#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb5 s PRO 2 N 0.00 0.39 0.36 5.56 0.04 -1.24 -4.93 135.00 135.18 2kb5 s PRO 2 Ca 0.00 0.50 0.27 0.00 0.04 0.00 0.00 61.00 61.81 2kb5 s PRO 2 Cb 0.00 -1.73 1.14 0.00 0.04 0.00 0.00 34.50 33.94 2kb5 s PRO 2 CO 0.00 -2.76 1.81 -1.00 0.04 0.00 0.00 177.00 175.10 2kb5 h PRO 3 N -1.91 0.00 0.16 0.56 0.13 -1.97 -3.00 132.00 125.97 2kb5 h PRO 3 Ca -0.55 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.24 2kb5 h PRO 3 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2kb5 h PRO 3 CO 0.58 0.00 -1.73 0.37 -0.23 0.00 0.00 178.00 176.98 2kb5 h GLN 4 N 0.00 0.33 -6.10 0.86 4.15 -2.02 -3.46 115.11 108.87 2kb5 h GLN 4 Ca 0.00 -0.57 -0.68 0.00 0.77 0.00 0.00 58.65 58.16 2kb5 h GLN 4 Cb 0.40 0.21 -0.23 0.00 0.21 0.00 0.00 27.48 28.08 2kb5 h GLN 4 CO 0.00 1.23 -0.75 -0.06 -1.93 0.00 0.00 178.83 177.32 2kb5 s PHE 5 N -2.59 2.77 0.60 3.99 0.08 -1.13 -5.10 117.98 116.60 2kb5 s PHE 5 Ca -0.15 -0.20 -0.10 0.00 0.12 0.00 0.00 56.93 56.60 2kb5 s PHE 5 Cb 0.06 -1.69 0.15 0.00 -0.57 0.00 0.00 43.02 40.97 2kb5 s PHE 5 CO 0.84 0.14 0.43 0.25 -0.10 0.00 0.00 175.22 176.79 2kb5 n THR 6 N 2.52 0.00 0.07 0.64 -2.24 -1.26 -3.67 114.28 110.34 2kb5 n THR 6 Ca -0.17 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 2kb5 n THR 6 Cb 0.52 -0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 2kb5 n THR 6 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2kb5 h ARG 7 N 0.00 0.36 0.00 -0.78 3.08 -1.92 -2.94 114.38 112.18 2kb5 h ARG 7 Ca -0.18 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.48 2kb5 h ARG 7 Cb 0.57 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2kb5 h ARG 7 CO 0.11 1.07 -0.24 0.00 -1.07 0.00 0.00 179.97 179.85 2kb5 h ALA 8 N 0.79 0.00 -1.03 0.04 0.00 -1.93 -3.08 119.26 114.05 2kb5 h ALA 8 Ca -0.07 -0.29 0.30 0.00 0.00 0.00 0.00 54.91 54.85 2kb5 h ALA 8 Cb 1.57 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 2kb5 h ALA 8 CO 0.16 0.24 0.85 -0.56 0.00 0.00 0.00 179.25 179.94 2kb5 h GLN 9 N -0.72 0.00 0.00 0.00 -0.00 -1.85 1.28 115.11 113.83 2kb5 h GLN 9 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 2kb5 h GLN 9 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.69 2kb5 h GLN 9 CO 0.00 0.00 -0.93 2.35 -0.00 0.00 0.00 178.83 180.25 2kb5 h TRP 10 N 0.00 0.00 0.07 0.06 -0.00 -1.67 -3.20 115.95 111.21 2kb5 h TRP 10 Ca 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.38 2kb5 h TRP 10 Cb 2.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.35 2kb5 h TRP 10 CO 0.00 0.69 -0.03 0.35 -0.00 0.00 0.00 178.44 179.44 2kb5 h PHE 11 N 0.00 -0.08 0.00 2.65 3.04 0.17 -2.87 116.94 119.85 2kb5 h PHE 11 Ca -0.07 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.84 2kb5 h PHE 11 Cb 1.58 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 40.11 2kb5 h PHE 11 CO 0.00 0.16 -0.19 0.00 -2.02 0.00 0.00 178.31 176.26 2kb5 h ALA 12 N 0.59 1.42 -0.82 2.41 0.00 -1.61 0.42 119.26 121.68 2kb5 h ALA 12 Ca -0.01 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.85 2kb5 h ALA 12 Cb 0.28 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 2kb5 h ALA 12 CO 0.01 0.24 0.43 0.82 0.00 0.00 0.00 179.25 180.75 2kb5 h ILE 13 N 0.00 0.78 0.00 0.00 1.08 -1.50 3.01 117.51 120.89 2kb5 h ILE 13 Ca -0.00 -0.22 -0.25 0.00 -0.39 0.00 0.00 64.86 64.00 2kb5 h ILE 13 Cb 0.41 0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 2kb5 h ILE 13 CO 0.02 0.12 -2.06 0.00 -0.69 0.00 0.00 178.15 175.55 2kb5 n GLN 14 N -4.84 1.22 0.00 2.37 10.64 -1.07 -4.37 117.38 121.33 2kb5 n GLN 14 Ca 0.15 -0.03 0.12 0.00 -1.83 0.00 0.00 57.00 55.41 2kb5 n GLN 14 Cb 0.38 -1.41 0.31 0.00 -0.86 0.00 0.00 30.24 28.65 2kb5 n GLN 14 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2kb5 n HIS 15 N -2.52 0.00 -3.81 2.61 8.25 0.15 -3.85 115.22 116.04 2kb5 n HIS 15 Ca -0.22 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.10 2kb5 n HIS 15 Cb 0.93 -0.17 -0.15 0.00 1.12 0.00 0.00 29.99 31.72 2kb5 n HIS 15 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2kb5 s ILE 16 N -2.71 -0.03 -0.30 1.59 1.01 1.00 -0.36 121.20 121.40 2kb5 s ILE 16 Ca 0.19 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.86 2kb5 s ILE 16 Cb 0.18 -0.06 0.18 0.00 0.01 0.00 0.00 42.46 42.78 2kb5 s ILE 16 CO 0.60 0.05 0.97 -0.94 0.00 0.00 0.00 174.94 175.62 2kb5 s SER 17 N 0.61 -0.63 0.23 3.58 1.04 -0.68 -4.18 113.70 113.66 2kb5 s SER 17 Ca -0.05 0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.44 2kb5 s SER 17 Cb -0.07 1.46 0.25 0.00 0.10 0.00 0.00 66.02 67.76 2kb5 s SER 17 CO -0.02 -0.12 1.56 -0.07 0.98 0.00 0.00 173.24 175.57 2kb5 h LEU 18 N 7.71 -1.32 -7.37 2.42 3.38 -1.81 -3.11 115.31 115.21 2kb5 h LEU 18 Ca -0.11 0.30 -0.66 0.00 0.09 0.00 0.00 57.88 57.50 2kb5 h LEU 18 Cb 1.17 0.71 -0.39 0.00 0.09 0.00 0.00 40.66 42.24 2kb5 h LEU 18 CO -0.05 -0.29 -0.49 0.20 0.09 0.00 0.00 178.44 177.90 2kb5 s ASN 19 N -5.32 4.83 -0.37 -0.43 0.02 -1.26 -4.64 114.94 107.78 2kb5 s ASN 19 Ca -0.14 -3.20 -0.28 0.00 -1.02 0.00 0.00 52.86 48.21 2kb5 s ASN 19 Cb 0.21 -1.73 -0.01 0.00 0.02 0.00 0.00 41.25 39.74 2kb5 s ASN 19 CO 0.72 -0.24 1.71 -2.16 0.02 0.00 0.00 177.10 177.15 2kb5 s PRO 20 N -0.56 3.34 0.00 -0.60 0.04 -1.17 -5.00 135.00 131.05 2kb5 s PRO 20 Ca 0.19 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2kb5 s PRO 20 Cb -0.19 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2kb5 s PRO 20 CO -0.05 -1.86 0.00 -0.35 0.04 0.00 0.00 177.00 174.78 2kb5 n PRO 21 N 8.41 0.59 -1.77 0.56 -0.04 -1.26 -4.83 135.00 136.65 2kb5 n PRO 21 Ca 0.21 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.29 2kb5 n PRO 21 Cb 0.47 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.90 2kb5 n PRO 21 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kb5 s ARG 22 N -0.61 2.54 0.22 0.54 1.81 -1.26 -4.75 118.95 117.44 2kb5 s ARG 22 Ca 0.00 1.23 0.13 0.00 -1.72 0.00 0.00 55.73 55.36 2kb5 s ARG 22 Cb 0.00 -4.45 0.80 0.00 -0.45 0.00 0.00 34.95 30.85 2kb5 s ARG 22 CO 0.00 -2.80 0.93 0.00 -0.68 0.00 0.00 175.30 172.75 2kb5 h THR 24 N 0.00 0.40 0.14 0.00 2.02 -1.87 -2.56 112.91 111.04 2kb5 h THR 24 Ca 0.50 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 67.33 2kb5 h THR 24 Cb 1.34 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2kb5 h THR 24 CO -0.44 0.00 -1.87 0.40 0.37 0.00 0.00 175.52 173.97 2kb5 h ILE 25 N -0.19 0.77 -1.42 3.11 2.04 0.11 -3.36 117.51 118.57 2kb5 h ILE 25 Ca 0.16 -2.44 0.47 0.00 1.00 0.00 0.00 64.86 64.06 2kb5 h ILE 25 Cb 0.44 2.61 -0.13 0.00 -0.74 0.00 0.00 36.82 39.00 2kb5 h ILE 25 CO -0.43 0.86 0.93 0.00 0.00 0.00 0.00 178.15 179.51 2kb5 h ALA 26 N 0.16 2.91 -0.23 1.87 0.00 -0.37 2.10 119.26 125.69 2kb5 h ALA 26 Ca -0.38 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2kb5 h ALA 26 Cb 2.06 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 20.01 2kb5 h ALA 26 CO 0.12 -1.58 0.13 0.00 0.00 0.00 0.00 179.25 177.93 2kb5 n MET 27 N -4.64 1.49 -0.08 0.00 0.00 -0.98 -4.07 117.12 108.84 2kb5 n MET 27 Ca 0.40 -0.79 -0.12 0.00 0.00 0.00 0.00 57.70 57.18 2kb5 n MET 27 Cb 1.57 -1.40 -0.07 0.00 0.00 0.00 0.00 33.22 33.32 2kb5 n MET 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 2kb5 h ARG 28 N 0.45 0.00 0.00 3.17 0.11 0.32 -3.18 114.38 115.24 2kb5 h ARG 28 Ca 0.13 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.07 2kb5 h ARG 28 Cb 1.34 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.40 2kb5 h ARG 28 CO 0.25 0.55 -0.67 0.00 0.10 0.00 0.00 179.97 180.20 2kb5 h ALA 29 N -0.65 0.80 -1.22 0.08 0.00 -1.76 -3.06 119.26 113.44 2kb5 h ALA 29 Ca -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2kb5 h ALA 29 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kb5 h ALA 29 CO -0.09 0.83 0.00 -0.89 0.00 0.00 0.00 179.25 179.11 2kb5 n ILE 30 N -3.60 0.00 0.30 0.00 -0.00 -1.26 -3.48 119.36 111.33 2kb5 n ILE 30 Ca -0.00 0.69 0.08 0.00 -0.00 0.00 0.00 62.75 63.52 2kb5 n ILE 30 Cb 0.69 -1.45 0.37 0.00 -0.00 0.00 0.00 39.64 39.25 2kb5 n ILE 30 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 2kb5 h ASN 31 N 0.00 0.00 0.03 4.38 2.35 -1.72 0.49 115.58 121.11 2kb5 h ASN 31 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kb5 h ASN 31 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2kb5 h ASN 31 CO 0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 2kb5 n ASN 32 N -2.72 0.00 0.25 5.81 3.02 -1.16 -1.10 115.26 119.36 2kb5 n ASN 32 Ca 0.00 0.44 0.14 0.00 -0.03 0.00 0.00 54.58 55.13 2kb5 n ASN 32 Cb 0.77 -0.44 0.51 0.00 -0.61 0.00 0.00 39.78 40.01 2kb5 n ASN 32 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2kb5 h TYR 33 N 0.00 0.00 -3.79 3.10 -0.00 -0.18 -3.46 116.97 112.64 2kb5 h TYR 33 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.48 2kb5 h TYR 33 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 36.68 2kb5 h TYR 33 CO 0.00 0.07 -0.13 0.54 -0.00 0.00 0.00 178.16 178.64 2kb5 n ARG 34 N -3.17 0.62 -0.10 0.10 5.12 -0.26 -4.64 116.66 114.32 2kb5 n ARG 34 Ca 0.01 -2.47 0.12 0.00 -1.93 0.00 0.00 57.85 53.58 2kb5 n ARG 34 Cb 0.39 2.38 0.18 0.00 -1.16 0.00 0.00 32.46 34.25 2kb5 n ARG 34 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 2kb5 n TRP 35 N -0.51 0.27 -3.77 -1.55 -0.00 -1.26 -4.94 117.44 105.67 2kb5 n TRP 35 Ca 0.01 -0.13 -0.23 0.00 -0.00 0.00 0.00 57.50 57.15 2kb5 n TRP 35 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.79 2kb5 n TRP 35 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2kb5 s ARG 36 N -1.73 2.41 0.37 5.87 3.00 -1.26 -4.71 118.95 122.90 2kb5 s ARG 36 Ca 0.34 -1.68 0.08 0.00 0.00 0.00 0.00 55.73 54.46 2kb5 s ARG 36 Cb 0.22 -2.22 -0.03 0.00 0.00 0.00 0.00 34.95 32.91 2kb5 s ARG 36 CO 0.31 -0.21 0.30 0.00 0.00 0.00 0.00 175.30 175.70 2kb5 s LYS 38 N -4.03 3.39 0.09 0.00 2.47 -1.26 -5.00 119.74 115.40 2kb5 s LYS 38 Ca 0.43 -0.53 0.25 0.00 -1.56 0.00 0.00 55.97 54.56 2kb5 s LYS 38 Cb -0.04 -2.98 0.55 0.00 -1.46 0.00 0.00 37.83 33.90 2kb5 s LYS 38 CO 0.26 0.57 1.48 0.09 0.16 0.00 0.00 175.35 177.91 2kb5 n ASN 39 N -0.05 0.59 -3.61 1.43 4.13 -1.26 -4.61 115.26 111.88 2kb5 n ASN 39 Ca -0.06 0.14 -0.05 0.00 1.68 0.00 0.00 54.58 56.29 2kb5 n ASN 39 Cb 0.52 -0.03 -0.04 0.00 -1.54 0.00 0.00 39.78 38.70 2kb5 n ASN 39 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2kb5 s GLN 40 N -3.10 0.27 -0.09 3.52 0.74 -1.26 -3.14 119.66 116.60 2kb5 s GLN 40 Ca 0.09 0.01 -0.24 0.00 0.05 0.00 0.00 55.36 55.27 2kb5 s GLN 40 Cb 0.15 0.13 0.06 0.00 1.10 0.00 0.00 33.01 34.44 2kb5 s GLN 40 CO 0.68 -0.09 0.57 1.21 -0.55 0.00 0.00 175.29 177.10 2kb5 s ASN 41 N -1.37 -0.53 -0.12 6.67 3.84 0.97 -5.00 114.94 119.40 2kb5 s ASN 41 Ca 0.06 0.70 -0.04 0.00 0.21 0.00 0.00 52.86 53.79 2kb5 s ASN 41 Cb -0.01 0.67 0.05 0.00 -0.55 0.00 0.00 41.25 41.41 2kb5 s ASN 41 CO -0.05 -0.46 0.08 -0.89 -2.79 0.00 0.00 177.10 173.00 2kb5 s THR 42 N -0.81 -0.11 -0.50 -5.21 2.01 -1.26 -0.12 115.64 109.65 2kb5 s THR 42 Ca -0.09 0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 2kb5 s THR 42 Cb -0.02 -0.40 0.07 0.00 0.01 0.00 0.00 72.50 72.16 2kb5 s THR 42 CO 0.06 -0.08 0.54 -0.36 -0.69 0.00 0.00 174.62 174.08 2kb5 s PHE 43 N 2.16 3.13 -0.13 4.92 0.40 -0.64 -4.11 117.98 123.70 2kb5 s PHE 43 Ca 0.03 -0.74 -0.27 0.00 -0.60 0.00 0.00 56.93 55.35 2kb5 s PHE 43 Cb -0.14 -3.43 -0.01 0.00 0.51 0.00 0.00 43.02 39.94 2kb5 s PHE 43 CO -0.07 -0.96 0.91 -0.51 0.70 0.00 0.00 175.22 175.30 2kb5 s LEU 44 N 2.21 4.22 -1.15 -0.37 1.43 0.51 -0.52 118.68 125.02 2kb5 s LEU 44 Ca 0.10 1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 54.34 2kb5 s LEU 44 Cb -0.22 -3.39 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 2kb5 s LEU 44 CO 0.09 -0.41 1.91 0.54 0.23 0.00 0.00 176.35 178.71 2kb5 n ARG 45 N 5.04 1.84 -3.48 1.70 1.74 0.10 -1.69 116.66 121.92 2kb5 n ARG 45 Ca 0.06 -2.49 -0.10 0.00 -0.77 0.00 0.00 57.85 54.55 2kb5 n ARG 45 Cb 0.49 -3.56 -0.02 0.00 -1.02 0.00 0.00 32.46 28.35 2kb5 n ARG 45 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2kb5 s THR 46 N 8.97 0.00 0.55 0.55 -1.32 -1.26 -4.65 115.64 118.48 2kb5 s THR 46 Ca 0.64 -0.07 -0.12 0.00 -1.21 0.00 0.00 61.69 60.94 2kb5 s THR 46 Cb 0.03 -1.08 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 2kb5 s THR 46 CO 0.12 0.00 0.96 -0.89 -2.21 0.00 0.00 174.62 172.60 2kb5 s THR 47 N -3.52 4.69 0.40 5.08 2.01 -1.26 -4.47 115.64 118.57 2kb5 s THR 47 Ca 0.03 0.86 0.08 0.00 0.31 0.00 0.00 61.69 62.97 2kb5 s THR 47 Cb -0.01 -3.82 0.28 0.00 0.01 0.00 0.00 72.50 68.96 2kb5 s THR 47 CO -0.10 -0.93 2.02 0.15 -0.69 0.00 0.00 174.62 175.08 2kb5 h PHE 48 N 0.24 0.57 -0.26 4.92 3.57 -1.98 -2.26 116.94 121.73 2kb5 h PHE 48 Ca -0.45 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 2kb5 h PHE 48 Cb 1.19 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2kb5 h PHE 48 CO 0.64 0.34 0.14 0.00 -2.23 0.00 0.00 178.31 177.19 2kb5 h ALA 49 N 1.70 0.34 0.00 2.41 0.00 -1.99 0.15 119.26 121.87 2kb5 h ALA 49 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2kb5 h ALA 49 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kb5 h ALA 49 CO -0.05 -0.12 -0.03 -0.91 0.00 0.00 0.00 179.25 178.13 2kb5 h ASN 50 N 0.30 0.00 0.00 0.00 2.35 -1.80 -1.31 115.58 115.12 2kb5 h ASN 50 Ca 0.09 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 2kb5 h ASN 50 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2kb5 h ASN 50 CO -0.01 0.03 -0.67 0.58 -1.65 0.00 0.00 177.43 175.71 2kb5 h VAL 51 N 0.00 0.93 -0.20 2.81 2.07 -1.08 -3.30 116.25 117.48 2kb5 h VAL 51 Ca -0.00 -1.93 0.06 0.00 0.82 0.00 0.00 66.70 65.65 2kb5 h VAL 51 Cb 0.15 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2kb5 h VAL 51 CO 0.00 0.31 0.15 0.58 0.02 0.00 0.00 177.57 178.64 2kb5 h VAL 52 N -1.00 0.83 0.00 2.57 2.07 -0.58 0.62 116.25 120.75 2kb5 h VAL 52 Ca -0.16 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 2kb5 h VAL 52 Cb 0.97 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2kb5 h VAL 52 CO -0.10 0.00 -0.31 -1.13 0.02 0.00 0.00 177.57 176.05 2kb5 h ASN 53 N 0.00 0.00 0.27 0.57 -1.24 -1.38 -2.94 115.58 110.86 2kb5 h ASN 53 Ca 0.09 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.01 2kb5 h ASN 53 Cb 0.39 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2kb5 h ASN 53 CO -0.00 0.31 -0.40 0.58 -1.29 0.00 0.00 177.43 176.64 2kb5 h VAL 54 N 0.00 1.30 0.00 2.57 2.07 -0.94 -2.68 116.25 118.57 2kb5 h VAL 54 Ca -0.00 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 2kb5 h VAL 54 Cb 0.83 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2kb5 h VAL 54 CO 0.04 0.43 -0.11 0.00 0.02 0.00 0.00 177.57 177.95 2kb5 n GLY 56 N -1.05 -0.78 3.97 0.00 0.00 -1.01 -4.79 105.19 101.53 2kb5 n GLY 56 Ca -0.02 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2kb5 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kb5 s ASN 57 N -1.48 5.88 -0.50 1.61 0.01 -0.49 -4.97 114.94 115.00 2kb5 s ASN 57 Ca 0.13 0.05 -0.37 0.00 -0.71 0.00 0.00 52.86 51.96 2kb5 s ASN 57 Cb 0.06 -1.37 -0.15 0.00 0.41 0.00 0.00 41.25 40.20 2kb5 s ASN 57 CO 0.10 -0.59 2.26 1.67 -1.51 0.00 0.00 177.10 179.03 2kb5 n GLN 58 N -1.88 0.56 -1.06 -0.60 0.00 -1.26 -4.89 117.38 108.25 2kb5 n GLN 58 Ca 0.01 0.13 -0.29 0.00 -0.00 0.00 0.00 57.00 56.85 2kb5 n GLN 58 Cb 0.58 -2.07 0.18 0.00 0.00 0.00 0.00 30.24 28.92 2kb5 n GLN 58 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2kb5 s SER 59 N 7.47 2.63 0.21 1.69 1.04 -1.26 -4.60 113.70 120.88 2kb5 s SER 59 Ca 1.16 1.38 -0.23 0.00 0.48 0.00 0.00 55.95 58.74 2kb5 s SER 59 Cb -1.08 -2.06 0.04 0.00 0.10 0.00 0.00 66.02 63.02 2kb5 s SER 59 CO 0.53 -3.15 0.75 0.27 0.98 0.00 0.00 173.24 172.61 2kb5 s ILE 60 N -2.86 0.00 -0.20 -1.02 -4.36 -1.18 -5.01 121.20 106.58 2kb5 s ILE 60 Ca 0.65 -0.64 -0.29 0.00 -0.26 0.00 0.00 60.65 60.11 2kb5 s ILE 60 Cb -0.20 -1.70 -0.02 0.00 1.25 0.00 0.00 42.46 41.80 2kb5 s ILE 60 CO 0.59 0.00 1.37 0.00 0.24 0.00 0.00 174.94 177.13 2kb5 s ARG 61 N -3.71 4.08 0.70 0.37 1.70 -1.26 -4.46 118.95 116.37 2kb5 s ARG 61 Ca 0.08 1.61 -0.15 0.00 -0.47 0.00 0.00 55.73 56.81 2kb5 s ARG 61 Cb -0.04 -3.86 0.02 0.00 -0.57 0.00 0.00 34.95 30.51 2kb5 s ARG 61 CO 0.00 -0.91 1.19 0.00 -1.08 0.00 0.00 175.30 174.50 2kb5 h PRO 63 N -0.12 0.58 0.00 0.00 0.13 -1.94 -2.90 132.00 127.76 2kb5 h PRO 63 Ca -0.48 -0.31 -0.03 0.00 -0.87 0.00 0.00 66.00 64.32 2kb5 h PRO 63 Cb 1.29 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kb5 h PRO 63 CO 0.51 0.90 -0.12 1.25 -0.23 0.00 0.00 178.00 180.31 2kb5 h HIS 64 N 0.48 0.00 -2.57 1.56 2.76 -1.95 -3.39 115.15 112.03 2kb5 h HIS 64 Ca 0.04 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.86 2kb5 h HIS 64 Cb 0.93 0.00 -0.36 0.00 1.55 0.00 0.00 27.41 29.53 2kb5 h HIS 64 CO 0.04 0.12 -0.65 -0.80 -1.30 0.00 0.00 177.93 175.34 2kb5 s ASN 65 N -6.03 1.65 0.00 3.26 0.01 -1.09 -4.99 114.94 107.74 2kb5 s ASN 65 Ca -0.02 -0.38 0.09 0.00 -0.71 0.00 0.00 52.86 51.84 2kb5 s ASN 65 Cb 0.12 0.27 0.51 0.00 0.41 0.00 0.00 41.25 42.57 2kb5 s ASN 65 CO 0.58 -0.34 1.16 -2.11 -1.51 0.00 0.00 177.10 174.88 2kb5 n ARG 66 N 5.31 0.80 -0.00 -0.60 1.85 -1.24 -3.30 116.66 119.47 2kb5 n ARG 66 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2kb5 n ARG 66 Cb 0.49 -1.17 -0.00 0.00 -1.05 0.00 0.00 32.46 30.73 2kb5 n ARG 66 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2kb5 n THR 67 N -0.67 0.03 -2.19 8.89 5.66 -1.26 -4.99 114.28 119.74 2kb5 n THR 67 Ca 0.06 -0.01 -0.42 0.00 -3.05 0.00 0.00 64.05 60.63 2kb5 n THR 67 Cb 0.03 -0.56 -0.03 0.00 -1.55 0.00 0.00 70.33 68.23 2kb5 n THR 67 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2kb5 s LEU 68 N -5.07 4.32 -0.53 1.09 1.43 -1.21 -4.96 118.68 113.76 2kb5 s LEU 68 Ca -0.01 2.14 0.07 0.00 -1.03 0.00 0.00 54.13 55.30 2kb5 s LEU 68 Cb 0.00 -3.56 0.27 0.00 0.03 0.00 0.00 46.19 42.93 2kb5 s LEU 68 CO 0.01 -0.74 0.69 -0.46 0.23 0.00 0.00 176.35 176.08 2kb5 n ASN 69 N 5.48 2.39 -0.15 2.29 0.23 -1.26 -3.47 115.26 120.77 2kb5 n ASN 69 Ca 0.14 -3.18 0.01 0.00 -0.53 0.00 0.00 54.58 51.02 2kb5 n ASN 69 Cb 0.43 -0.64 0.02 0.00 -2.08 0.00 0.00 39.78 37.51 2kb5 n ASN 69 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kb5 n ASN 70 N 0.87 0.73 -4.47 0.53 6.94 -1.26 -4.93 115.26 113.67 2kb5 n ASN 70 Ca 0.27 -1.77 -0.24 0.00 -0.02 0.00 0.00 54.58 52.82 2kb5 n ASN 70 Cb 0.47 -0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 37.67 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb5 s HIS 72 N -2.49 1.05 -0.17 0.00 3.76 -1.19 -3.09 115.29 113.15 2kb5 s HIS 72 Ca 0.30 -0.54 -0.09 0.00 -0.15 0.00 0.00 55.06 54.58 2kb5 s HIS 72 Cb -0.05 -0.59 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 2kb5 s HIS 72 CO 0.15 0.01 0.13 0.50 -0.85 0.00 0.00 174.74 174.68 2kb5 s ARG 73 N -2.08 3.93 0.52 1.40 3.52 -1.26 -3.42 118.95 121.56 2kb5 s ARG 73 Ca -0.01 -0.19 -0.20 0.00 -0.13 0.00 0.00 55.73 55.19 2kb5 s ARG 73 Cb -0.07 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 2kb5 s ARG 73 CO 0.01 0.46 0.74 0.45 -0.81 0.00 0.00 175.30 176.16 2kb5 n SER 74 N 3.00 -0.06 0.01 -2.12 2.88 -1.18 -4.93 113.62 111.22 2kb5 n SER 74 Ca -0.17 0.85 -0.19 0.00 -1.33 0.00 0.00 58.87 58.02 2kb5 n SER 74 Cb 0.53 -1.26 -0.14 0.00 -0.75 0.00 0.00 64.21 62.59 2kb5 n SER 74 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2kb5 h ARG 75 N 0.68 0.24 -6.35 -1.46 0.11 -1.95 -3.46 114.38 102.18 2kb5 h ARG 75 Ca -0.45 -0.41 -0.67 0.00 0.10 0.00 0.00 59.98 58.55 2kb5 h ARG 75 Cb 1.38 0.15 -0.16 0.00 1.11 0.00 0.00 29.97 32.45 2kb5 h ARG 75 CO 0.51 1.11 -0.70 -0.06 0.10 0.00 0.00 179.97 180.93 2kb5 s PHE 76 N -2.57 2.88 0.35 4.08 0.08 -1.26 -5.11 117.98 116.43 2kb5 s PHE 76 Ca -0.18 -0.06 -0.26 0.00 0.12 0.00 0.00 56.93 56.55 2kb5 s PHE 76 Cb 0.07 -1.56 -0.09 0.00 -0.57 0.00 0.00 43.02 40.86 2kb5 s PHE 76 CO 0.79 0.41 1.02 1.03 -0.10 0.00 0.00 175.22 178.37 2kb5 s ARG 77 N -1.75 4.41 0.02 0.44 0.52 -1.26 -4.71 118.95 116.63 2kb5 s ARG 77 Ca 0.20 1.50 -0.11 0.00 -0.52 0.00 0.00 55.73 56.80 2kb5 s ARG 77 Cb -0.11 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.60 2kb5 s ARG 77 CO 0.11 0.09 0.22 0.14 0.02 0.00 0.00 175.30 175.87 2kb5 s VAL 78 N -1.54 0.09 -0.08 3.52 -7.23 -1.15 -4.92 120.40 109.10 2kb5 s VAL 78 Ca 0.52 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 2kb5 s VAL 78 Cb -0.23 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2kb5 s VAL 78 CO 0.29 -0.41 1.51 -2.16 -0.31 0.00 0.00 175.10 174.01 2kb5 s PRO 79 N -2.12 4.21 0.39 4.82 0.04 -1.26 -1.75 135.00 139.33 2kb5 s PRO 79 Ca -0.08 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2kb5 s PRO 79 Cb -0.03 -3.86 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 2kb5 s PRO 79 CO -0.01 -0.77 0.06 -0.48 0.04 0.00 0.00 177.00 175.84 2kb5 s LEU 80 N 3.63 2.26 0.03 -3.56 0.05 0.86 -0.72 118.68 121.23 2kb5 s LEU 80 Ca 0.67 -1.49 0.07 0.00 0.05 0.00 0.00 54.13 53.42 2kb5 s LEU 80 Cb -0.30 -0.45 -0.02 0.00 -2.05 0.00 0.00 46.19 43.37 2kb5 s LEU 80 CO 0.25 -0.70 -0.20 -0.22 -0.55 0.00 0.00 176.35 174.93 2kb5 s LEU 81 N -3.61 2.14 0.15 1.48 1.98 0.33 -2.51 118.68 118.65 2kb5 s LEU 81 Ca 0.28 -0.49 0.07 0.00 -2.89 0.00 0.00 54.13 51.11 2kb5 s LEU 81 Cb 0.06 -0.96 -0.04 0.00 0.66 0.00 0.00 46.19 45.91 2kb5 s LEU 81 CO 0.14 0.17 -0.05 -1.00 -1.89 0.00 0.00 176.35 173.72 2kb5 s HIS 82 N -0.74 2.78 -0.27 5.38 3.76 -0.24 -1.62 115.29 124.34 2kb5 s HIS 82 Ca 0.07 -0.16 -0.07 0.00 -0.15 0.00 0.00 55.06 54.76 2kb5 s HIS 82 Cb -0.09 -1.38 0.14 0.00 1.11 0.00 0.00 32.58 32.36 2kb5 s HIS 82 CO 0.01 0.49 0.56 0.00 -0.85 0.00 0.00 174.74 174.96 2kb5 s ASP 84 N 2.80 2.44 -0.85 0.00 2.15 -1.22 -0.02 116.67 121.97 2kb5 s ASP 84 Ca 0.03 -0.43 -0.29 0.00 0.43 0.00 0.00 52.55 52.28 2kb5 s ASP 84 Cb -0.13 -1.11 -0.18 0.00 -0.30 0.00 0.00 42.92 41.20 2kb5 s ASP 84 CO -0.18 0.07 2.61 -0.11 -0.17 0.00 0.00 175.17 177.39 2kb5 n LEU 85 N 3.86 0.86 0.00 -1.34 7.94 -1.19 -2.17 117.00 124.96 2kb5 n LEU 85 Ca -0.20 -0.04 0.07 0.00 -1.11 0.00 0.00 56.01 54.73 2kb5 n LEU 85 Cb 0.52 -1.11 0.43 0.00 0.53 0.00 0.00 43.42 43.78 2kb5 n LEU 85 CO 0.26 -0.99 0.66 -0.38 -1.11 0.00 0.00 177.39 175.82 2kb5 n ILE 86 N 7.62 0.11 -3.81 1.96 5.41 -0.99 -4.00 119.36 125.67 2kb5 n ILE 86 Ca 0.58 0.03 -0.29 0.00 1.00 0.00 0.00 62.75 64.07 2kb5 n ILE 86 Cb 0.18 -0.79 -0.12 0.00 -0.71 0.00 0.00 39.64 38.19 2kb5 n ILE 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2kb5 s ASN 87 N -2.10 4.01 -0.13 4.38 4.22 -1.26 -5.03 114.94 119.03 2kb5 s ASN 87 Ca 0.21 -3.27 -0.29 0.00 -2.14 0.00 0.00 52.86 47.36 2kb5 s ASN 87 Cb 0.10 -1.35 -0.04 0.00 1.28 0.00 0.00 41.25 41.24 2kb5 s ASN 87 CO 0.18 -0.17 1.55 -2.16 -2.04 0.00 0.00 177.10 174.45 2kb5 s PRO 88 N -0.57 4.08 0.00 3.55 0.04 -1.26 -2.50 135.00 138.34 2kb5 s PRO 88 Ca 0.22 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2kb5 s PRO 88 Cb -0.13 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.46 2kb5 s PRO 88 CO -0.09 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.42 2kb5 n GLY 89 N 4.16 0.54 3.28 0.56 0.00 -1.26 -5.07 105.19 107.40 2kb5 n GLY 89 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2kb5 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb5 s ALA 90 N -2.00 2.71 -0.62 4.61 0.00 -1.04 -5.03 121.76 120.39 2kb5 s ALA 90 Ca 0.00 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.87 2kb5 s ALA 90 Cb 0.00 -1.55 0.33 0.00 0.00 0.00 0.00 23.12 21.90 2kb5 s ALA 90 CO 0.00 -0.33 0.99 1.04 0.00 0.00 0.00 175.76 177.46 2kb5 n GLN 91 N 4.60 3.34 -3.92 0.00 6.02 -1.26 -4.92 117.38 121.24 2kb5 n GLN 91 Ca -0.19 -4.84 -0.30 0.00 -0.01 0.00 0.00 57.00 51.66 2kb5 n GLN 91 Cb 0.51 -2.26 -0.14 0.00 1.02 0.00 0.00 30.24 29.37 2kb5 n GLN 91 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2kb5 s ASN 92 N -3.23 4.37 0.57 1.08 0.02 -1.26 -4.50 114.94 111.99 2kb5 s ASN 92 Ca 0.47 -2.51 0.42 0.00 -1.02 0.00 0.00 52.86 50.23 2kb5 s ASN 92 Cb 0.26 -1.48 1.50 0.00 0.02 0.00 0.00 41.25 41.55 2kb5 s ASN 92 CO -0.13 -0.31 1.54 0.16 0.02 0.00 0.00 177.10 178.39 2kb5 h ILE 93 N 5.98 0.06 0.00 0.60 3.07 -1.86 2.27 117.51 127.64 2kb5 h ILE 93 Ca -0.06 0.00 -0.25 0.00 1.55 0.00 0.00 64.86 66.10 2kb5 h ILE 93 Cb 0.96 0.07 0.01 0.00 -0.27 0.00 0.00 36.82 37.60 2kb5 h ILE 93 CO 0.58 0.00 -1.01 0.28 -1.05 0.00 0.00 178.15 176.94 2kb5 h SER 94 N 0.00 0.78 -0.21 2.16 0.02 -1.97 -3.29 113.55 111.05 2kb5 h SER 94 Ca 0.76 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2kb5 h SER 94 Cb 3.30 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 65.60 2kb5 h SER 94 CO -0.01 1.43 0.00 0.59 -1.14 0.00 0.00 176.83 177.70 2kb5 n ASN 95 N -3.82 3.54 -4.49 3.07 4.13 0.56 -4.95 115.26 113.31 2kb5 n ASN 95 Ca -0.10 -2.97 -0.43 0.00 1.68 0.00 0.00 54.58 52.77 2kb5 n ASN 95 Cb 0.87 -0.50 -0.04 0.00 -1.54 0.00 0.00 39.78 38.56 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb5 s ARG 97 N 3.76 3.68 0.19 0.00 1.81 -1.26 -4.93 118.95 122.19 2kb5 s ARG 97 Ca 0.26 0.03 0.11 0.00 -1.72 0.00 0.00 55.73 54.41 2kb5 s ARG 97 Cb -0.15 -2.85 -0.04 0.00 -0.45 0.00 0.00 34.95 31.46 2kb5 s ARG 97 CO 0.16 0.47 -0.24 0.71 -0.68 0.00 0.00 175.30 175.72 2kb5 s TYR 98 N -1.62 2.24 -0.52 -0.53 2.02 -1.26 -2.36 117.35 115.32 2kb5 s TYR 98 Ca 0.40 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.58 2kb5 s TYR 98 Cb -0.12 -1.12 0.12 0.00 -0.40 0.00 0.00 41.96 40.44 2kb5 s TYR 98 CO 0.22 0.47 0.46 0.00 -1.57 0.00 0.00 175.55 175.13 2kb5 s ALA 99 N -1.67 3.59 0.19 3.71 0.00 -0.92 -4.74 121.76 121.91 2kb5 s ALA 99 Ca 0.20 -2.50 -0.30 0.00 0.00 0.00 0.00 51.96 49.36 2kb5 s ALA 99 Cb -0.08 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 2kb5 s ALA 99 CO 0.09 -1.97 1.35 0.16 0.00 0.00 0.00 175.76 175.39 2kb5 s ASP 100 N 3.31 6.84 -0.26 0.00 -4.77 -1.26 -3.38 116.67 117.15 2kb5 s ASP 100 Ca 0.04 2.44 -0.01 0.00 -3.30 0.00 0.00 52.55 51.71 2kb5 s ASP 100 Cb -0.29 -2.61 0.14 0.00 -1.09 0.00 0.00 42.92 39.07 2kb5 s ASP 100 CO 0.03 -0.58 0.36 -0.13 0.70 0.00 0.00 175.17 175.54 2kb5 s ARG 101 N 0.05 0.35 0.65 2.11 0.52 -0.81 -4.96 118.95 116.87 2kb5 s ARG 101 Ca 0.58 0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 55.89 2kb5 s ARG 101 Cb -0.37 -0.53 -0.00 0.00 0.52 0.00 0.00 34.95 34.56 2kb5 s ARG 101 CO 0.38 -0.84 1.11 -1.25 0.02 0.00 0.00 175.30 174.72 2kb5 s PRO 102 N 2.49 2.82 0.00 3.54 0.04 -1.26 -1.07 135.00 141.55 2kb5 s PRO 102 Ca 0.11 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2kb5 s PRO 102 Cb -0.14 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2kb5 s PRO 102 CO -0.23 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2kb5 n GLY 103 N -0.50 1.04 3.09 0.56 0.00 -1.04 -4.91 105.19 103.43 2kb5 n GLY 103 Ca 0.10 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2kb5 n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb5 s ARG 104 N -2.00 2.20 0.22 1.61 3.52 -1.26 -0.10 118.95 123.13 2kb5 s ARG 104 Ca 0.00 -1.40 -0.14 0.00 -0.13 0.00 0.00 55.73 54.06 2kb5 s ARG 104 Cb 0.00 -3.01 0.05 0.00 -1.56 0.00 0.00 34.95 30.43 2kb5 s ARG 104 CO 0.00 -0.63 0.71 0.54 -0.81 0.00 0.00 175.30 175.10 2kb5 n ARG 105 N 4.46 0.67 -0.72 5.12 1.74 -0.72 -4.81 116.66 122.40 2kb5 n ARG 105 Ca -0.12 -1.40 -0.15 0.00 -0.77 0.00 0.00 57.85 55.41 2kb5 n ARG 105 Cb 0.42 1.81 0.12 0.00 -1.02 0.00 0.00 32.46 33.80 2kb5 n ARG 105 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2kb5 n PHE 106 N -0.49 -3.68 -3.70 -1.55 3.72 -1.23 -2.95 117.46 107.58 2kb5 n PHE 106 Ca -0.04 -0.55 -0.12 0.00 -0.05 0.00 0.00 57.45 56.69 2kb5 n PHE 106 Cb 0.45 -0.57 -0.10 0.00 -0.94 0.00 0.00 39.48 38.32 2kb5 n PHE 106 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2kb5 s TYR 107 N -2.23 -0.58 -0.49 1.38 -0.85 -1.26 -1.64 117.35 111.69 2kb5 s TYR 107 Ca 0.38 1.32 -0.16 0.00 -0.52 0.00 0.00 57.07 58.09 2kb5 s TYR 107 Cb -0.03 0.23 0.08 0.00 0.38 0.00 0.00 41.96 42.63 2kb5 s TYR 107 CO 0.28 -0.30 0.46 0.08 -1.52 0.00 0.00 175.55 174.55 2kb5 s VAL 108 N 0.71 5.15 -0.13 -3.49 1.01 0.28 -3.09 120.40 120.83 2kb5 s VAL 108 Ca -0.04 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2kb5 s VAL 108 Cb -0.05 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 2kb5 s VAL 108 CO -0.05 -0.67 -0.14 0.68 0.00 0.00 0.00 175.10 174.92 2kb5 s VAL 109 N 1.86 2.94 -0.63 2.92 -7.23 -1.22 -0.26 120.40 118.78 2kb5 s VAL 109 Ca 0.06 -0.70 -0.25 0.00 -1.81 0.00 0.00 61.98 59.28 2kb5 s VAL 109 Cb -0.24 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.52 2kb5 s VAL 109 CO 0.07 0.53 1.08 0.00 -0.31 0.00 0.00 175.10 176.47 2kb5 s ALA 110 N 0.40 3.01 -0.13 1.32 0.00 -0.22 -3.17 121.76 122.98 2kb5 s ALA 110 Ca -0.11 -1.30 -0.20 0.00 0.00 0.00 0.00 51.96 50.34 2kb5 s ALA 110 Cb -0.16 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 2kb5 s ALA 110 CO 0.05 -2.75 0.58 0.00 0.00 0.00 0.00 175.76 173.65 2kb5 s ASP 112 N 0.85 0.91 0.01 0.00 2.15 -0.76 -4.76 116.67 115.07 2kb5 s ASP 112 Ca 0.30 -1.13 -0.34 0.00 0.43 0.00 0.00 52.55 51.81 2kb5 s ASP 112 Cb -0.16 0.16 -0.13 0.00 -0.30 0.00 0.00 42.92 42.49 2kb5 s ASP 112 CO 0.13 -0.59 1.73 0.59 -0.17 0.00 0.00 175.17 176.86 2kb5 n ASN 113 N -0.13 3.19 -4.87 -0.34 3.02 -1.26 -2.86 115.26 112.01 2kb5 n ASN 113 Ca -0.08 1.03 -0.26 0.00 -0.03 0.00 0.00 54.58 55.24 2kb5 n ASN 113 Cb 0.63 -1.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.40 2kb5 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb5 s ARG 114 N 2.63 2.28 0.03 3.52 1.04 -1.23 -4.96 118.95 122.26 2kb5 s ARG 114 Ca 0.87 -1.95 -0.30 0.00 -1.04 0.00 0.00 55.73 53.31 2kb5 s ARG 114 Cb -0.71 -2.10 -0.07 0.00 -2.04 0.00 0.00 34.95 30.03 2kb5 s ARG 114 CO 0.46 -0.49 1.54 0.34 -0.04 0.00 0.00 175.30 177.11 2kb5 s ASP 115 N -4.20 6.72 0.00 -2.89 -1.08 -1.26 -4.86 116.67 109.09 2kb5 s ASP 115 Ca 0.36 2.31 0.06 0.00 -0.52 0.00 0.00 52.55 54.75 2kb5 s ASP 115 Cb -0.01 -2.56 0.35 0.00 -1.46 0.00 0.00 42.92 39.24 2kb5 s ASP 115 CO 0.21 -0.81 0.81 -0.81 0.52 0.00 0.00 175.17 175.09 2kb5 n PRO 116 N 5.55 0.49 -0.00 4.34 -0.04 -1.26 -1.93 135.00 142.15 2kb5 n PRO 116 Ca 0.15 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2kb5 n PRO 116 Cb 0.42 -1.19 -0.13 0.00 -0.04 0.00 0.00 33.50 32.56 2kb5 n PRO 116 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2kb5 n ARG 117 N -0.69 0.47 -0.13 0.54 1.85 -1.26 -4.39 116.66 113.05 2kb5 n ARG 117 Ca 0.04 -0.05 -0.27 0.00 -1.00 0.00 0.00 57.85 56.57 2kb5 n ARG 117 Cb 0.02 -1.45 -0.10 0.00 -1.05 0.00 0.00 32.46 29.88 2kb5 n ARG 117 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kb5 n ASP 118 N -1.68 1.91 -3.82 2.89 9.92 -0.81 -4.88 116.55 120.07 2kb5 n ASP 118 Ca 0.02 0.24 -0.30 0.00 -0.53 0.00 0.00 54.79 54.22 2kb5 n ASP 118 Cb 0.37 -0.71 -0.15 0.00 -0.64 0.00 0.00 41.12 40.00 2kb5 n ASP 118 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2kb5 s SER 119 N -7.22 4.20 -0.02 -2.24 0.15 -1.20 -5.00 113.70 102.37 2kb5 s SER 119 Ca -0.37 -2.00 -0.25 0.00 0.70 0.00 0.00 55.95 54.04 2kb5 s SER 119 Cb 0.13 -1.14 -0.19 0.00 -1.71 0.00 0.00 66.02 63.11 2kb5 s SER 119 CO 0.49 -0.38 1.18 1.55 1.20 0.00 0.00 173.24 177.29 2kb5 h PRO 120 N 7.68 -0.12 0.67 5.44 0.13 -1.87 -3.36 132.00 140.57 2kb5 h PRO 120 Ca -0.09 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2kb5 h PRO 120 Cb 1.00 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.16 2kb5 h PRO 120 CO 0.50 0.33 -0.32 0.07 -0.23 0.00 0.00 178.00 178.34 2kb5 h ARG 121 N -0.61 -0.87 -6.39 0.86 0.11 -1.95 -3.41 114.38 102.12 2kb5 h ARG 121 Ca -0.01 0.06 -0.57 0.00 0.10 0.00 0.00 59.98 59.56 2kb5 h ARG 121 Cb 0.50 0.20 -0.04 0.00 1.11 0.00 0.00 29.97 31.73 2kb5 h ARG 121 CO 0.02 -0.55 1.10 0.71 0.10 0.00 0.00 179.97 181.35 2kb5 s TYR 122 N -4.84 2.29 -0.02 4.08 2.02 -1.26 -4.91 117.35 114.72 2kb5 s TYR 122 Ca -0.15 0.68 -0.25 0.00 -0.37 0.00 0.00 57.07 56.98 2kb5 s TYR 122 Cb 0.02 -4.12 -0.19 0.00 -0.40 0.00 0.00 41.96 37.27 2kb5 s TYR 122 CO 0.46 -2.31 1.20 -1.00 -1.57 0.00 0.00 175.55 172.33 2kb5 h PRO 123 N 10.77 -0.09 -6.28 -1.71 0.13 -1.80 -3.43 132.00 129.58 2kb5 h PRO 123 Ca -0.30 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.26 2kb5 h PRO 123 Cb 1.13 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 2kb5 h PRO 123 CO 1.05 0.36 -0.64 0.54 -0.23 0.00 0.00 178.00 179.07 2kb5 s VAL 124 N -4.19 3.67 0.07 1.56 0.11 -1.26 -3.57 120.40 116.79 2kb5 s VAL 124 Ca -0.15 -1.61 -0.12 0.00 -2.93 0.00 0.00 61.98 57.17 2kb5 s VAL 124 Cb 0.02 -2.90 0.01 0.00 -1.53 0.00 0.00 36.38 31.98 2kb5 s VAL 124 CO 0.62 -0.23 0.27 0.68 -3.33 0.00 0.00 175.10 173.11 2kb5 s VAL 125 N -1.98 0.10 0.23 2.04 -7.23 -1.13 -4.89 120.40 107.54 2kb5 s VAL 125 Ca 0.29 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 2kb5 s VAL 125 Cb -0.08 -1.07 -0.09 0.00 0.56 0.00 0.00 36.38 35.70 2kb5 s VAL 125 CO 0.20 -0.46 1.28 -2.16 -0.31 0.00 0.00 175.10 173.65 2kb5 s PRO 126 N -3.07 4.41 0.00 4.82 0.04 -1.26 -1.83 135.00 138.12 2kb5 s PRO 126 Ca -0.01 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2kb5 s PRO 126 Cb 0.01 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2kb5 s PRO 126 CO -0.07 -0.18 0.34 1.33 0.04 0.00 0.00 177.00 178.46 2kb5 n VAL 127 N 2.11 0.12 -3.57 -0.36 0.24 -0.62 -4.31 118.33 111.94 2kb5 n VAL 127 Ca 0.04 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 2kb5 n VAL 127 Cb 0.43 1.37 -0.06 0.00 -1.47 0.00 0.00 33.84 34.11 2kb5 n VAL 127 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2kb5 s HIS 128 N -0.12 -0.53 -0.29 6.34 5.65 -1.25 -4.97 115.29 120.12 2kb5 s HIS 128 Ca 0.00 1.00 0.02 0.00 0.25 0.00 0.00 55.06 56.33 2kb5 s HIS 128 Cb 0.00 0.41 0.08 0.00 -1.18 0.00 0.00 32.58 31.89 2kb5 s HIS 128 CO 0.00 -0.43 -0.00 -1.17 -0.65 0.00 0.00 174.74 172.49 2kb5 s LEU 129 N -0.83 3.56 0.05 8.88 2.96 -1.26 -1.05 118.68 130.99 2kb5 s LEU 129 Ca -0.04 -1.67 -0.33 0.00 -0.22 0.00 0.00 54.13 51.87 2kb5 s LEU 129 Cb -0.01 -1.39 -0.19 0.00 0.50 0.00 0.00 46.19 45.11 2kb5 s LEU 129 CO 0.04 -0.31 1.46 -0.78 -1.32 0.00 0.00 176.35 175.44 2kb5 h ASP 130 N 7.80 -0.90 -1.72 3.68 1.82 -1.03 -3.49 116.42 122.59 2kb5 h ASP 130 Ca -0.12 0.02 0.15 0.00 -0.39 0.00 0.00 57.03 56.68 2kb5 h ASP 130 Cb 1.04 0.23 -0.03 0.00 0.68 0.00 0.00 39.33 41.25 2kb5 h ASP 130 CO 0.47 -0.59 0.46 1.07 -1.61 0.00 0.00 179.24 179.04 2kb5 n THR 131 N -5.52 0.00 -3.96 2.25 5.66 -1.25 -5.00 114.28 106.46 2kb5 n THR 131 Ca -0.14 -0.27 -0.31 0.00 -3.05 0.00 0.00 64.05 60.28 2kb5 n THR 131 Cb 0.43 0.46 -0.15 0.00 -1.55 0.00 0.00 70.33 69.51 2kb5 n THR 131 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2kb5 s THR 132 N -2.18 1.61 0.00 1.09 -4.23 -1.26 -0.56 115.64 110.11 2kb5 s THR 132 Ca 0.17 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 2kb5 s THR 132 Cb -0.01 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.97 2kb5 s THR 132 CO 0.02 -0.09 0.22 0.00 -0.54 0.00 0.00 174.62 174.23