#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk9 h LEU 2 N 0.00 0.17 -0.93 1.04 3.38 -1.44 0.25 115.31 117.79 1bk9 h LEU 2 Ca 0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1bk9 h LEU 2 Cb 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1bk9 h LEU 2 CO 0.00 0.24 0.26 0.40 0.09 0.00 0.00 178.44 179.43 1bk9 h ILE 3 N 0.19 1.24 -0.17 1.22 5.03 -1.96 -1.14 117.51 121.92 1bk9 h ILE 3 Ca 0.04 -0.79 -0.16 0.00 -0.12 0.00 0.00 64.86 63.83 1bk9 h ILE 3 Cb 0.19 0.44 -0.01 0.00 -3.03 0.00 0.00 36.82 34.41 1bk9 h ILE 3 CO 0.01 0.31 -0.56 1.56 -0.68 0.00 0.00 178.15 178.79 1bk9 h GLN 4 N 1.01 0.54 -0.45 2.37 4.20 -1.39 -2.11 115.11 119.28 1bk9 h GLN 4 Ca 0.23 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1bk9 h GLN 4 Cb 0.23 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1bk9 h GLN 4 CO -0.02 0.96 0.21 0.35 -0.67 0.00 0.00 178.83 179.66 1bk9 h PHE 5 N 0.41 0.65 -0.94 2.96 3.57 -0.68 0.42 116.94 123.34 1bk9 h PHE 5 Ca 0.00 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.57 1bk9 h PHE 5 Cb 1.11 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.57 1bk9 h PHE 5 CO 0.05 0.53 0.58 1.49 -2.23 0.00 0.00 178.31 178.72 1bk9 h GLU 6 N 0.58 0.93 -0.22 1.11 4.57 -1.09 -1.65 114.58 118.81 1bk9 h GLU 6 Ca 0.15 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1bk9 h GLU 6 Cb 0.13 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1bk9 h GLU 6 CO -0.02 0.62 0.08 1.15 -1.18 0.00 0.00 179.01 179.66 1bk9 h THR 7 N 0.96 1.18 -0.43 0.32 2.02 -0.53 -1.66 112.91 114.78 1bk9 h THR 7 Ca 0.44 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1bk9 h THR 7 Cb 0.37 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1bk9 h THR 7 CO -0.24 0.19 0.13 -0.07 0.37 0.00 0.00 175.52 175.90 1bk9 h LEU 8 N 0.20 0.57 -0.44 2.58 4.07 -0.61 -0.39 115.31 121.29 1bk9 h LEU 8 Ca 0.07 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 1bk9 h LEU 8 Cb 0.22 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1bk9 h LEU 8 CO -0.00 0.56 -0.04 0.40 -1.08 0.00 0.00 178.44 178.28 1bk9 h ILE 9 N 0.62 1.27 -0.55 1.22 2.04 -0.88 -0.13 117.51 121.10 1bk9 h ILE 9 Ca 0.14 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 1bk9 h ILE 9 Cb 0.20 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1bk9 h ILE 9 CO -0.01 0.38 0.19 -0.03 0.00 0.00 0.00 178.15 178.68 1bk9 h MET 10 N 0.63 0.84 -0.31 2.37 4.05 -0.93 0.14 114.93 121.73 1bk9 h MET 10 Ca 0.12 -0.17 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1bk9 h MET 10 Cb 0.55 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1bk9 h MET 10 CO 0.03 0.75 -0.04 0.87 0.23 0.00 0.00 176.91 178.75 1bk9 h LYS 11 N 0.76 0.57 0.00 0.39 1.57 -0.81 -2.78 116.57 116.27 1bk9 h LYS 11 Ca 0.18 -0.20 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 1bk9 h LYS 11 Cb 0.24 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1bk9 h LYS 11 CO -0.01 0.74 -1.03 0.28 -0.57 0.00 0.00 179.45 178.86 1bk9 h VAL 12 N 0.35 0.84 -0.01 0.50 2.07 -0.92 -3.39 116.25 115.69 1bk9 h VAL 12 Ca 0.08 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1bk9 h VAL 12 Cb 0.51 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1bk9 h VAL 12 CO 0.02 0.28 -0.35 0.00 0.02 0.00 0.00 177.57 177.55 1bk9 n ALA 13 N -3.37 3.26 -3.90 1.67 0.00 0.47 -4.84 120.51 113.80 1bk9 n ALA 13 Ca -0.26 -0.41 -0.28 0.00 0.00 0.00 0.00 53.44 52.49 1bk9 n ALA 13 Cb 0.59 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.96 1bk9 n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bk9 n LYS 14 N -0.83 -4.75 -3.86 0.00 5.02 -1.03 -4.85 118.16 107.85 1bk9 n LYS 14 Ca 0.10 0.55 -0.11 0.00 -2.02 0.00 0.00 58.31 56.83 1bk9 n LYS 14 Cb 0.35 -5.21 -0.09 0.00 -0.02 0.00 0.00 35.03 30.06 1bk9 n LYS 14 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bk9 s LYS 16 N -6.47 0.59 0.09 1.97 -0.14 -1.24 -5.00 119.74 109.53 1bk9 s LYS 16 Ca 0.39 -0.51 -0.24 0.00 -1.36 0.00 0.00 55.97 54.25 1bk9 s LYS 16 Cb -0.20 0.24 -0.06 0.00 -1.68 0.00 0.00 37.83 36.13 1bk9 s LYS 16 CO 0.85 -0.16 0.74 0.45 -0.76 0.00 0.00 175.35 176.47 1bk9 s SER 17 N -1.73 7.25 0.13 2.83 0.15 -1.26 -2.80 113.70 118.27 1bk9 s SER 17 Ca -0.10 1.48 -0.12 0.00 0.70 0.00 0.00 55.95 57.91 1bk9 s SER 17 Cb -0.04 -2.46 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 1bk9 s SER 17 CO -0.01 0.12 1.50 1.23 1.20 0.00 0.00 173.24 177.28 1bk9 h GLY 18 N 5.07 0.93 1.65 9.45 0.00 -1.93 0.10 103.07 118.33 1bk9 h GLY 18 Ca -0.46 -0.85 -0.15 0.00 0.00 0.00 0.00 47.33 45.87 1bk9 h GLY 18 CO 0.68 0.77 -0.58 1.98 0.00 0.00 0.00 176.54 179.39 1bk9 h MET 19 N 0.66 0.36 0.04 4.80 1.85 -1.93 0.69 114.93 121.41 1bk9 h MET 19 Ca 0.09 -0.24 -0.26 0.00 -0.61 0.00 0.00 59.70 58.68 1bk9 h MET 19 Cb 0.78 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.82 1bk9 h MET 19 CO 0.06 0.84 -1.35 0.74 -0.40 0.00 0.00 176.91 176.80 1bk9 h PHE 20 N 0.27 0.15 0.00 1.39 -1.00 -1.95 -3.37 116.94 112.44 1bk9 h PHE 20 Ca -0.00 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.67 1bk9 h PHE 20 Cb 1.10 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1bk9 h PHE 20 CO 0.03 1.12 -1.11 0.91 -1.61 0.00 0.00 178.31 177.66 1bk9 n TRP 21 N -3.31 0.00 -1.47 -0.55 7.02 0.01 -4.77 117.44 114.37 1bk9 n TRP 21 Ca -0.09 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.42 1bk9 n TRP 21 Cb 1.00 -0.15 0.04 0.00 -2.42 0.00 0.00 31.31 29.78 1bk9 n TRP 21 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1bk9 n TYR 22 N -1.63 0.00 0.76 -5.99 4.01 0.22 -4.76 117.16 109.76 1bk9 n TYR 22 Ca -0.00 -0.35 0.11 0.00 -0.16 0.00 0.00 57.90 57.50 1bk9 n TYR 22 Cb 0.25 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 1bk9 n TYR 22 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1bk9 n SER 23 N -0.48 0.69 -2.75 7.72 3.41 -1.12 -3.61 113.62 117.48 1bk9 n SER 23 Ca 0.05 -0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 58.05 1bk9 n SER 23 Cb 0.63 0.91 0.09 0.00 -0.26 0.00 0.00 64.21 65.58 1bk9 n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bk9 n ASN 24 N -1.73 -1.39 -4.33 4.04 5.15 -0.37 -3.81 115.26 112.82 1bk9 n ASN 24 Ca 0.03 -2.94 -0.34 0.00 -0.60 0.00 0.00 54.58 50.73 1bk9 n ASN 24 Cb 0.39 0.97 -0.14 0.00 -0.53 0.00 0.00 39.78 40.47 1bk9 n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1bk9 s TYR 25 N -0.43 2.89 0.00 1.20 6.14 0.09 -0.66 117.35 126.58 1bk9 s TYR 25 Ca 0.24 -0.82 0.00 0.00 0.64 0.00 0.00 57.07 57.13 1bk9 s TYR 25 Cb 0.37 -1.97 0.00 0.00 0.42 0.00 0.00 41.96 40.78 1bk9 s TYR 25 CO -0.06 -0.39 0.00 0.41 0.64 0.00 0.00 175.55 176.15 1bk9 n GLY 26 N 4.15 0.57 0.11 8.97 0.00 0.21 -1.52 105.19 117.69 1bk9 n GLY 26 Ca -0.18 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 1bk9 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bk9 n TYR 28 N -3.26 0.00 -2.59 0.00 4.01 -1.25 -3.68 117.16 110.39 1bk9 n TYR 28 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 1bk9 n TYR 28 Cb 0.80 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.81 1bk9 n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bk9 n GLY 30 N 6.51 -2.01 3.74 0.00 0.00 -1.24 -0.73 105.19 111.46 1bk9 n GLY 30 Ca 0.35 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1bk9 n GLY 30 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bk9 s TRP 31 N -2.55 3.50 0.00 1.61 -0.11 -1.26 -4.82 118.94 115.31 1bk9 s TRP 31 Ca 0.00 1.53 0.00 0.00 1.22 0.00 0.00 56.10 58.85 1bk9 s TRP 31 Cb 0.00 -3.36 0.00 0.00 -1.50 0.00 0.00 33.47 28.61 1bk9 s TRP 31 CO 0.00 -0.90 0.00 0.41 -4.62 0.00 0.00 176.95 171.84 1bk9 n GLY 32 N 1.99 0.73 0.00 5.86 0.00 -1.26 -5.03 105.19 107.48 1bk9 n GLY 32 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1bk9 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bk9 n GLY 33 N 0.00 3.34 3.58 -0.02 0.00 -1.26 -4.67 105.19 106.16 1bk9 n GLY 33 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1bk9 n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bk9 s GLN 34 N -2.25 1.64 1.52 1.61 1.11 -1.24 -5.03 119.66 117.02 1bk9 s GLN 34 Ca 0.00 -1.35 0.00 0.00 0.01 0.00 0.00 55.36 54.02 1bk9 s GLN 34 Cb 0.00 0.47 0.00 0.00 -1.01 0.00 0.00 33.01 32.47 1bk9 s GLN 34 CO 0.00 -0.69 0.00 0.41 0.01 0.00 0.00 175.29 175.02 1bk9 n GLY 35 N -0.42 -1.70 3.83 3.09 0.00 -1.17 -4.72 105.19 104.10 1bk9 n GLY 35 Ca -0.01 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1bk9 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bk9 s ARG 36 N 0.00 4.09 0.08 1.61 0.52 -1.23 -3.11 118.95 120.92 1bk9 s ARG 36 Ca 0.00 0.62 -0.33 0.00 -0.52 0.00 0.00 55.73 55.50 1bk9 s ARG 36 Cb 0.00 -3.11 -0.12 0.00 0.52 0.00 0.00 34.95 32.24 1bk9 s ARG 36 CO 0.00 0.58 1.78 -2.30 0.02 0.00 0.00 175.30 175.37 1bk9 n PRO 37 N 1.36 2.46 0.09 3.54 -0.02 -1.26 -4.61 135.00 136.55 1bk9 n PRO 37 Ca -0.09 0.89 -0.03 0.00 -2.02 0.00 0.00 63.50 62.26 1bk9 n PRO 37 Cb 0.51 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.19 1bk9 n PRO 37 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1bk9 h GLN 38 N 7.98 0.00 0.00 -0.52 1.08 -1.96 -3.46 115.11 118.23 1bk9 h GLN 38 Ca -0.46 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1bk9 h GLN 38 Cb 1.24 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1bk9 h GLN 38 CO 0.93 0.76 0.00 -0.40 -0.95 0.00 0.00 178.83 179.17 1bk9 n ASP 39 N -3.27 -0.02 -0.06 1.46 5.75 -1.26 -5.02 116.55 114.13 1bk9 n ASP 39 Ca -0.00 -1.02 -0.12 0.00 -0.01 0.00 0.00 54.79 53.65 1bk9 n ASP 39 Cb 0.86 0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.92 1bk9 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bk9 h ALA 40 N 1.90 0.24 -0.38 2.12 0.00 -1.94 -0.65 119.26 120.55 1bk9 h ALA 40 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1bk9 h ALA 40 Cb 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1bk9 h ALA 40 CO 0.00 -0.03 0.15 1.15 0.00 0.00 0.00 179.25 180.52 1bk9 h THR 41 N 0.06 0.92 -0.66 0.00 2.02 -1.92 -1.41 112.91 111.92 1bk9 h THR 41 Ca 0.05 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1bk9 h THR 41 Cb 0.42 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1bk9 h THR 41 CO 0.01 0.06 0.36 -0.78 0.37 0.00 0.00 175.52 175.54 1bk9 h ASP 42 N 0.32 0.80 -0.16 4.18 3.58 -1.85 -1.19 116.42 122.10 1bk9 h ASP 42 Ca 0.17 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 1bk9 h ASP 42 Cb 0.13 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1bk9 h ASP 42 CO -0.16 0.64 -0.22 -0.09 -2.88 0.00 0.00 179.24 176.53 1bk9 h ARG 43 N 0.91 0.60 -0.99 0.28 2.43 -0.50 -1.02 114.38 116.09 1bk9 h ARG 43 Ca 0.23 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1bk9 h ARG 43 Cb 0.01 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 1bk9 h ARG 43 CO -0.04 0.78 0.65 0.00 -1.51 0.00 0.00 179.97 179.85 1bk9 h PHE 46 N 0.52 0.50 -0.48 0.00 3.57 -0.64 -0.31 116.94 120.09 1bk9 h PHE 46 Ca 0.02 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1bk9 h PHE 46 Cb 1.05 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1bk9 h PHE 46 CO 0.05 0.32 -0.09 0.28 -2.23 0.00 0.00 178.31 176.63 1bk9 h VAL 47 N 0.54 1.26 -0.78 1.41 2.07 -1.09 -1.37 116.25 118.30 1bk9 h VAL 47 Ca 0.14 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1bk9 h VAL 47 Cb -0.06 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1bk9 h VAL 47 CO -0.03 0.41 0.42 -0.74 0.02 0.00 0.00 177.57 177.66 1bk9 h HIS 48 N 0.79 1.07 -0.55 1.57 -0.00 -0.97 0.11 115.15 117.17 1bk9 h HIS 48 Ca 0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1bk9 h HIS 48 Cb 0.61 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.65 1bk9 h HIS 48 CO 0.04 0.75 0.36 -0.44 -0.00 0.00 0.00 177.93 178.63 1bk9 h ASP 49 N 1.08 0.64 -0.47 3.26 3.32 -0.67 -1.70 116.42 121.88 1bk9 h ASP 49 Ca 0.27 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1bk9 h ASP 49 Cb 0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1bk9 h ASP 49 CO -0.04 0.48 0.08 0.00 -1.72 0.00 0.00 179.24 178.03 1bk9 h TYR 52 N 0.45 1.19 0.00 0.00 -1.99 -1.24 -2.12 116.97 113.27 1bk9 h TYR 52 Ca 0.14 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 1bk9 h TYR 52 Cb -0.02 -0.38 -0.00 0.00 2.00 0.00 0.00 36.73 38.32 1bk9 h TYR 52 CO -0.06 0.81 -0.06 0.78 -0.00 0.00 0.00 178.16 179.62 1bk9 h GLY 53 N 1.22 0.00 0.65 3.88 0.00 -0.31 -1.56 103.07 106.95 1bk9 h GLY 53 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1bk9 h GLY 53 CO -0.05 0.00 -0.26 0.28 0.00 0.00 0.00 176.54 176.51 1bk9 n LYS 54 N -3.91 0.59 -2.56 4.80 4.76 -0.81 -4.86 118.16 116.17 1bk9 n LYS 54 Ca -0.03 -0.30 -0.43 0.00 -2.87 0.00 0.00 58.31 54.69 1bk9 n LYS 54 Cb 0.16 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.83 1bk9 n LYS 54 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bk9 s VAL 55 N -2.62 4.50 -0.16 -0.18 1.01 -0.59 -5.01 120.40 117.35 1bk9 s VAL 55 Ca 0.22 1.81 0.00 0.00 0.00 0.00 0.00 61.98 64.01 1bk9 s VAL 55 Cb 0.19 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 1bk9 s VAL 55 CO 0.55 -0.13 -0.15 -0.89 0.00 0.00 0.00 175.10 174.47 1bk9 s THR 56 N 3.14 2.71 0.00 3.92 2.01 -1.26 -4.73 115.64 121.43 1bk9 s THR 56 Ca 0.49 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1bk9 s THR 56 Cb -0.19 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1bk9 s THR 56 CO 0.11 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 1bk9 n GLY 59 N 4.08 1.12 3.84 4.40 0.00 -1.26 -4.94 105.19 112.44 1bk9 n GLY 59 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 1bk9 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bk9 s ASP 67 N -3.23 3.42 0.52 0.00 -1.08 -1.26 -4.99 116.67 110.05 1bk9 s ASP 67 Ca 0.18 -0.85 0.25 0.00 -0.52 0.00 0.00 52.55 51.62 1bk9 s ASP 67 Cb -0.03 -1.39 1.41 0.00 -1.46 0.00 0.00 42.92 41.44 1bk9 s ASP 67 CO 0.07 -0.09 2.07 -0.65 0.52 0.00 0.00 175.17 177.10 1bk9 h PRO 68 N 7.93 0.00 0.06 4.34 0.11 -1.92 -0.88 132.00 141.63 1bk9 h PRO 68 Ca -0.34 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1bk9 h PRO 68 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1bk9 h PRO 68 CO 0.54 0.12 -0.03 0.87 -0.21 0.00 0.00 178.00 179.30 1bk9 h LYS 69 N 0.00 -0.07 0.09 1.05 1.57 -1.94 -3.35 116.57 113.91 1bk9 h LYS 69 Ca -0.00 0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1bk9 h LYS 69 Cb 0.30 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1bk9 h LYS 69 CO 0.02 0.53 -1.98 -1.33 -0.57 0.00 0.00 179.45 176.11 1bk9 n MET 70 N -4.80 0.72 -2.16 3.15 2.81 -1.22 -1.61 117.12 114.01 1bk9 n MET 70 Ca -0.08 0.29 -0.38 0.00 -1.81 0.00 0.00 57.70 55.72 1bk9 n MET 70 Cb 0.31 -1.68 -0.00 0.00 -0.71 0.00 0.00 33.22 31.14 1bk9 n MET 70 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1bk9 s ASP 71 N -6.97 6.06 -0.22 7.83 1.01 -0.34 -4.62 116.67 119.43 1bk9 s ASP 71 Ca -0.25 2.42 -0.09 0.00 0.71 0.00 0.00 52.55 55.34 1bk9 s ASP 71 Cb 0.07 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1bk9 s ASP 71 CO 0.72 -1.00 0.12 -0.69 0.21 0.00 0.00 175.17 174.52 1bk9 s VAL 72 N -1.46 5.11 0.46 -1.27 1.01 -1.26 0.68 120.40 123.67 1bk9 s VAL 72 Ca 0.64 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.78 1bk9 s VAL 72 Cb -0.32 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1bk9 s VAL 72 CO 0.39 0.39 0.43 -0.72 0.00 0.00 0.00 175.10 175.59 1bk9 s TYR 73 N 0.81 2.34 0.12 5.22 -0.85 -1.26 -4.91 117.35 118.82 1bk9 s TYR 73 Ca 0.06 -0.59 0.09 0.00 -0.52 0.00 0.00 57.07 56.11 1bk9 s TYR 73 Cb -0.13 -2.12 -0.04 0.00 0.38 0.00 0.00 41.96 40.05 1bk9 s TYR 73 CO 0.02 -0.31 -0.16 0.45 -1.52 0.00 0.00 175.55 174.03 1bk9 s SER 74 N -4.22 3.99 0.16 -0.18 0.15 -1.26 -4.98 113.70 107.35 1bk9 s SER 74 Ca 0.47 -0.53 -0.19 0.00 0.70 0.00 0.00 55.95 56.40 1bk9 s SER 74 Cb -0.03 -0.60 0.04 0.00 -1.71 0.00 0.00 66.02 63.72 1bk9 s SER 74 CO 0.28 0.17 0.51 0.72 1.20 0.00 0.00 173.24 176.12 1bk9 s PHE 75 N -1.19 -0.29 0.08 3.44 -0.71 -1.26 -0.92 117.98 117.13 1bk9 s PHE 75 Ca 0.19 0.00 -0.00 0.00 -1.04 0.00 0.00 56.93 56.08 1bk9 s PHE 75 Cb -0.11 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1bk9 s PHE 75 CO 0.11 -0.82 -0.03 -1.54 -1.34 0.00 0.00 175.22 171.61 1bk9 s SER 76 N -2.81 0.71 -0.20 1.98 1.04 -0.59 -4.94 113.70 108.89 1bk9 s SER 76 Ca 0.04 -1.04 -0.09 0.00 0.48 0.00 0.00 55.95 55.34 1bk9 s SER 76 Cb 0.00 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 1bk9 s SER 76 CO -0.10 -0.58 0.11 -1.61 0.98 0.00 0.00 173.24 172.04 1bk9 s GLU 77 N -3.91 4.07 -0.12 4.02 2.02 -1.26 -0.90 118.70 122.61 1bk9 s GLU 77 Ca 0.12 -0.28 -0.25 0.00 0.02 0.00 0.00 54.97 54.57 1bk9 s GLU 77 Cb 0.07 -3.36 0.06 0.00 0.10 0.00 0.00 34.13 31.00 1bk9 s GLU 77 CO -0.06 0.24 0.61 -2.00 0.02 0.00 0.00 175.26 174.07 1bk9 s GLU 78 N 0.52 0.88 -0.66 1.61 2.12 -0.51 -4.94 118.70 117.72 1bk9 s GLU 78 Ca 0.06 0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.84 1bk9 s GLU 78 Cb -0.12 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.69 1bk9 s GLU 78 CO 0.00 -0.21 0.00 0.09 -0.54 0.00 0.00 175.26 174.60 1bk9 n ASN 79 N 1.70 -2.77 -0.30 -1.70 3.02 -1.26 -0.57 115.26 113.38 1bk9 n ASN 79 Ca -0.17 0.31 -0.03 0.00 -0.03 0.00 0.00 54.58 54.65 1bk9 n ASN 79 Cb 0.56 -2.42 -0.01 0.00 -0.61 0.00 0.00 39.78 37.30 1bk9 n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bk9 n GLY 80 N -0.67 0.45 3.21 7.41 0.00 -1.26 -5.05 105.19 109.28 1bk9 n GLY 80 Ca -0.09 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 1bk9 n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bk9 s ASP 81 N -2.92 0.22 -0.17 1.61 2.15 0.27 -5.13 116.67 112.70 1bk9 s ASP 81 Ca 0.00 -0.98 -0.21 0.00 0.43 0.00 0.00 52.55 51.79 1bk9 s ASP 81 Cb 0.00 0.33 -0.03 0.00 -0.30 0.00 0.00 42.92 42.93 1bk9 s ASP 81 CO 0.00 -0.76 0.62 -0.63 -0.17 0.00 0.00 175.17 174.23 1bk9 s ILE 82 N -3.97 5.04 -0.27 4.11 -1.09 -1.26 -1.42 121.20 122.34 1bk9 s ILE 82 Ca 0.16 1.20 -0.03 0.00 -2.23 0.00 0.00 60.65 59.75 1bk9 s ILE 82 Cb 0.06 -3.95 0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1bk9 s ILE 82 CO -0.03 0.15 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.14 1bk9 s VAL 83 N 1.62 3.28 0.18 2.92 1.01 -0.08 -4.97 120.40 124.37 1bk9 s VAL 83 Ca 0.30 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 1bk9 s VAL 83 Cb -0.16 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.45 1bk9 s VAL 83 CO 0.11 0.13 1.12 0.00 0.00 0.00 0.00 175.10 176.46 1bk9 n GLY 85 N 2.02 5.44 0.00 0.00 0.00 -0.10 -4.95 105.19 107.60 1bk9 n GLY 85 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1bk9 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bk9 n GLY 86 N 0.00 0.72 1.22 -0.02 0.00 -1.26 -4.27 105.19 101.57 1bk9 n GLY 86 Ca 0.00 -2.02 0.11 0.00 0.00 0.00 0.00 46.02 44.12 1bk9 n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bk9 n ASP 88 N -0.13 3.57 -4.24 1.61 5.75 -1.26 -4.88 116.55 116.96 1bk9 n ASP 88 Ca 0.00 -1.99 -0.35 0.00 -0.01 0.00 0.00 54.79 52.44 1bk9 n ASP 88 Cb 0.00 -0.37 -0.14 0.00 -1.03 0.00 0.00 41.12 39.58 1bk9 n ASP 88 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bk9 s ASP 89 N -1.21 4.32 0.20 -1.12 -1.08 -1.26 -4.99 116.67 111.53 1bk9 s ASP 89 Ca 0.43 -0.72 -0.11 0.00 -0.52 0.00 0.00 52.55 51.64 1bk9 s ASP 89 Cb 0.24 -1.69 0.13 0.00 -1.46 0.00 0.00 42.92 40.13 1bk9 s ASP 89 CO 0.32 -0.10 1.84 -0.65 0.52 0.00 0.00 175.17 177.10 1bk9 h PRO 90 N 8.06 0.94 -0.35 4.34 0.11 -1.95 -1.44 132.00 141.71 1bk9 h PRO 90 Ca -0.36 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1bk9 h PRO 90 Cb 1.13 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1bk9 h PRO 90 CO 0.59 0.66 0.05 0.00 -0.21 0.00 0.00 178.00 179.09 1bk9 h LYS 92 N 0.42 0.87 -0.80 0.00 1.57 -1.89 -1.51 116.57 115.22 1bk9 h LYS 92 Ca 0.11 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1bk9 h LYS 92 Cb 0.37 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1bk9 h LYS 92 CO 0.01 0.85 0.40 -0.22 -0.57 0.00 0.00 179.45 179.92 1bk9 h LYS 93 N 0.81 1.14 -0.67 3.15 3.64 -0.94 -2.30 116.57 121.40 1bk9 h LYS 93 Ca 0.16 -0.15 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1bk9 h LYS 93 Cb 0.44 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1bk9 h LYS 93 CO 0.02 0.87 0.33 0.93 -2.27 0.00 0.00 179.45 179.32 1bk9 h GLU 94 N 1.13 0.56 -0.60 1.90 5.08 -0.18 -0.22 114.58 122.25 1bk9 h GLU 94 Ca 0.28 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1bk9 h GLU 94 Cb 0.09 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1bk9 h GLU 94 CO -0.04 0.37 0.34 0.82 -1.00 0.00 0.00 179.01 179.50 1bk9 h ILE 95 N 0.58 1.19 -0.50 3.13 2.04 -1.04 -1.68 117.51 121.23 1bk9 h ILE 95 Ca 0.33 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1bk9 h ILE 95 Cb 0.32 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1bk9 h ILE 95 CO -0.25 0.20 0.26 0.00 0.00 0.00 0.00 178.15 178.36 1bk9 h GLU 97 N 0.66 1.24 -0.24 0.00 4.39 -0.48 0.65 114.58 120.79 1bk9 h GLU 97 Ca 0.17 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1bk9 h GLU 97 Cb 0.08 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1bk9 h GLU 97 CO -0.03 0.82 0.14 0.00 -1.16 0.00 0.00 179.01 178.78 1bk9 h ASP 99 N 0.29 0.94 0.07 0.00 3.32 -0.72 -2.23 116.42 118.09 1bk9 h ASP 99 Ca 0.09 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1bk9 h ASP 99 Cb 0.05 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1bk9 h ASP 99 CO -0.01 1.00 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.38 1bk9 h ARG 100 N 0.85 -0.09 -0.61 3.56 2.43 -0.74 -1.03 114.38 118.74 1bk9 h ARG 100 Ca 0.16 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 1bk9 h ARG 100 Cb 0.51 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 1bk9 h ARG 100 CO 0.02 0.11 0.28 0.00 -1.51 0.00 0.00 179.97 178.87 1bk9 h ALA 101 N 0.63 0.80 -0.61 2.80 0.00 -1.25 -1.56 119.26 120.07 1bk9 h ALA 101 Ca -0.01 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1bk9 h ALA 101 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1bk9 h ALA 101 CO 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 179.25 179.17 1bk9 h ALA 102 N 1.38 0.89 -0.88 0.00 0.00 -1.27 0.51 119.26 119.89 1bk9 h ALA 102 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1bk9 h ALA 102 Cb 0.30 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1bk9 h ALA 102 CO -0.25 0.66 0.49 0.00 0.00 0.00 0.00 179.25 180.16 1bk9 h ALA 103 N 1.05 1.22 -0.21 0.00 0.00 -0.62 0.07 119.26 120.76 1bk9 h ALA 103 Ca 0.18 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1bk9 h ALA 103 Cb 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1bk9 h ALA 103 CO 0.03 0.64 -0.61 0.82 0.00 0.00 0.00 179.25 180.13 1bk9 h ILE 104 N 1.22 1.29 -1.01 0.00 2.04 -1.10 -1.83 117.51 118.12 1bk9 h ILE 104 Ca 0.31 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 64.38 1bk9 h ILE 104 Cb 0.00 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 1bk9 h ILE 104 CO -0.05 0.58 0.66 0.00 0.00 0.00 0.00 178.15 179.34 1bk9 h PHE 106 N 1.32 0.28 -0.16 0.00 0.04 -0.80 -1.13 116.94 116.49 1bk9 h PHE 106 Ca 0.39 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.16 1bk9 h PHE 106 Cb -0.08 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 37.96 1bk9 h PHE 106 CO -0.00 0.41 -0.07 -0.09 -0.60 0.00 0.00 178.31 177.96 1bk9 h ARG 107 N 0.07 -0.05 0.00 1.51 2.43 -0.96 -1.75 114.38 115.63 1bk9 h ARG 107 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1bk9 h ARG 107 Cb 0.27 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1bk9 h ARG 107 CO 0.00 -0.03 0.00 -0.44 -1.51 0.00 0.00 179.97 177.99 1bk9 h ASP 108 N -0.05 0.00 -0.32 -3.80 3.32 -0.54 -2.85 116.42 112.18 1bk9 h ASP 108 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1bk9 h ASP 108 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1bk9 h ASP 108 CO -0.19 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.92 1bk9 n ASN 109 N -2.86 4.19 0.21 6.45 3.02 -0.45 -4.58 115.26 121.25 1bk9 n ASN 109 Ca 0.00 -2.97 0.06 0.00 -0.03 0.00 0.00 54.58 51.64 1bk9 n ASN 109 Cb 0.24 -0.56 0.56 0.00 -0.61 0.00 0.00 39.78 39.41 1bk9 n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bk9 h LEU 110 N 2.20 0.06 -1.69 3.41 3.38 -1.20 -2.41 115.31 119.07 1bk9 h LEU 110 Ca 0.00 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.13 1bk9 h LEU 110 Cb 1.52 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 1bk9 h LEU 110 CO 0.26 0.12 0.51 0.71 0.09 0.00 0.00 178.44 180.13 1bk9 h THR 111 N 0.07 0.74 0.00 0.22 1.35 -1.85 -2.38 112.91 111.06 1bk9 h THR 111 Ca 0.02 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1bk9 h THR 111 Cb 0.12 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1bk9 h THR 111 CO 0.01 0.05 -1.10 0.18 -0.25 0.00 0.00 175.52 174.40 1bk9 n LEU 112 N -4.44 0.60 -4.72 3.87 7.99 -0.92 -5.00 117.00 114.37 1bk9 n LEU 112 Ca 0.15 -0.07 -0.43 0.00 -0.01 0.00 0.00 56.01 55.65 1bk9 n LEU 112 Cb 0.62 -0.08 -0.02 0.00 -0.11 0.00 0.00 43.42 43.82 1bk9 n LEU 112 CO 0.34 0.06 1.22 0.00 -1.51 0.00 0.00 177.39 177.50 1bk9 n TYR 113 N -1.94 2.68 -3.02 -1.77 4.19 -0.90 -4.95 117.16 111.45 1bk9 n TYR 113 Ca 0.02 0.25 -0.10 0.00 3.31 0.00 0.00 57.90 61.37 1bk9 n TYR 113 Cb 0.44 -2.58 -0.03 0.00 0.49 0.00 0.00 39.34 37.65 1bk9 n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1bk9 s ASN 114 N 0.61 -0.51 0.53 2.98 3.84 -1.26 -4.99 114.94 116.14 1bk9 s ASN 114 Ca 0.68 -1.92 0.29 0.00 0.21 0.00 0.00 52.86 52.11 1bk9 s ASN 114 Cb -0.54 1.22 1.51 0.00 -0.55 0.00 0.00 41.25 42.89 1bk9 s ASN 114 CO 0.45 -0.11 2.09 -2.24 -2.79 0.00 0.00 177.10 174.49 1bk9 h ASP 115 N 5.60 0.00 -0.44 -4.21 2.03 -1.94 -1.08 116.42 116.38 1bk9 h ASP 115 Ca 0.11 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.38 1bk9 h ASP 115 Cb 1.07 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.55 1bk9 h ASP 115 CO 0.12 0.10 0.16 0.11 -1.03 0.00 0.00 179.24 178.70 1bk9 h LYS 116 N 0.00 0.67 0.02 4.15 1.79 -1.94 0.31 116.57 121.57 1bk9 h LYS 116 Ca -0.00 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.28 1bk9 h LYS 116 Cb 0.32 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1bk9 h LYS 116 CO 0.01 0.63 -0.22 -0.22 -1.08 0.00 0.00 179.45 178.57 1bk9 h LYS 117 N 0.56 0.11 -0.01 3.15 1.63 -1.94 -3.41 116.57 116.67 1bk9 h LYS 117 Ca 0.14 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1bk9 h LYS 117 Cb 0.23 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1bk9 h LYS 117 CO -0.01 0.98 -0.71 0.66 -3.45 0.00 0.00 179.45 176.93 1bk9 n TYR 118 N -4.51 0.00 -2.20 1.91 4.01 -0.43 -4.87 117.16 111.07 1bk9 n TYR 118 Ca -0.10 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.23 1bk9 n TYR 118 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 1bk9 n TYR 118 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1bk9 s TRP 119 N -2.69 3.19 -1.27 -0.72 -0.11 0.09 -0.62 118.94 116.81 1bk9 s TRP 119 Ca 0.14 1.42 -0.16 0.00 1.22 0.00 0.00 56.10 58.72 1bk9 s TRP 119 Cb 0.17 -3.60 0.01 0.00 -1.50 0.00 0.00 33.47 28.55 1bk9 s TRP 119 CO 0.70 -1.64 0.58 0.00 -4.62 0.00 0.00 176.95 171.97 1bk9 n ALA 120 N 1.24 -2.36 0.06 5.86 0.00 0.17 -4.85 120.51 120.63 1bk9 n ALA 120 Ca 0.01 -0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.14 1bk9 n ALA 120 Cb 0.42 -2.69 0.45 0.00 0.00 0.00 0.00 19.45 17.63 1bk9 n ALA 120 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1bk9 h PHE 121 N -2.05 0.40 0.00 0.00 3.57 -1.77 -3.48 116.94 113.61 1bk9 h PHE 121 Ca -0.67 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.83 1bk9 h PHE 121 Cb 1.38 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1bk9 h PHE 121 CO 0.41 0.29 0.00 0.41 -2.23 0.00 0.00 178.31 177.19 1bk9 n GLY 122 N -1.36 1.06 0.32 2.40 0.00 -1.26 -4.67 105.19 101.68 1bk9 n GLY 122 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1bk9 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bk9 h ALA 123 N 0.00 1.45 -0.72 4.61 0.00 -1.92 -1.85 119.26 120.83 1bk9 h ALA 123 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1bk9 h ALA 123 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1bk9 h ALA 123 CO 0.00 0.46 0.47 -0.22 0.00 0.00 0.00 179.25 179.96 1bk9 h LYS 124 N 0.84 0.76 0.00 0.00 1.63 -2.02 0.35 116.57 118.13 1bk9 h LYS 124 Ca 0.22 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1bk9 h LYS 124 Cb 0.02 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1bk9 h LYS 124 CO -0.04 0.50 0.00 0.09 -3.45 0.00 0.00 179.45 176.56 1bk9 n ASN 125 N -4.47 0.00 -3.04 4.20 3.02 -0.70 -3.41 115.26 110.85 1bk9 n ASN 125 Ca 0.10 0.02 -0.24 0.00 -0.03 0.00 0.00 54.58 54.43 1bk9 n ASN 125 Cb 0.20 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 1bk9 n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bk9 n PRO 127 N 0.00 2.08 -0.29 0.00 -0.02 -1.22 -3.34 135.00 132.21 1bk9 n PRO 127 Ca 0.29 0.75 0.22 0.00 -2.02 0.00 0.00 63.50 62.73 1bk9 n PRO 127 Cb 0.47 -2.46 0.52 0.00 -0.02 0.00 0.00 33.50 32.01 1bk9 n PRO 127 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1bk9 h GLN 128 N 5.02 0.38 0.00 -0.52 7.50 -1.92 -0.39 115.11 125.17 1bk9 h GLN 128 Ca -0.45 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 58.66 1bk9 h GLN 128 Cb 1.27 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.71 1bk9 h GLN 128 CO 0.82 0.25 -0.09 0.93 -1.50 0.00 0.00 178.83 179.24 1bk9 h GLU 129 N 0.39 0.00 -0.54 1.46 3.07 -2.00 -2.92 114.58 114.05 1bk9 h GLU 129 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1bk9 h GLU 129 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1bk9 h GLU 129 CO -0.24 0.09 0.00 0.39 -1.40 0.00 0.00 179.01 177.86 1bk9 n GLU 130 N -3.18 2.44 -2.02 2.33 1.02 -0.17 -4.91 120.64 116.15 1bk9 n GLU 130 Ca 0.01 -1.82 -0.43 0.00 -0.02 0.00 0.00 57.16 54.91 1bk9 n GLU 130 Cb 0.42 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1bk9 n GLU 130 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1bk9 s SER 131 N -0.89 6.15 0.11 1.62 0.01 -1.10 -3.53 113.70 116.07 1bk9 s SER 131 Ca 0.33 1.56 -0.31 0.00 1.31 0.00 0.00 55.95 58.84 1bk9 s SER 131 Cb 0.19 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.80 1bk9 s SER 131 CO 0.19 -1.45 1.63 -0.70 0.41 0.00 0.00 173.24 173.32 1bk9 s GLU 132 N 5.12 4.20 0.63 12.44 2.12 -1.18 -4.92 118.70 137.12 1bk9 s GLU 132 Ca 0.77 2.35 -0.16 0.00 0.36 0.00 0.00 54.97 58.30 1bk9 s GLU 132 Cb -0.25 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 1bk9 s GLU 132 CO 0.32 -0.69 1.10 -1.25 -0.54 0.00 0.00 175.26 174.21 1bk9 s PRO 133 N 2.05 2.96 0.00 4.30 0.04 -1.26 -5.03 135.00 138.06 1bk9 s PRO 133 Ca 0.73 1.39 0.14 0.00 0.04 0.00 0.00 61.00 63.29 1bk9 s PRO 133 Cb -0.42 -1.97 0.81 0.00 0.04 0.00 0.00 34.50 32.96 1bk9 s PRO 133 CO 0.32 -1.12 1.23 0.00 0.04 0.00 0.00 177.00 177.47