#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 0.37 0.49 -0.14 0.04 -1.26 -4.94 135.00 129.56 2kb5 s PRO 2 Ca 0.00 0.51 0.32 0.00 0.04 0.00 0.00 61.00 61.87 2kb5 s PRO 2 Cb 0.00 -1.73 1.33 0.00 0.04 0.00 0.00 34.50 34.14 2kb5 s PRO 2 CO 0.00 -2.77 1.94 -1.00 0.04 0.00 0.00 177.00 175.21 2kb5 h PRO 3 N -1.92 0.00 0.00 0.56 0.13 -1.98 -2.80 132.00 125.99 2kb5 h PRO 3 Ca -0.55 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.48 2kb5 h PRO 3 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2kb5 h PRO 3 CO 0.57 0.00 -0.47 0.37 -0.23 0.00 0.00 178.00 178.24 2kb5 h GLN 4 N 0.00 0.00 -4.76 0.86 5.75 -2.04 -3.42 115.11 111.50 2kb5 h GLN 4 Ca 0.00 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.90 2kb5 h GLN 4 Cb 0.46 0.00 -0.35 0.00 1.07 0.00 0.00 27.48 28.66 2kb5 h GLN 4 CO 0.00 0.47 -0.84 -0.06 -2.65 0.00 0.00 178.83 175.75 2kb5 s PHE 5 N -3.77 2.11 0.68 3.99 0.08 -1.06 -5.06 117.98 114.95 2kb5 s PHE 5 Ca -0.01 -1.07 -0.11 0.00 0.12 0.00 0.00 56.93 55.86 2kb5 s PHE 5 Cb 0.13 -1.52 0.18 0.00 -0.57 0.00 0.00 43.02 41.23 2kb5 s PHE 5 CO 0.72 -0.55 0.43 0.25 -0.10 0.00 0.00 175.22 175.97 2kb5 n THR 6 N 4.37 0.00 0.07 0.64 -2.24 -1.26 -4.38 114.28 111.48 2kb5 n THR 6 Ca -0.18 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 2kb5 n THR 6 Cb 0.51 -0.57 0.01 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.33 0.00 -0.78 3.08 -1.95 -2.86 114.38 112.19 2kb5 h ARG 7 Ca -0.19 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2kb5 h ARG 7 Cb 0.62 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2kb5 h ARG 7 CO 0.11 0.97 -0.26 0.00 -1.07 0.00 0.00 179.97 179.73 2kb5 h ALA 8 N 0.93 0.00 -1.18 0.04 0.00 -1.92 -3.08 119.26 114.04 2kb5 h ALA 8 Ca -0.04 -0.36 0.34 0.00 0.00 0.00 0.00 54.91 54.85 2kb5 h ALA 8 Cb 1.40 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 2kb5 h ALA 8 CO 0.13 0.26 0.93 -0.56 0.00 0.00 0.00 179.25 180.02 2kb5 h GLN 9 N -0.58 0.00 0.00 0.00 -0.00 -1.85 1.39 115.11 114.07 2kb5 h GLN 9 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.47 2kb5 h GLN 9 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.71 2kb5 h GLN 9 CO 0.00 0.00 -1.05 2.35 -0.00 0.00 0.00 178.83 180.13 2kb5 h TRP 10 N 0.00 0.00 0.10 0.06 -0.00 -1.67 -3.20 115.95 111.24 2kb5 h TRP 10 Ca 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.45 2kb5 h TRP 10 Cb 2.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.58 2kb5 h TRP 10 CO 0.00 0.72 -0.05 0.35 -0.00 0.00 0.00 178.44 179.46 2kb5 h PHE 11 N 0.00 -0.12 0.00 2.65 3.04 0.20 -2.88 116.94 119.83 2kb5 h PHE 11 Ca -0.09 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.81 2kb5 h PHE 11 Cb 1.63 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 40.17 2kb5 h PHE 11 CO 0.00 0.13 -0.21 0.00 -2.02 0.00 0.00 178.31 176.21 2kb5 h ALA 12 N 0.52 1.39 -0.77 2.41 0.00 -1.59 0.40 119.26 121.62 2kb5 h ALA 12 Ca -0.01 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2kb5 h ALA 12 Cb 0.30 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2kb5 h ALA 12 CO 0.02 0.26 0.35 0.82 0.00 0.00 0.00 179.25 180.70 2kb5 h ILE 13 N 0.00 0.71 0.00 0.00 1.08 -1.49 2.97 117.51 120.78 2kb5 h ILE 13 Ca -0.00 -0.18 -0.25 0.00 -0.39 0.00 0.00 64.86 64.04 2kb5 h ILE 13 Cb 0.45 0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.30 2kb5 h ILE 13 CO 0.03 0.10 -2.06 0.00 -0.69 0.00 0.00 178.15 175.52 2kb5 n GLN 14 N -4.94 1.24 0.00 2.37 10.64 -1.10 -4.37 117.38 121.22 2kb5 n GLN 14 Ca 0.14 -0.03 0.13 0.00 -1.83 0.00 0.00 57.00 55.41 2kb5 n GLN 14 Cb 0.39 -1.41 0.36 0.00 -0.86 0.00 0.00 30.24 28.72 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 -3.67 2.61 8.25 0.14 -4.12 115.22 115.90 2kb5 n HIS 15 Ca -0.23 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.04 2kb5 n HIS 15 Cb 0.94 -0.14 -0.18 0.00 1.12 0.00 0.00 29.99 31.73 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 -2.58 -0.13 -0.20 1.59 1.09 0.99 -1.67 121.20 120.28 2kb5 s ILE 16 Ca 0.22 0.41 -0.05 0.00 -1.10 0.00 0.00 60.65 60.13 2kb5 s ILE 16 Cb 0.19 -0.17 0.10 0.00 -1.06 0.00 0.00 42.46 41.52 2kb5 s ILE 16 CO 0.55 0.17 0.37 -0.44 -0.10 0.00 0.00 174.94 175.49 2kb5 s SER 17 N 2.14 0.06 0.06 3.58 0.01 -0.69 -4.21 113.70 114.65 2kb5 s SER 17 Ca 0.04 0.64 -0.28 0.00 1.31 0.00 0.00 55.95 57.66 2kb5 s SER 17 Cb -0.12 1.13 -0.17 0.00 0.21 0.00 0.00 66.02 67.07 2kb5 s SER 17 CO -0.03 -0.26 1.54 -0.07 0.41 0.00 0.00 173.24 174.83 2kb5 h LEU 18 N 8.20 -0.48 -5.93 2.44 3.38 -1.79 -3.26 115.31 117.88 2kb5 h LEU 18 Ca -0.17 -0.04 -0.55 0.00 0.09 0.00 0.00 57.88 57.22 2kb5 h LEU 18 Cb 1.13 0.12 -0.40 0.00 0.09 0.00 0.00 40.66 41.60 2kb5 h LEU 18 CO 0.18 -0.26 -0.98 0.59 0.09 0.00 0.00 178.44 178.05 2kb5 n ASN 19 N -5.29 1.66 -4.75 -0.43 3.02 -1.26 -4.77 115.26 103.43 2kb5 n ASN 19 Ca -0.11 -3.07 -0.41 0.00 -0.03 0.00 0.00 54.58 50.96 2kb5 n ASN 19 Cb 0.26 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 2kb5 n ASN 19 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kb5 s PRO 20 N -2.15 4.42 0.00 3.52 0.04 -1.26 -5.04 135.00 134.53 2kb5 s PRO 20 Ca 0.40 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2kb5 s PRO 20 Cb 0.24 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2kb5 s PRO 20 CO -0.09 -0.16 0.00 -0.35 0.04 0.00 0.00 177.00 176.45 2kb5 n PRO 21 N 1.89 0.66 -1.85 0.56 -0.04 -1.26 -4.90 135.00 130.05 2kb5 n PRO 21 Ca 0.03 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 2kb5 n PRO 21 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.51 4.17 0.45 0.54 1.81 -1.26 -4.52 118.95 119.64 2kb5 s ARG 22 Ca 0.00 2.43 0.37 0.00 -1.72 0.00 0.00 55.73 56.80 2kb5 s ARG 22 Cb 0.00 -3.62 1.26 0.00 -0.45 0.00 0.00 34.95 32.13 2kb5 s ARG 22 CO 0.00 -0.78 1.21 0.00 -0.68 0.00 0.00 175.30 175.05 2kb5 h THR 24 N 0.00 0.51 0.04 0.00 2.02 -1.84 -3.12 112.91 110.52 2kb5 h THR 24 Ca 0.68 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 67.51 2kb5 h THR 24 Cb 2.90 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 69.77 2kb5 h THR 24 CO -0.01 0.00 -2.07 -0.38 0.37 0.00 0.00 175.52 173.43 2kb5 n ILE 25 N -5.35 1.61 0.26 3.11 5.41 0.24 -4.14 119.36 120.50 2kb5 n ILE 25 Ca -0.08 -0.72 0.10 0.00 1.00 0.00 0.00 62.75 63.05 2kb5 n ILE 25 Cb 0.26 -1.24 0.39 0.00 -0.71 0.00 0.00 39.64 38.35 2kb5 n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kb5 h ALA 26 N 0.50 1.87 -0.72 -1.39 0.00 -0.45 1.64 119.26 120.71 2kb5 h ALA 26 Ca -0.43 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.10 2kb5 h ALA 26 Cb 2.04 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 19.62 2kb5 h ALA 26 CO 0.04 -0.82 0.34 -1.33 0.00 0.00 0.00 179.25 177.49 2kb5 n MET 27 N -2.80 2.11 -0.10 0.00 2.81 -1.18 -4.52 117.12 113.45 2kb5 n MET 27 Ca 0.02 -3.09 -0.23 0.00 -1.81 0.00 0.00 57.70 52.60 2kb5 n MET 27 Cb 0.81 -2.03 -0.12 0.00 -0.71 0.00 0.00 33.22 31.17 2kb5 n MET 27 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2kb5 n ARG 28 N -1.12 0.59 0.11 0.03 -4.01 0.56 -3.27 116.66 109.56 2kb5 n ARG 28 Ca 0.48 0.51 -0.03 0.00 -1.04 0.00 0.00 57.85 57.77 2kb5 n ARG 28 Cb 1.40 -1.72 0.12 0.00 -3.04 0.00 0.00 32.46 29.22 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kb5 h ALA 29 N -0.47 0.85 0.02 2.89 0.00 -1.79 -3.13 119.26 117.63 2kb5 h ALA 29 Ca -0.39 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 53.92 2kb5 h ALA 29 Cb 1.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kb5 h ALA 29 CO -0.20 0.81 -0.01 0.82 0.00 0.00 0.00 179.25 180.68 2kb5 h ILE 30 N 0.05 0.00 -0.57 0.00 5.03 -1.80 -3.24 117.51 116.98 2kb5 h ILE 30 Ca -0.01 -0.03 0.16 0.00 -0.12 0.00 0.00 64.86 64.86 2kb5 h ILE 30 Cb 1.19 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.96 2kb5 h ILE 30 CO 0.09 0.00 1.00 0.78 -0.68 0.00 0.00 178.15 179.34 2kb5 h ASN 31 N -0.05 0.00 0.00 1.72 2.35 -1.70 0.44 115.58 118.34 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 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2kb5 h ASN 31 CO 0.00 0.00 0.24 -3.20 -1.65 0.00 0.00 177.43 172.83 2kb5 n ASN 32 N -3.04 0.37 0.28 5.81 5.15 -1.18 -0.27 115.26 122.38 2kb5 n ASN 32 Ca 0.12 0.58 0.16 0.00 -0.60 0.00 0.00 54.58 54.85 2kb5 n ASN 32 Cb 1.18 -0.55 0.82 0.00 -0.53 0.00 0.00 39.78 40.70 2kb5 n ASN 32 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2kb5 h TYR 33 N 0.00 0.00 -3.57 1.20 -0.00 -0.33 -3.46 116.97 110.81 2kb5 h TYR 33 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.53 2kb5 h TYR 33 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.17 2kb5 h TYR 33 CO 0.00 0.06 -0.04 0.54 -0.00 0.00 0.00 178.16 178.72 2kb5 n ARG 34 N -3.32 0.71 -0.75 0.10 5.12 0.63 -3.72 116.66 115.42 2kb5 n ARG 34 Ca -0.01 -2.36 0.08 0.00 -1.93 0.00 0.00 57.85 53.63 2kb5 n ARG 34 Cb 0.23 2.41 0.37 0.00 -1.16 0.00 0.00 32.46 34.31 2kb5 n ARG 34 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2kb5 n TRP 35 N -0.50 1.77 -4.56 -1.55 8.01 -1.26 -4.93 117.44 114.42 2kb5 n TRP 35 Ca -0.01 -0.65 -0.26 0.00 -1.31 0.00 0.00 57.50 55.27 2kb5 n TRP 35 Cb 0.52 -0.39 -0.10 0.00 -2.01 0.00 0.00 31.31 29.34 2kb5 n TRP 35 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.69 175.70 2kb5 s ARG 36 N -2.32 1.87 0.42 -0.99 1.70 -1.26 -4.75 118.95 113.62 2kb5 s ARG 36 Ca 0.52 -2.09 0.07 0.00 -0.47 0.00 0.00 55.73 53.75 2kb5 s ARG 36 Cb 0.37 -1.11 -0.04 0.00 -0.57 0.00 0.00 34.95 33.59 2kb5 s ARG 36 CO 0.19 -0.24 0.23 0.00 -1.08 0.00 0.00 175.30 174.40 2kb5 s LYS 38 N -3.96 2.87 -0.00 0.00 -0.14 -1.26 -5.02 119.74 112.22 2kb5 s LYS 38 Ca 0.42 -0.78 -0.09 0.00 -1.36 0.00 0.00 55.97 54.16 2kb5 s LYS 38 Cb 0.02 -2.68 -0.31 0.00 -1.68 0.00 0.00 37.83 33.18 2kb5 s LYS 38 CO 0.23 0.53 0.84 -0.97 -0.76 0.00 0.00 175.35 175.23 2kb5 h ASN 39 N 2.91 0.59 -3.88 2.83 -0.73 -1.95 -3.38 115.58 111.98 2kb5 h ASN 39 Ca -0.47 -0.77 -0.19 0.00 1.87 0.00 0.00 56.30 56.74 2kb5 h ASN 39 Cb 1.18 -0.19 -0.26 0.00 0.27 0.00 0.00 38.32 39.32 2kb5 h ASN 39 CO 0.64 1.64 -0.53 -1.10 -0.37 0.00 0.00 177.43 177.70 2kb5 s GLN 40 N -2.60 0.20 0.03 6.67 -0.21 -1.26 0.02 119.66 122.51 2kb5 s GLN 40 Ca -0.11 0.17 -0.06 0.00 0.02 0.00 0.00 55.36 55.38 2kb5 s GLN 40 Cb 0.06 0.10 -0.01 0.00 1.00 0.00 0.00 33.01 34.15 2kb5 s GLN 40 CO 0.88 -0.03 0.10 1.21 -2.12 0.00 0.00 175.29 175.33 2kb5 s ASN 41 N -0.03 0.14 -0.04 5.90 2.47 -1.03 -4.98 114.94 117.37 2kb5 s ASN 41 Ca -0.01 -0.45 -0.02 0.00 0.42 0.00 0.00 52.86 52.80 2kb5 s ASN 41 Cb -0.02 0.22 0.03 0.00 -1.45 0.00 0.00 41.25 40.03 2kb5 s ASN 41 CO 0.00 -0.47 0.06 -0.89 -3.72 0.00 0.00 177.10 172.08 2kb5 s THR 42 N -2.27 -0.09 -0.36 -5.21 2.01 -1.26 -0.57 115.64 107.89 2kb5 s THR 42 Ca -0.08 0.41 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 2kb5 s THR 42 Cb -0.03 -0.17 0.06 0.00 0.01 0.00 0.00 72.50 72.37 2kb5 s THR 42 CO -0.03 0.18 0.15 -0.36 -0.69 0.00 0.00 174.62 173.87 2kb5 s PHE 43 N 2.16 3.32 -0.13 4.92 0.40 0.12 -4.10 117.98 124.68 2kb5 s PHE 43 Ca 0.05 -1.64 -0.28 0.00 -0.60 0.00 0.00 56.93 54.46 2kb5 s PHE 43 Cb -0.12 -2.56 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 2kb5 s PHE 43 CO -0.03 -0.80 0.92 -0.51 0.70 0.00 0.00 175.22 175.50 2kb5 s LEU 44 N 1.35 4.22 -1.15 -0.37 1.43 -0.67 -0.18 118.68 123.32 2kb5 s LEU 44 Ca 0.00 1.37 -0.22 0.00 -1.03 0.00 0.00 54.13 54.26 2kb5 s LEU 44 Cb -0.21 -3.40 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 2kb5 s LEU 44 CO 0.01 -0.41 1.92 0.54 0.23 0.00 0.00 176.35 178.64 2kb5 n ARG 45 N 5.02 1.70 -3.50 1.70 1.74 -0.64 -1.70 116.66 120.99 2kb5 n ARG 45 Ca 0.06 -2.45 -0.10 0.00 -0.77 0.00 0.00 57.85 54.60 2kb5 n ARG 45 Cb 0.49 -3.62 -0.02 0.00 -1.02 0.00 0.00 32.46 28.29 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 9.83 0.00 0.29 0.55 -1.32 -1.26 -4.71 115.64 119.02 2kb5 s THR 46 Ca 0.66 -0.09 -0.12 0.00 -1.21 0.00 0.00 61.69 60.94 2kb5 s THR 46 Cb 0.02 -1.10 -0.08 0.00 -1.51 0.00 0.00 72.50 69.83 2kb5 s THR 46 CO 0.13 0.00 0.65 0.42 -2.21 0.00 0.00 174.62 173.61 2kb5 s THR 47 N -3.46 4.82 0.41 5.08 -4.23 -1.26 -4.35 115.64 112.65 2kb5 s THR 47 Ca 0.04 0.66 0.23 0.00 -1.18 0.00 0.00 61.69 61.44 2kb5 s THR 47 Cb -0.01 -3.63 0.43 0.00 1.34 0.00 0.00 72.50 70.62 2kb5 s THR 47 CO -0.09 -0.17 1.68 0.15 -0.54 0.00 0.00 174.62 175.64 2kb5 h PHE 48 N 2.25 0.63 0.34 3.99 3.57 -1.97 0.49 116.94 126.25 2kb5 h PHE 48 Ca -0.47 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 2kb5 h PHE 48 Cb 1.17 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 2kb5 h PHE 48 CO 0.61 -0.11 -0.31 0.00 -2.23 0.00 0.00 178.31 176.28 2kb5 h ALA 49 N 1.65 -0.68 -0.57 2.41 0.00 -2.00 -0.78 119.26 119.30 2kb5 h ALA 49 Ca 0.72 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.69 2kb5 h ALA 49 Cb 2.04 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 20.25 2kb5 h ALA 49 CO -0.40 -0.91 0.46 -0.91 0.00 0.00 0.00 179.25 177.48 2kb5 h ASN 50 N -0.67 0.00 -0.03 0.00 2.35 -1.29 -0.60 115.58 115.34 2kb5 h ASN 50 Ca -0.02 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 2kb5 h ASN 50 Cb 0.60 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.98 2kb5 h ASN 50 CO -0.04 0.00 -0.36 0.58 -1.65 0.00 0.00 177.43 175.96 2kb5 h VAL 51 N 0.00 1.47 -0.50 2.81 2.07 -1.02 -3.14 116.25 117.93 2kb5 h VAL 51 Ca 0.27 -1.88 0.01 0.00 0.82 0.00 0.00 66.70 65.92 2kb5 h VAL 51 Cb 1.19 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.47 2kb5 h VAL 51 CO -0.00 0.53 0.33 0.58 0.02 0.00 0.00 177.57 179.03 2kb5 h VAL 52 N -0.27 1.13 0.00 2.57 2.07 0.25 -0.50 116.25 121.49 2kb5 h VAL 52 Ca -0.04 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2kb5 h VAL 52 Cb 1.06 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2kb5 h VAL 52 CO 0.07 0.12 -0.06 -1.13 0.02 0.00 0.00 177.57 176.59 2kb5 h ASN 53 N 0.68 0.00 1.30 0.57 -1.24 -1.37 -2.43 115.58 113.09 2kb5 h ASN 53 Ca 0.19 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.12 2kb5 h ASN 53 Cb -0.07 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 2kb5 h ASN 53 CO -0.04 0.06 -0.37 0.58 -1.29 0.00 0.00 177.43 176.37 2kb5 h VAL 54 N 0.00 0.71 0.00 2.57 2.07 -1.04 -3.13 116.25 117.43 2kb5 h VAL 54 Ca -0.00 -1.72 -0.12 0.00 0.82 0.00 0.00 66.70 65.67 2kb5 h VAL 54 Cb 0.50 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 2kb5 h VAL 54 CO 0.01 0.36 -0.57 0.00 0.02 0.00 0.00 177.57 177.39 2kb5 n GLY 56 N 1.22 -0.59 3.98 0.00 0.00 -1.18 -4.76 105.19 103.86 2kb5 n GLY 56 Ca 0.02 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.77 5.91 -0.50 1.61 0.01 -1.20 -4.97 114.94 114.03 2kb5 s ASN 57 Ca 0.17 -0.03 -0.37 0.00 -0.71 0.00 0.00 52.86 51.92 2kb5 s ASN 57 Cb 0.08 -1.32 -0.15 0.00 0.41 0.00 0.00 41.25 40.27 2kb5 s ASN 57 CO 0.13 -0.53 2.26 1.67 -1.51 0.00 0.00 177.10 179.12 2kb5 n GLN 58 N -1.79 0.57 -2.13 -0.60 -0.06 -1.26 -4.86 117.38 107.25 2kb5 n GLN 58 Ca 0.00 0.13 -0.41 0.00 -2.00 0.00 0.00 57.00 54.73 2kb5 n GLN 58 Cb 0.58 -2.08 -0.02 0.00 -4.06 0.00 0.00 30.24 24.66 2kb5 n GLN 58 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2kb5 s SER 59 N 7.46 6.78 0.43 1.69 1.04 -1.26 -4.68 113.70 125.15 2kb5 s SER 59 Ca 1.16 2.67 0.03 0.00 0.48 0.00 0.00 55.95 60.30 2kb5 s SER 59 Cb -1.08 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 62.36 2kb5 s SER 59 CO 0.53 -0.53 0.05 0.27 0.98 0.00 0.00 173.24 174.55 2kb5 s ILE 60 N -1.15 1.09 -0.15 -1.02 -4.36 -0.89 -5.01 121.20 109.72 2kb5 s ILE 60 Ca 0.49 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.63 2kb5 s ILE 60 Cb -0.39 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 2kb5 s ILE 60 CO 0.52 0.00 0.81 0.00 0.24 0.00 0.00 174.94 176.51 2kb5 s ARG 61 N -3.80 4.33 0.45 0.37 1.70 -1.26 -4.00 118.95 116.73 2kb5 s ARG 61 Ca 0.20 1.00 -0.25 0.00 -0.47 0.00 0.00 55.73 56.21 2kb5 s ARG 61 Cb 0.04 -3.55 -0.08 0.00 -0.57 0.00 0.00 34.95 30.79 2kb5 s ARG 61 CO 0.11 -0.25 1.34 0.00 -1.08 0.00 0.00 175.30 175.42 2kb5 h PRO 63 N 2.33 0.00 0.00 0.00 0.13 -1.95 -2.64 132.00 129.87 2kb5 h PRO 63 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 2kb5 h PRO 63 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2kb5 h PRO 63 CO 0.61 0.00 -0.28 1.25 -0.23 0.00 0.00 178.00 179.35 2kb5 h HIS 64 N 0.00 0.00 -3.36 1.56 2.76 -1.93 -3.44 115.15 110.74 2kb5 h HIS 64 Ca 0.00 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.98 2kb5 h HIS 64 Cb 0.40 0.00 -0.27 0.00 1.55 0.00 0.00 27.41 29.09 2kb5 h HIS 64 CO 0.00 0.28 -0.54 1.21 -1.30 0.00 0.00 177.93 177.58 2kb5 s ASN 65 N -6.27 -0.16 -0.16 3.26 3.84 -0.99 -5.03 114.94 109.44 2kb5 s ASN 65 Ca 0.03 0.31 0.11 0.00 0.21 0.00 0.00 52.86 53.51 2kb5 s ASN 65 Cb 0.09 0.30 0.59 0.00 -0.55 0.00 0.00 41.25 41.68 2kb5 s ASN 65 CO 0.68 -0.06 1.41 -2.11 -2.79 0.00 0.00 177.10 174.23 2kb5 n ARG 66 N 3.06 3.69 0.00 0.43 1.85 -1.26 -4.18 116.66 120.25 2kb5 n ARG 66 Ca -0.13 -2.26 0.00 0.00 -1.00 0.00 0.00 57.85 54.46 2kb5 n ARG 66 Cb 0.59 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 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 0.52 0.00 -2.03 8.89 5.66 -1.26 -5.05 114.28 121.01 2kb5 n THR 67 Ca 0.20 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.78 2kb5 n THR 67 Cb 0.89 -0.81 -0.03 0.00 -1.55 0.00 0.00 70.33 68.83 2kb5 n THR 67 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kb5 s LEU 68 N -5.25 4.34 -0.46 1.09 0.20 -1.26 -4.94 118.68 112.40 2kb5 s LEU 68 Ca 0.00 2.33 0.08 0.00 0.69 0.00 0.00 54.13 57.23 2kb5 s LEU 68 Cb 0.00 -3.56 0.27 0.00 -0.43 0.00 0.00 46.19 42.47 2kb5 s LEU 68 CO 0.00 -0.85 0.62 0.59 -0.29 0.00 0.00 176.35 176.43 2kb5 n ASN 69 N 5.85 1.34 -0.86 3.68 4.13 -1.26 -3.37 115.26 124.77 2kb5 n ASN 69 Ca 0.15 -2.96 0.05 0.00 1.68 0.00 0.00 54.58 53.50 2kb5 n ASN 69 Cb 0.42 -0.64 0.12 0.00 -1.54 0.00 0.00 39.78 38.13 2kb5 n ASN 69 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2kb5 n ASN 70 N 1.05 1.38 -4.48 6.41 4.13 -1.26 -4.87 115.26 117.61 2kb5 n ASN 70 Ca 0.24 -2.97 -0.25 0.00 1.68 0.00 0.00 54.58 53.28 2kb5 n ASN 70 Cb 0.51 -0.41 -0.10 0.00 -1.54 0.00 0.00 39.78 38.24 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb5 s HIS 72 N -3.09 -0.09 -0.23 0.00 0.09 -1.17 -2.09 115.29 108.72 2kb5 s HIS 72 Ca 0.30 0.21 -0.15 0.00 -0.00 0.00 0.00 55.06 55.42 2kb5 s HIS 72 Cb 0.07 0.02 -0.04 0.00 -0.00 0.00 0.00 32.58 32.63 2kb5 s HIS 72 CO 0.14 -0.09 0.36 0.50 -0.00 0.00 0.00 174.74 175.66 2kb5 s ARG 73 N -0.17 4.11 0.19 1.40 3.52 -1.26 -3.44 118.95 123.30 2kb5 s ARG 73 Ca -0.02 0.09 -0.29 0.00 -0.13 0.00 0.00 55.73 55.38 2kb5 s ARG 73 Cb -0.02 -3.58 -0.17 0.00 -1.56 0.00 0.00 34.95 29.62 2kb5 s ARG 73 CO 0.00 -0.11 0.61 0.45 -0.81 0.00 0.00 175.30 175.45 2kb5 n SER 74 N 4.75 -0.89 0.09 -2.12 2.88 -1.15 -4.86 113.62 112.32 2kb5 n SER 74 Ca -0.09 1.14 -0.05 0.00 -1.33 0.00 0.00 58.87 58.54 2kb5 n SER 74 Cb 0.51 -0.98 -0.04 0.00 -0.75 0.00 0.00 64.21 62.95 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 1.27 0.00 -6.21 -1.46 0.11 -1.95 -3.45 114.38 102.70 2kb5 h ARG 75 Ca -0.31 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.15 2kb5 h ARG 75 Cb 1.43 0.00 -0.28 0.00 1.11 0.00 0.00 29.97 32.23 2kb5 h ARG 75 CO 0.58 0.87 -0.86 -0.59 0.10 0.00 0.00 179.97 180.07 2kb5 s PHE 76 N -2.92 1.97 0.05 4.08 -0.71 -1.26 -5.11 117.98 114.07 2kb5 s PHE 76 Ca 0.01 -0.38 -0.30 0.00 -1.04 0.00 0.00 56.93 55.22 2kb5 s PHE 76 Cb 0.10 -1.23 -0.05 0.00 -1.21 0.00 0.00 43.02 40.63 2kb5 s PHE 76 CO 0.80 0.02 1.15 1.03 -1.34 0.00 0.00 175.22 176.88 2kb5 s ARG 77 N -0.79 4.46 0.14 1.99 0.52 -1.26 -4.69 118.95 119.33 2kb5 s ARG 77 Ca 0.09 1.70 0.10 0.00 -0.52 0.00 0.00 55.73 57.09 2kb5 s ARG 77 Cb -0.09 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 2kb5 s ARG 77 CO 0.00 -0.21 -0.23 0.14 0.02 0.00 0.00 175.30 175.02 2kb5 s VAL 78 N 1.05 2.04 -0.48 3.52 -7.23 -0.85 -4.77 120.40 113.68 2kb5 s VAL 78 Ca 0.57 -1.79 -0.27 0.00 -1.81 0.00 0.00 61.98 58.68 2kb5 s VAL 78 Cb -0.28 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2kb5 s VAL 78 CO 0.29 -0.08 1.79 -2.16 -0.31 0.00 0.00 175.10 174.62 2kb5 s PRO 79 N -2.30 3.01 0.49 4.82 0.04 -1.26 -2.26 135.00 137.54 2kb5 s PRO 79 Ca 0.14 0.97 0.08 0.00 0.04 0.00 0.00 61.00 62.23 2kb5 s PRO 79 Cb -0.09 -4.27 0.03 0.00 0.04 0.00 0.00 34.50 30.22 2kb5 s PRO 79 CO 0.07 -2.25 0.57 -0.48 0.04 0.00 0.00 177.00 174.94 2kb5 s LEU 80 N 7.80 3.25 -0.03 -3.56 0.05 0.16 -1.62 118.68 124.73 2kb5 s LEU 80 Ca 0.72 -0.78 0.02 0.00 0.05 0.00 0.00 54.13 54.13 2kb5 s LEU 80 Cb -0.17 -1.92 0.01 0.00 -2.05 0.00 0.00 46.19 42.06 2kb5 s LEU 80 CO 0.27 -0.99 -0.06 -0.22 -0.55 0.00 0.00 176.35 174.81 2kb5 s LEU 81 N -4.39 1.57 -0.14 1.48 1.98 0.75 -2.54 118.68 117.38 2kb5 s LEU 81 Ca 0.52 -0.13 -0.06 0.00 -2.89 0.00 0.00 54.13 51.57 2kb5 s LEU 81 Cb -0.06 -0.43 -0.04 0.00 0.66 0.00 0.00 46.19 46.32 2kb5 s LEU 81 CO 0.32 -0.00 0.07 -1.00 -1.89 0.00 0.00 176.35 173.84 2kb5 s HIS 82 N 0.54 3.32 -0.49 5.38 3.76 -0.74 0.12 115.29 127.16 2kb5 s HIS 82 Ca -0.07 0.22 0.05 0.00 -0.15 0.00 0.00 55.06 55.10 2kb5 s HIS 82 Cb -0.11 -1.98 0.18 0.00 1.11 0.00 0.00 32.58 31.79 2kb5 s HIS 82 CO 0.00 0.37 0.41 0.00 -0.85 0.00 0.00 174.74 174.68 2kb5 s ASP 84 N -0.53 7.30 -0.21 0.00 -1.08 -1.06 -2.47 116.67 118.61 2kb5 s ASP 84 Ca 0.31 1.55 -0.29 0.00 -0.52 0.00 0.00 52.55 53.60 2kb5 s ASP 84 Cb 0.03 -2.51 -0.06 0.00 -1.46 0.00 0.00 42.92 38.92 2kb5 s ASP 84 CO -0.18 -0.04 2.19 -0.11 0.52 0.00 0.00 175.17 177.55 2kb5 n LEU 85 N 2.96 3.18 0.00 -1.34 7.94 0.10 0.25 117.00 130.09 2kb5 n LEU 85 Ca -0.00 0.31 0.08 0.00 -1.11 0.00 0.00 56.01 55.29 2kb5 n LEU 85 Cb 0.50 -1.51 0.47 0.00 0.53 0.00 0.00 43.42 43.41 2kb5 n LEU 85 CO 0.49 -0.61 0.68 -0.38 -1.11 0.00 0.00 177.39 176.47 2kb5 n ILE 86 N 7.42 0.00 -3.76 1.96 5.41 -1.11 -4.04 119.36 125.24 2kb5 n ILE 86 Ca 0.31 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.77 2kb5 n ILE 86 Cb 0.41 -0.63 -0.12 0.00 -0.71 0.00 0.00 39.64 38.59 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 -1.91 3.81 -0.20 4.38 2.20 -1.26 -5.02 114.94 116.95 2kb5 s ASN 87 Ca 0.24 -3.38 -0.29 0.00 -0.94 0.00 0.00 52.86 48.49 2kb5 s ASN 87 Cb 0.11 -1.26 -0.03 0.00 -2.00 0.00 0.00 41.25 38.07 2kb5 s ASN 87 CO 0.18 -0.15 1.59 -2.16 -2.94 0.00 0.00 177.10 173.63 2kb5 s PRO 88 N -0.68 3.87 0.00 3.55 0.04 -1.26 -2.41 135.00 138.12 2kb5 s PRO 88 Ca 0.25 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2kb5 s PRO 88 Cb -0.08 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2kb5 s PRO 88 CO -0.13 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.13 2kb5 n GLY 89 N 4.52 0.57 3.85 0.56 0.00 -1.26 -5.09 105.19 108.34 2kb5 n GLY 89 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 3.78 -0.49 4.61 0.00 -1.01 -5.05 121.76 121.61 2kb5 s ALA 90 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.30 2kb5 s ALA 90 Cb 0.00 -1.82 0.30 0.00 0.00 0.00 0.00 23.12 21.60 2kb5 s ALA 90 CO 0.00 0.67 0.72 1.04 0.00 0.00 0.00 175.76 178.19 2kb5 n GLN 91 N 1.54 1.77 -3.88 0.00 6.02 -1.26 -4.76 117.38 116.80 2kb5 n GLN 91 Ca -0.16 -3.97 -0.30 0.00 -0.01 0.00 0.00 57.00 52.57 2kb5 n GLN 91 Cb 0.54 -1.82 -0.16 0.00 1.02 0.00 0.00 30.24 29.82 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 -2.33 3.60 0.17 1.08 0.01 -1.26 -4.69 114.94 111.52 2kb5 s ASN 92 Ca 0.41 -1.09 -0.09 0.00 -0.71 0.00 0.00 52.86 51.38 2kb5 s ASN 92 Cb 0.24 -1.02 0.04 0.00 0.41 0.00 0.00 41.25 40.92 2kb5 s ASN 92 CO -0.09 -0.26 1.55 0.16 -1.51 0.00 0.00 177.10 176.96 2kb5 h ILE 93 N 6.63 1.27 -0.39 0.60 3.07 -1.87 -1.61 117.51 125.21 2kb5 h ILE 93 Ca -0.17 -1.41 0.08 0.00 1.55 0.00 0.00 64.86 64.90 2kb5 h ILE 93 Cb 1.08 1.19 -0.08 0.00 -0.27 0.00 0.00 36.82 38.75 2kb5 h ILE 93 CO 0.39 0.48 -0.12 0.77 -1.05 0.00 0.00 178.15 178.63 2kb5 h SER 94 N 0.80 -0.42 -1.82 2.16 4.64 -1.98 -2.90 113.55 114.02 2kb5 h SER 94 Ca 0.10 0.12 -0.61 0.00 -0.47 0.00 0.00 61.79 60.93 2kb5 h SER 94 Cb 0.82 0.27 -0.41 0.00 -0.31 0.00 0.00 62.40 62.77 2kb5 h SER 94 CO 0.07 -0.15 -0.53 0.59 -0.87 0.00 0.00 176.83 175.94 2kb5 n ASN 95 N -5.32 4.91 -4.50 4.97 3.02 -1.20 -5.01 115.26 112.13 2kb5 n ASN 95 Ca 0.02 -3.72 -0.43 0.00 -0.03 0.00 0.00 54.58 50.43 2kb5 n ASN 95 Cb 0.23 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb5 s ARG 97 N 3.92 3.79 0.05 0.00 3.00 -1.26 -4.54 118.95 123.91 2kb5 s ARG 97 Ca 0.28 0.48 -0.14 0.00 0.00 0.00 0.00 55.73 56.34 2kb5 s ARG 97 Cb -0.14 -2.39 0.02 0.00 0.00 0.00 0.00 34.95 32.44 2kb5 s ARG 97 CO 0.17 -0.02 0.31 0.71 0.00 0.00 0.00 175.30 176.47 2kb5 s TYR 98 N -2.35 -0.12 -0.27 -0.53 2.02 -1.26 -2.76 117.35 112.09 2kb5 s TYR 98 Ca 0.51 -0.02 -0.10 0.00 -0.37 0.00 0.00 57.07 57.10 2kb5 s TYR 98 Cb -0.10 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.52 2kb5 s TYR 98 CO 0.31 -0.51 0.15 0.00 -1.57 0.00 0.00 175.55 173.92 2kb5 s ALA 99 N -2.58 3.41 0.06 3.71 0.00 0.14 -4.69 121.76 121.80 2kb5 s ALA 99 Ca -0.05 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.57 2kb5 s ALA 99 Cb -0.01 -2.34 -0.06 0.00 0.00 0.00 0.00 23.12 20.71 2kb5 s ALA 99 CO -0.03 -0.52 0.76 0.16 0.00 0.00 0.00 175.76 176.12 2kb5 s ASP 100 N 1.70 7.23 -0.26 0.00 -4.77 -1.24 -2.58 116.67 116.74 2kb5 s ASP 100 Ca 0.07 1.46 -0.01 0.00 -3.30 0.00 0.00 52.55 50.77 2kb5 s ASP 100 Cb -0.16 -2.47 0.14 0.00 -1.09 0.00 0.00 42.92 39.34 2kb5 s ASP 100 CO 0.08 0.06 0.35 -0.60 0.70 0.00 0.00 175.17 175.76 2kb5 s ARG 101 N -0.27 0.34 0.58 2.11 3.00 -0.63 -4.95 118.95 119.12 2kb5 s ARG 101 Ca 0.37 0.24 -0.18 0.00 -1.00 0.00 0.00 55.73 55.16 2kb5 s ARG 101 Cb -0.21 -0.56 -0.04 0.00 0.00 0.00 0.00 34.95 34.14 2kb5 s ARG 101 CO 0.23 -0.84 1.12 -1.25 0.00 0.00 0.00 175.30 174.57 2kb5 s PRO 102 N 2.48 3.19 -0.20 5.12 0.04 -1.26 -1.80 135.00 142.57 2kb5 s PRO 102 Ca 0.10 1.55 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 2kb5 s PRO 102 Cb -0.14 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.56 2kb5 s PRO 102 CO -0.23 -0.97 1.17 0.20 0.04 0.00 0.00 177.00 177.21 2kb5 s GLY 103 N -2.01 -0.15 -0.27 0.56 0.00 -1.05 -4.95 107.32 99.44 2kb5 s GLY 103 Ca 0.71 2.17 0.03 0.00 0.00 0.00 0.00 44.72 47.63 2kb5 s GLY 103 CO 0.31 0.91 -0.07 -1.60 0.00 0.00 0.00 173.10 172.65 2kb5 s ARG 104 N -1.46 1.98 0.29 2.90 3.52 -1.26 0.36 118.95 125.28 2kb5 s ARG 104 Ca 0.05 -1.36 -0.13 0.00 -0.13 0.00 0.00 55.73 54.16 2kb5 s ARG 104 Cb -0.01 -2.87 0.05 0.00 -1.56 0.00 0.00 34.95 30.56 2kb5 s ARG 104 CO -0.04 -0.64 0.67 0.54 -0.81 0.00 0.00 175.30 175.02 2kb5 n ARG 105 N 4.45 0.85 -1.12 5.12 1.74 -0.96 -4.81 116.66 121.94 2kb5 n ARG 105 Ca -0.11 -1.70 -0.16 0.00 -0.77 0.00 0.00 57.85 55.12 2kb5 n ARG 105 Cb 0.42 2.14 0.11 0.00 -1.02 0.00 0.00 32.46 34.12 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 -0.46 -3.91 -3.69 -1.55 3.72 -1.21 -2.01 117.46 108.36 2kb5 n PHE 106 Ca -0.06 -0.68 -0.10 0.00 -0.05 0.00 0.00 57.45 56.55 2kb5 n PHE 106 Cb 0.48 -0.55 -0.10 0.00 -0.94 0.00 0.00 39.48 38.37 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 -2.50 -0.68 -0.49 1.38 -0.85 -1.26 -0.67 117.35 112.28 2kb5 s TYR 107 Ca 0.41 1.45 -0.16 0.00 -0.52 0.00 0.00 57.07 58.25 2kb5 s TYR 107 Cb -0.01 0.32 0.08 0.00 0.38 0.00 0.00 41.96 42.73 2kb5 s TYR 107 CO 0.29 -0.36 0.45 0.08 -1.52 0.00 0.00 175.55 174.49 2kb5 s VAL 108 N 1.25 5.16 -0.08 -3.49 1.01 0.33 -2.93 120.40 121.65 2kb5 s VAL 108 Ca -0.08 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2kb5 s VAL 108 Cb -0.07 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2kb5 s VAL 108 CO -0.12 -0.66 -0.11 0.68 0.00 0.00 0.00 175.10 174.89 2kb5 s VAL 109 N 1.84 3.30 -0.48 2.92 -7.23 -1.22 -0.02 120.40 119.51 2kb5 s VAL 109 Ca 0.06 -0.61 -0.25 0.00 -1.81 0.00 0.00 61.98 59.36 2kb5 s VAL 109 Cb -0.24 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.39 2kb5 s VAL 109 CO 0.07 0.57 0.94 0.00 -0.31 0.00 0.00 175.10 176.37 2kb5 s ALA 110 N -0.41 3.22 -0.17 1.32 0.00 0.51 -3.06 121.76 123.17 2kb5 s ALA 110 Ca 0.05 -0.86 -0.20 0.00 0.00 0.00 0.00 51.96 50.95 2kb5 s ALA 110 Cb -0.12 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 2kb5 s ALA 110 CO 0.02 -2.12 0.59 0.00 0.00 0.00 0.00 175.76 174.24 2kb5 s ASP 112 N 1.05 1.60 -0.07 0.00 2.15 -0.69 -4.83 116.67 115.88 2kb5 s ASP 112 Ca 0.28 -0.86 -0.35 0.00 0.43 0.00 0.00 52.55 52.05 2kb5 s ASP 112 Cb -0.16 -0.01 -0.13 0.00 -0.30 0.00 0.00 42.92 42.33 2kb5 s ASP 112 CO 0.11 -0.27 1.80 0.59 -0.17 0.00 0.00 175.17 177.24 2kb5 n ASN 113 N 0.36 3.20 -4.60 -0.34 3.02 -1.26 -2.98 115.26 112.66 2kb5 n ASN 113 Ca -0.14 1.01 -0.24 0.00 -0.03 0.00 0.00 54.58 55.17 2kb5 n ASN 113 Cb 0.58 -1.34 -0.08 0.00 -0.61 0.00 0.00 39.78 38.33 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 3.44 2.16 0.28 3.52 1.04 -1.24 -4.97 118.95 123.18 2kb5 s ARG 114 Ca 0.91 -1.41 -0.30 0.00 -1.04 0.00 0.00 55.73 53.89 2kb5 s ARG 114 Cb -0.75 -2.12 -0.13 0.00 -2.04 0.00 0.00 34.95 29.91 2kb5 s ARG 114 CO 0.51 0.38 1.25 -3.47 -0.04 0.00 0.00 175.30 173.93 2kb5 n ASP 115 N -0.59 2.25 0.00 -2.89 -0.08 -1.26 -4.82 116.55 109.16 2kb5 n ASP 115 Ca -0.07 1.17 0.03 0.00 -1.51 0.00 0.00 54.79 54.41 2kb5 n ASP 115 Cb 0.58 -1.39 0.18 0.00 2.34 0.00 0.00 41.12 42.84 2kb5 n ASP 115 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2kb5 n PRO 116 N 1.23 0.49 -0.09 -0.67 -0.04 -1.26 -2.24 135.00 132.42 2kb5 n PRO 116 Ca 0.09 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 2kb5 n PRO 116 Cb 0.32 -1.20 -0.16 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.70 0.72 -0.02 0.54 1.85 -1.26 -4.00 116.66 113.80 2kb5 n ARG 117 Ca 0.05 -0.03 -0.05 0.00 -1.00 0.00 0.00 57.85 56.81 2kb5 n ARG 117 Cb 0.02 -1.51 -0.13 0.00 -1.05 0.00 0.00 32.46 29.79 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 -2.68 0.65 -3.38 2.89 9.92 -0.95 -4.58 116.55 118.42 2kb5 n ASP 118 Ca -0.29 0.30 -0.26 0.00 -0.53 0.00 0.00 54.79 54.01 2kb5 n ASP 118 Cb 1.08 0.32 -0.08 0.00 -0.64 0.00 0.00 41.12 41.81 2kb5 n ASP 118 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2kb5 n SER 119 N -2.89 1.89 0.25 -2.24 2.88 -1.05 -4.91 113.62 107.54 2kb5 n SER 119 Ca -0.17 -3.03 0.13 0.00 -1.33 0.00 0.00 58.87 54.48 2kb5 n SER 119 Cb 0.98 -0.66 0.60 0.00 -0.75 0.00 0.00 64.21 64.38 2kb5 n SER 119 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2kb5 h PRO 120 N 4.36 0.00 0.00 -1.46 0.13 -1.81 -3.29 132.00 129.93 2kb5 h PRO 120 Ca 0.15 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.93 2kb5 h PRO 120 Cb 0.78 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.86 2kb5 h PRO 120 CO 0.63 0.12 -1.95 2.89 -0.23 0.00 0.00 178.00 179.47 2kb5 n ARG 121 N -3.31 0.58 -3.60 0.86 1.85 -1.26 -4.93 116.66 106.84 2kb5 n ARG 121 Ca -0.00 0.40 -0.37 0.00 -1.00 0.00 0.00 57.85 56.88 2kb5 n ARG 121 Cb 0.35 -1.60 -0.07 0.00 -1.05 0.00 0.00 32.46 30.09 2kb5 n ARG 121 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2kb5 s TYR 122 N -2.45 3.55 0.05 2.89 2.02 -1.24 -5.01 117.35 117.16 2kb5 s TYR 122 Ca -0.34 0.67 -0.20 0.00 -0.37 0.00 0.00 57.07 56.84 2kb5 s TYR 122 Cb 0.11 -2.25 -0.14 0.00 -0.40 0.00 0.00 41.96 39.28 2kb5 s TYR 122 CO 0.53 0.44 1.35 -1.00 -1.57 0.00 0.00 175.55 175.29 2kb5 h PRO 123 N 5.87 0.39 -6.39 -1.71 0.13 -1.92 -3.42 132.00 124.94 2kb5 h PRO 123 Ca -0.46 -0.21 -0.63 0.00 -0.87 0.00 0.00 66.00 63.83 2kb5 h PRO 123 Cb 1.19 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2kb5 h PRO 123 CO 0.69 0.77 -0.77 0.54 -0.23 0.00 0.00 178.00 178.99 2kb5 s VAL 124 N -4.31 2.58 0.09 1.56 0.11 -1.26 -3.64 120.40 115.53 2kb5 s VAL 124 Ca -0.14 -2.15 -0.06 0.00 -2.93 0.00 0.00 61.98 56.70 2kb5 s VAL 124 Cb 0.06 -2.30 -0.01 0.00 -1.53 0.00 0.00 36.38 32.59 2kb5 s VAL 124 CO 0.76 -0.26 0.15 0.68 -3.33 0.00 0.00 175.10 173.10 2kb5 s VAL 125 N -2.09 0.15 0.17 2.04 -7.23 -1.16 -4.92 120.40 107.35 2kb5 s VAL 125 Ca 0.26 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 2kb5 s VAL 125 Cb -0.07 -1.51 -0.08 0.00 0.56 0.00 0.00 36.38 35.29 2kb5 s VAL 125 CO 0.13 -0.66 1.33 -2.16 -0.31 0.00 0.00 175.10 173.43 2kb5 s PRO 126 N -3.90 4.37 0.00 4.82 0.04 -1.26 -1.70 135.00 137.37 2kb5 s PRO 126 Ca 0.09 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2kb5 s PRO 126 Cb 0.06 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2kb5 s PRO 126 CO -0.08 -0.31 0.30 1.33 0.04 0.00 0.00 177.00 178.28 2kb5 n VAL 127 N 3.11 0.05 -3.58 -0.36 0.24 -0.12 -4.21 118.33 113.46 2kb5 n VAL 127 Ca 0.08 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 61.96 2kb5 n VAL 127 Cb 0.43 1.42 -0.06 0.00 -1.47 0.00 0.00 33.84 34.16 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 -0.05 -0.59 -0.27 6.34 5.65 -1.24 -4.96 115.29 120.16 2kb5 s HIS 128 Ca 0.00 1.20 0.01 0.00 0.25 0.00 0.00 55.06 56.52 2kb5 s HIS 128 Cb 0.00 0.38 0.05 0.00 -1.18 0.00 0.00 32.58 31.83 2kb5 s HIS 128 CO 0.00 -0.42 -0.06 -1.17 -0.65 0.00 0.00 174.74 172.43 2kb5 s LEU 129 N -0.55 3.59 -0.02 8.88 1.98 -1.26 -0.36 118.68 130.94 2kb5 s LEU 129 Ca -0.04 -1.29 -0.22 0.00 -2.89 0.00 0.00 54.13 49.69 2kb5 s LEU 129 Cb -0.02 -1.62 -0.14 0.00 0.66 0.00 0.00 46.19 45.07 2kb5 s LEU 129 CO 0.03 -0.21 0.95 -0.78 -1.89 0.00 0.00 176.35 174.45 2kb5 h ASP 130 N 7.89 -0.44 -5.54 3.68 1.82 -0.83 -3.49 116.42 119.50 2kb5 h ASP 130 Ca -0.21 -0.12 0.23 0.00 -0.39 0.00 0.00 57.03 56.54 2kb5 h ASP 130 Cb 1.06 0.11 -0.06 0.00 0.68 0.00 0.00 39.33 41.12 2kb5 h ASP 130 CO 0.50 -0.01 0.67 0.28 -1.61 0.00 0.00 179.24 179.07 2kb5 s THR 131 N -4.01 0.00 -0.15 2.25 -1.32 -1.25 -4.96 115.64 106.20 2kb5 s THR 131 Ca -0.12 -0.46 -0.00 0.00 -1.21 0.00 0.00 61.69 59.90 2kb5 s THR 131 Cb 0.01 -2.57 0.04 0.00 -1.51 0.00 0.00 72.50 68.47 2kb5 s THR 131 CO 0.42 0.00 -0.07 0.42 -2.21 0.00 0.00 174.62 173.18 2kb5 s THR 132 N -2.40 1.15 0.00 5.08 -4.23 -1.26 -0.51 115.64 113.47 2kb5 s THR 132 Ca 0.20 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 2kb5 s THR 132 Cb -0.01 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.58 2kb5 s THR 132 CO 0.02 0.23 0.00 0.00 -0.54 0.00 0.00 174.62 174.33