93 h ALA 103 N 0.71 0.15 -0.93 0.00 0.00 -1.98 0.33 119.26 117.54 1k93 h ALA 103 Ca 0.11 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1k93 h ALA 103 Cb 0.45 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1k93 h ALA 103 CO -0.34 -0.57 0.61 0.93 0.00 0.00 0.00 179.25 179.89 1k93 h GLU 104 N -0.11 1.19 -0.72 0.00 5.08 -1.67 -1.11 114.58 117.26 1k93 h GLU 104 Ca 0.26 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1k93 h GLU 104 Cb 0.51 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1k93 h GLU 104 CO -0.65 0.79 0.29 1.25 -1.00 0.00 0.00 179.01 179.69 1k93 h LEU 105 N 1.23 0.97 -0.11 1.33 6.46 0.12 -2.26 115.31 123.05 1k93 h LEU 105 Ca 0.35 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1k93 h LEU 105 Cb -0.09 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.56 1k93 h LEU 105 CO -0.09 0.86 -0.08 -0.09 -0.62 0.00 0.00 178.44 178.42 1k93 h ARG 106 N 1.03 -0.08 0.15 1.25 2.43 0.74 -2.07 114.38 117.83 1k93 h ARG 106 Ca 0.24 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1k93 h ARG 106 Cb 0.19 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1k93 h ARG 106 CO -0.02 -0.06 -0.32 0.45 -1.51 0.00 0.00 179.97 178.52 1k93 h HIS 107 N -0.09 -0.86 -0.94 2.20 3.86 -0.87 0.41 115.15 118.87 1k93 h HIS 107 Ca 0.07 0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.46 1k93 h HIS 107 Cb 0.19 0.36 -0.08 0.00 1.06 0.00 0.00 27.41 28.94 1k93 h HIS 107 CO -0.20 -0.43 0.60 0.28 0.86 0.00 0.00 177.93 179.04 1k93 h VAL 108 N -0.56 0.79 0.35 2.45 2.07 -1.29 -1.10 116.25 118.96 1k93 h VAL 108 Ca 0.02 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1k93 h VAL 108 Cb 0.58 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1k93 h VAL 108 CO -0.16 0.13 -0.17 0.24 0.02 0.00 0.00 177.57 177.63 1k93 h MET 109 N 0.71 -0.45 -0.50 1.57 2.07 -0.63 -2.57 114.93 115.13 1k93 h MET 109 Ca 0.49 0.03 0.15 0.00 -2.07 0.00 0.00 59.70 58.30 1k93 h MET 109 Cb 0.80 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.61 1k93 h MET 109 CO -0.25 -0.30 0.40 1.79 1.07 0.00 0.00 176.91 179.62 1k93 h THR 110 N -0.98 0.63 0.00 2.22 1.35 -0.06 0.10 112.91 116.18 1k93 h THR 110 Ca -0.05 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.66 1k93 h THR 110 Cb 0.36 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 67.47 1k93 h THR 110 CO 0.08 0.00 -0.70 0.78 -0.25 0.00 0.00 175.52 175.43 1k93 h ASN 111 N 0.00 0.00 -0.30 5.36 2.35 -1.26 -3.14 115.58 118.59 1k93 h ASN 111 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1k93 h ASN 111 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1k93 h ASN 111 CO -0.00 0.70 0.00 0.18 -1.65 0.00 0.00 177.43 176.66 1k93 n LEU 112 N -3.29 2.28 0.00 1.61 4.77 0.32 -4.90 117.00 117.78 1k93 n LEU 112 Ca 0.01 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1k93 n LEU 112 Cb 0.81 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1k93 n LEU 112 CO 0.43 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1k93 n GLY 113 N 0.74 3.22 3.47 -0.72 0.00 -1.06 -5.01 105.19 105.83 1k93 n GLY 113 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1k93 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k93 s GLU 114 N -0.74 3.86 0.07 1.61 2.56 -1.00 -4.96 118.70 120.10 1k93 s GLU 114 Ca 0.00 -2.14 -0.30 0.00 0.00 0.00 0.00 54.97 52.52 1k93 s GLU 114 Cb 0.00 -5.04 -0.09 0.00 2.00 0.00 0.00 34.13 30.99 1k93 s GLU 114 CO 0.00 -1.82 1.90 0.15 -0.56 0.00 0.00 175.26 174.93 1k93 s LYS 115 N 2.34 4.14 0.18 4.30 -0.14 -1.26 -3.64 119.74 125.66 1k93 s LYS 115 Ca 0.39 2.59 0.10 0.00 -1.36 0.00 0.00 55.97 57.69 1k93 s LYS 115 Cb -0.03 -3.94 -0.04 0.00 -1.68 0.00 0.00 37.83 32.14 1k93 s LYS 115 CO -0.04 -0.91 -0.22 -0.51 -0.76 0.00 0.00 175.35 172.92 1k93 s LEU 116 N 3.79 2.43 0.27 3.17 1.43 -1.26 -5.02 118.68 123.50 1k93 s LEU 116 Ca 0.85 -0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 1k93 s LEU 116 Cb -0.43 -1.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.66 1k93 s LEU 116 CO 0.39 0.06 0.72 0.42 0.23 0.00 0.00 176.35 178.17 1k93 s THR 117 N -1.81 4.64 0.56 5.49 -4.23 -1.26 -4.93 115.64 114.11 1k93 s THR 117 Ca 0.19 1.07 0.35 0.00 -1.18 0.00 0.00 61.69 62.11 1k93 s THR 117 Cb -0.07 -3.71 0.35 0.00 1.34 0.00 0.00 72.50 70.40 1k93 s THR 117 CO 0.09 -0.01 2.06 0.44 -0.54 0.00 0.00 174.62 176.66 1k93 h ASP 118 N 2.77 0.00 0.26 3.99 3.45 -2.00 -0.98 116.42 123.90 1k93 h ASP 118 Ca -0.48 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 56.97 1k93 h ASP 118 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1k93 h ASP 118 CO 0.65 0.00 -0.12 -0.33 -1.57 0.00 0.00 179.24 177.87 1k93 h GLU 119 N 0.00 -0.34 -0.97 3.56 4.39 -2.00 -2.93 114.58 116.29 1k93 h GLU 119 Ca 0.00 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.84 1k93 h GLU 119 Cb 0.32 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 1k93 h GLU 119 CO 0.00 -0.22 0.62 0.93 -1.16 0.00 0.00 179.01 179.18 1k93 h GLU 120 N -0.67 0.94 0.13 2.33 5.08 -1.82 -2.49 114.58 118.08 1k93 h GLU 120 Ca -0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1k93 h GLU 120 Cb 0.27 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1k93 h GLU 120 CO 0.06 0.62 -0.13 0.28 -1.00 0.00 0.00 179.01 178.83 1k93 h VAL 121 N 0.97 0.00 0.00 3.13 2.07 -1.30 -0.47 116.25 120.65 1k93 h VAL 121 Ca 0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.99 1k93 h VAL 121 Cb 0.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1k93 h VAL 121 CO -0.23 0.00 0.43 0.44 0.02 0.00 0.00 177.57 178.23 1k93 h ASP 122 N -0.27 0.00 0.06 0.57 3.32 -1.33 0.48 116.42 119.26 1k93 h ASP 122 Ca -0.02 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.81 1k93 h ASP 122 Cb 0.23 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.80 1k93 h ASP 122 CO -0.02 0.00 -0.92 -0.08 -1.72 0.00 0.00 179.24 176.50 1k93 h GLU 123 N 0.00 0.51 -0.54 3.56 4.22 -0.68 -2.89 114.58 118.76 1k93 h GLU 123 Ca 0.00 -0.63 -0.11 0.00 0.08 0.00 0.00 59.36 58.69 1k93 h GLU 123 Cb 0.86 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1k93 h GLU 123 CO 0.00 1.25 -0.11 0.52 -2.18 0.00 0.00 179.01 178.49 1k93 h MET 124 N 0.06 1.02 -0.23 1.92 2.86 0.11 -1.90 114.93 118.77 1k93 h MET 124 Ca -0.13 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1k93 h MET 124 Cb 1.63 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.21 1k93 h MET 124 CO 0.18 1.06 0.15 0.82 1.06 0.00 0.00 176.91 180.18 1k93 h ILE 125 N 0.91 1.07 -0.84 -1.22 1.08 -1.50 -2.05 117.51 114.96 1k93 h ILE 125 Ca 0.14 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1k93 h ILE 125 Cb 0.68 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 1k93 h ILE 125 CO 0.05 0.07 0.49 0.03 -0.69 0.00 0.00 178.15 178.10 1k93 h ARG 126 N 0.30 1.15 0.09 2.37 3.08 -1.42 0.30 114.38 120.25 1k93 h ARG 126 Ca 0.08 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1k93 h ARG 126 Cb -0.01 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1k93 h ARG 126 CO -0.02 0.82 -0.26 0.93 -1.07 0.00 0.00 179.97 180.37 1k93 h GLU 127 N 1.16 -0.38 -0.27 0.04 4.39 -0.87 -3.02 114.58 115.63 1k93 h GLU 127 Ca 0.30 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.95 1k93 h GLU 127 Cb -0.02 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1k93 h GLU 127 CO -0.05 -0.25 -0.17 0.00 -1.16 0.00 0.00 179.01 177.37 1k93 h ALA 128 N -1.09 1.22 -2.54 3.43 0.00 -1.29 -3.44 119.26 115.55 1k93 h ALA 128 Ca -0.01 -0.29 -0.57 0.00 0.00 0.00 0.00 54.91 54.04 1k93 h ALA 128 Cb 0.39 -0.13 0.10 0.00 0.00 0.00 0.00 17.79 18.16 1k93 h ALA 128 CO -0.13 0.51 0.56 -3.47 0.00 0.00 0.00 179.25 176.72 1k93 n ASP 129 N -4.18 2.90 -0.00 0.00 -0.08 0.10 -4.83 116.55 110.46 1k93 n ASP 129 Ca 0.00 1.20 -0.00 0.00 -1.51 0.00 0.00 54.79 54.48 1k93 n ASP 129 Cb 0.35 -1.49 -0.00 0.00 2.34 0.00 0.00 41.12 42.31 1k93 n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1k93 n ILE 130 N 0.67 0.02 -0.16 5.18 5.41 -1.26 -4.72 119.36 124.50 1k93 n ILE 130 Ca 0.06 -0.01 0.05 0.00 1.00 0.00 0.00 62.75 63.84 1k93 n ILE 130 Cb 0.36 -0.57 0.14 0.00 -0.71 0.00 0.00 39.64 38.86 1k93 n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1k93 n ASP 131 N -1.87 2.87 -2.30 4.38 5.68 -1.26 -5.00 116.55 119.05 1k93 n ASP 131 Ca -0.00 -1.99 -0.17 0.00 -0.50 0.00 0.00 54.79 52.12 1k93 n ASP 131 Cb 0.37 -0.22 0.02 0.00 -1.14 0.00 0.00 41.12 40.16 1k93 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k93 n GLY 132 N 0.47 -0.25 0.03 6.12 0.00 -1.26 -4.88 105.19 105.41 1k93 n GLY 132 Ca 0.11 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1k93 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k93 n ASP 133 N -1.47 0.22 0.00 1.61 5.75 -1.26 -4.88 116.55 116.53 1k93 n ASP 133 Ca -0.10 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1k93 n ASP 133 Cb 0.60 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1k93 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k93 n GLY 134 N 1.40 0.48 3.34 6.12 0.00 -1.26 -5.00 105.19 110.27 1k93 n GLY 134 Ca 0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1k93 n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k93 s GLN 135 N -0.39 1.21 -0.21 1.61 -2.07 -1.26 -4.72 119.66 113.83 1k93 s GLN 135 Ca 0.00 -1.30 -0.01 0.00 -1.82 0.00 0.00 55.36 52.23 1k93 s GLN 135 Cb 0.00 0.36 0.01 0.00 -1.09 0.00 0.00 33.01 32.30 1k93 s GLN 135 CO 0.00 -0.44 -0.11 0.08 -1.32 0.00 0.00 175.29 173.50 1k93 s VAL 136 N -4.02 2.68 0.57 3.63 1.01 -0.33 -4.72 120.40 119.21 1k93 s VAL 136 Ca 0.23 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1k93 s VAL 136 Cb 0.04 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.21 1k93 s VAL 136 CO 0.04 0.39 0.82 0.54 0.00 0.00 0.00 175.10 176.90 1k93 s ASN 137 N 1.35 5.33 0.22 3.32 2.20 -1.26 0.16 114.94 126.26 1k93 s ASN 137 Ca 0.03 0.24 -0.07 0.00 -0.94 0.00 0.00 52.86 52.12 1k93 s ASN 137 Cb -0.15 -1.16 0.35 0.00 -2.00 0.00 0.00 41.25 38.30 1k93 s ASN 137 CO -0.08 -1.14 1.73 0.22 -2.94 0.00 0.00 177.10 174.89 1k93 h TYR 138 N -0.04 0.40 -0.52 1.54 3.20 -1.99 -0.50 116.97 119.05 1k93 h TYR 138 Ca -0.44 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.57 1k93 h TYR 138 Cb 1.29 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.40 1k93 h TYR 138 CO 0.39 0.05 0.04 0.93 -1.64 0.00 0.00 178.16 177.94 1k93 h GLU 139 N 0.39 0.16 0.53 1.82 3.07 -1.96 0.29 114.58 118.87 1k93 h GLU 139 Ca 0.35 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.18 1k93 h GLU 139 Cb 0.50 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.38 1k93 h GLU 139 CO -0.37 0.10 -0.25 0.93 -1.40 0.00 0.00 179.01 178.02 1k93 h GLU 140 N 0.16 -0.69 -1.30 2.33 5.08 -1.78 -2.03 114.58 116.36 1k93 h GLU 140 Ca 0.27 0.05 0.39 0.00 -1.00 0.00 0.00 59.36 59.06 1k93 h GLU 140 Cb 0.40 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.71 1k93 h GLU 140 CO -0.41 -0.38 0.87 0.35 -1.00 0.00 0.00 179.01 178.45 1k93 h PHE 141 N -0.95 0.38 0.06 4.33 3.57 -0.55 0.23 116.94 124.01 1k93 h PHE 141 Ca -0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1k93 h PHE 141 Cb 0.62 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1k93 h PHE 141 CO 0.00 -0.06 -0.03 0.28 -2.23 0.00 0.00 178.31 176.27 1k93 h VAL 142 N 0.14 1.20 0.29 1.41 2.07 -0.01 -2.49 116.25 118.86 1k93 h VAL 142 Ca 0.72 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1k93 h VAL 142 Cb 2.37 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.92 1k93 h VAL 142 CO -0.25 0.23 -0.34 1.56 0.02 0.00 0.00 177.57 178.79 1k93 h GLN 143 N -0.50 -0.63 -0.08 1.57 1.08 0.09 0.69 115.11 117.35 1k93 h GLN 143 Ca -0.01 0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1k93 h GLN 143 Cb 0.44 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1k93 h GLN 143 CO 0.01 -0.42 0.72 1.98 -0.95 0.00 0.00 178.83 180.18 1k93 h MET 144 N -0.65 0.00 0.00 1.46 4.05 -1.18 0.35 114.93 118.97 1k93 h MET 144 Ca -0.04 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.11 1k93 h MET 144 Cb 0.57 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.33 1k93 h MET 144 CO -0.07 0.00 -2.04 -0.12 0.23 0.00 0.00 176.91 174.92 1k93 n MET 145 N -2.75 0.47 -0.00 0.39 0.00 -0.39 -4.66 117.12 110.17 1k93 n MET 145 Ca 0.01 0.10 -0.07 0.00 -0.00 0.00 0.00 57.70 57.74 1k93 n MET 145 Cb 0.76 -1.36 -0.13 0.00 0.00 0.00 0.00 33.22 32.49 1k93 n MET 145 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1k93 h THR 146 N 0.00 0.94 -0.01 1.12 1.35 0.12 -3.51 112.91 112.92 1k93 h THR 146 Ca -0.41 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 1k93 h THR 146 Cb 1.63 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.49 1k93 h THR 146 CO -0.06 0.53 0.00 0.00 -0.25 0.00 0.00 175.52 175.74