#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 0.35 0.39 2.89 0.04 -1.25 -4.92 135.00 132.49 2kb5 s PRO 2 Ca 0.00 0.50 0.28 0.00 0.04 0.00 0.00 61.00 61.82 2kb5 s PRO 2 Cb 0.00 -1.73 1.17 0.00 0.04 0.00 0.00 34.50 33.98 2kb5 s PRO 2 CO 0.00 -2.78 1.84 -1.00 0.04 0.00 0.00 177.00 175.09 2kb5 h PRO 3 N -1.93 0.00 0.00 0.56 0.13 -1.98 -2.46 132.00 126.32 2kb5 h PRO 3 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 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 -0.83 1.04 -0.23 0.00 0.00 178.00 178.56 2kb5 n GLN 4 N -2.60 0.33 -4.67 0.86 6.02 -1.26 -4.86 117.38 111.21 2kb5 n GLN 4 Ca 0.01 0.06 -0.24 0.00 -0.01 0.00 0.00 57.00 56.82 2kb5 n GLN 4 Cb 0.26 -1.67 -0.16 0.00 1.02 0.00 0.00 30.24 29.69 2kb5 n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2kb5 s PHE 5 N -3.20 1.46 0.56 1.08 0.08 -0.93 -5.10 117.98 111.93 2kb5 s PHE 5 Ca 0.04 -0.44 -0.09 0.00 0.12 0.00 0.00 56.93 56.56 2kb5 s PHE 5 Cb 0.13 -1.01 0.14 0.00 -0.57 0.00 0.00 43.02 41.71 2kb5 s PHE 5 CO 0.76 -0.17 0.50 0.25 -0.10 0.00 0.00 175.22 176.45 2kb5 n THR 6 N 3.33 0.00 0.08 0.64 -2.24 -1.26 -3.89 114.28 110.94 2kb5 n THR 6 Ca -0.19 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2kb5 n THR 6 Cb 0.53 -1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 67.57 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 0.17 0.00 -0.78 3.08 -1.94 -3.00 114.38 111.91 2kb5 h ARG 7 Ca -0.19 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2kb5 h ARG 7 Cb 0.57 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2kb5 h ARG 7 CO 0.12 1.06 -0.16 0.00 -1.07 0.00 0.00 179.97 179.92 2kb5 h ALA 8 N 0.84 0.00 -0.90 0.04 0.00 -1.93 -3.04 119.26 114.26 2kb5 h ALA 8 Ca -0.07 -0.24 0.26 0.00 0.00 0.00 0.00 54.91 54.86 2kb5 h ALA 8 Cb 1.75 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 2kb5 h ALA 8 CO 0.16 0.16 0.78 -0.56 0.00 0.00 0.00 179.25 179.79 2kb5 h GLN 9 N -0.50 0.00 0.00 0.00 -0.00 -1.90 1.16 115.11 113.87 2kb5 h GLN 9 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.51 2kb5 h GLN 9 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.62 2kb5 h GLN 9 CO 0.00 0.00 -0.86 2.35 -0.00 0.00 0.00 178.83 180.32 2kb5 h TRP 10 N 0.00 0.00 0.17 0.06 -0.00 -1.68 -3.20 115.95 111.30 2kb5 h TRP 10 Ca 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.31 2kb5 h TRP 10 Cb 1.98 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.14 2kb5 h TRP 10 CO 0.00 0.59 -0.08 0.35 -0.00 0.00 0.00 178.44 179.29 2kb5 h PHE 11 N 0.00 -0.22 0.00 2.65 3.04 0.15 -2.97 116.94 119.59 2kb5 h PHE 11 Ca -0.06 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 2kb5 h PHE 11 Cb 1.50 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 40.08 2kb5 h PHE 11 CO 0.00 0.09 -0.15 0.00 -2.02 0.00 0.00 178.31 176.22 2kb5 h ALA 12 N 0.23 1.54 -0.58 2.41 0.00 -1.62 0.55 119.26 121.80 2kb5 h ALA 12 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.87 2kb5 h ALA 12 Cb 0.40 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 2kb5 h ALA 12 CO 0.04 0.19 0.01 0.82 0.00 0.00 0.00 179.25 180.31 2kb5 h ILE 13 N 0.00 0.54 0.00 0.00 1.08 -1.51 2.80 117.51 120.42 2kb5 h ILE 13 Ca -0.00 -0.04 -0.15 0.00 -0.39 0.00 0.00 64.86 64.28 2kb5 h ILE 13 Cb 0.31 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 2kb5 h ILE 13 CO 0.02 0.02 -1.96 0.00 -0.69 0.00 0.00 178.15 175.54 2kb5 n GLN 14 N -5.25 0.93 0.00 2.37 10.64 -1.10 -4.34 117.38 120.63 2kb5 n GLN 14 Ca 0.08 -0.09 0.13 0.00 -1.83 0.00 0.00 57.00 55.29 2kb5 n GLN 14 Cb 0.33 -1.42 0.31 0.00 -0.86 0.00 0.00 30.24 28.60 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 -2.35 0.00 -3.67 2.61 8.25 0.19 -3.79 115.22 116.46 2kb5 n HIS 15 Ca -0.15 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.13 2kb5 n HIS 15 Cb 0.74 -0.14 -0.17 0.00 1.12 0.00 0.00 29.99 31.55 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 -2.62 -0.18 -0.29 1.59 1.09 0.94 -2.67 121.20 119.06 2kb5 s ILE 16 Ca 0.21 0.39 -0.00 0.00 -1.10 0.00 0.00 60.65 60.14 2kb5 s ILE 16 Cb 0.19 -0.22 0.18 0.00 -1.06 0.00 0.00 42.46 41.54 2kb5 s ILE 16 CO 0.57 0.16 0.54 -0.94 -0.10 0.00 0.00 174.94 175.17 2kb5 s SER 17 N 2.22 -0.96 0.14 3.58 1.04 -0.45 -4.23 113.70 115.05 2kb5 s SER 17 Ca 0.04 0.56 -0.23 0.00 0.48 0.00 0.00 55.95 56.80 2kb5 s SER 17 Cb -0.12 1.85 0.01 0.00 0.10 0.00 0.00 66.02 67.86 2kb5 s SER 17 CO -0.04 -0.28 1.63 -0.07 0.98 0.00 0.00 173.24 175.46 2kb5 h LEU 18 N 8.05 -0.77 -7.24 2.42 3.38 -1.81 -3.08 115.31 116.26 2kb5 h LEU 18 Ca -0.18 0.13 -0.65 0.00 0.09 0.00 0.00 57.88 57.27 2kb5 h LEU 18 Cb 1.16 0.35 -0.40 0.00 0.09 0.00 0.00 40.66 41.86 2kb5 h LEU 18 CO 0.25 -0.29 -0.46 0.20 0.09 0.00 0.00 178.44 178.23 2kb5 s ASN 19 N -5.00 5.02 -0.36 -0.43 0.01 -1.26 -4.54 114.94 108.37 2kb5 s ASN 19 Ca -0.15 -3.56 -0.28 0.00 -0.71 0.00 0.00 52.86 48.15 2kb5 s ASN 19 Cb 0.11 -1.72 -0.01 0.00 0.41 0.00 0.00 41.25 40.04 2kb5 s ASN 19 CO 0.67 -0.16 1.71 -2.16 -1.51 0.00 0.00 177.10 175.65 2kb5 s PRO 20 N -1.07 3.35 0.00 -0.60 0.04 -1.24 -5.00 135.00 130.49 2kb5 s PRO 20 Ca 0.23 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2kb5 s PRO 20 Cb -0.11 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2kb5 s PRO 20 CO -0.11 -1.83 0.00 -0.35 0.04 0.00 0.00 177.00 174.74 2kb5 n PRO 21 N 8.39 0.94 -1.74 0.56 -0.04 -1.26 -4.83 135.00 137.02 2kb5 n PRO 21 Ca 0.21 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.27 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 -0.08 2.76 0.21 0.54 1.81 -1.26 -4.76 118.95 118.18 2kb5 s ARG 22 Ca 0.00 1.48 0.10 0.00 -1.72 0.00 0.00 55.73 55.59 2kb5 s ARG 22 Cb 0.00 -4.41 0.73 0.00 -0.45 0.00 0.00 34.95 30.83 2kb5 s ARG 22 CO 0.00 -2.53 0.95 0.00 -0.68 0.00 0.00 175.30 173.04 2kb5 h THR 24 N 0.00 0.22 0.18 0.00 2.02 -1.87 -1.72 112.91 111.74 2kb5 h THR 24 Ca 0.48 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 67.32 2kb5 h THR 24 Cb 1.22 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2kb5 h THR 24 CO -0.49 0.00 -1.64 0.40 0.37 0.00 0.00 175.52 174.16 2kb5 h ILE 25 N -0.18 1.01 -0.45 3.11 2.04 0.55 -3.32 117.51 120.26 2kb5 h ILE 25 Ca 0.21 -2.51 0.13 0.00 1.00 0.00 0.00 64.86 63.69 2kb5 h ILE 25 Cb 0.54 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 2kb5 h ILE 25 CO -0.61 0.83 0.81 0.00 0.00 0.00 0.00 178.15 179.17 2kb5 h ALA 26 N 0.09 2.23 -0.90 1.87 0.00 -0.59 1.53 119.26 123.49 2kb5 h ALA 26 Ca -0.32 -0.02 -0.42 0.00 0.00 0.00 0.00 54.91 54.15 2kb5 h ALA 26 Cb 2.04 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 19.61 2kb5 h ALA 26 CO 0.17 -1.04 0.54 0.00 0.00 0.00 0.00 179.25 178.91 2kb5 n MET 27 N -3.13 2.61 0.00 0.00 0.00 -0.67 -4.41 117.12 111.52 2kb5 n MET 27 Ca 0.09 -2.93 0.00 0.00 0.00 0.00 0.00 57.70 54.87 2kb5 n MET 27 Cb 0.97 -2.16 0.00 0.00 0.00 0.00 0.00 33.22 32.03 2kb5 n MET 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kb5 n ARG 28 N -0.82 0.00 0.24 3.17 1.74 0.52 -3.39 116.66 118.12 2kb5 n ARG 28 Ca 0.53 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.84 2kb5 n ARG 28 Cb 1.57 -0.57 0.58 0.00 -1.02 0.00 0.00 32.46 33.02 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kb5 h ALA 29 N -2.00 1.81 0.15 7.54 0.00 -1.81 -3.05 119.26 121.90 2kb5 h ALA 29 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kb5 h ALA 29 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kb5 h ALA 29 CO 0.00 0.12 -0.07 0.82 0.00 0.00 0.00 179.25 180.12 2kb5 h ILE 30 N 0.00 0.00 -0.30 0.00 1.08 -1.78 -3.02 117.51 113.49 2kb5 h ILE 30 Ca -0.00 -0.08 0.09 0.00 -0.39 0.00 0.00 64.86 64.48 2kb5 h ILE 30 Cb 0.17 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.91 2kb5 h ILE 30 CO 0.01 0.00 0.91 0.78 -0.69 0.00 0.00 178.15 179.17 2kb5 h ASN 31 N -0.28 0.00 0.00 1.72 2.35 -1.56 0.41 115.58 118.22 2kb5 h ASN 31 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2kb5 h ASN 31 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2kb5 h ASN 31 CO 0.03 0.00 0.18 -3.20 -1.65 0.00 0.00 177.43 172.79 2kb5 n ASN 32 N -2.84 0.31 0.27 5.81 5.15 -1.14 -0.17 115.26 122.65 2kb5 n ASN 32 Ca 0.06 0.56 0.16 0.00 -0.60 0.00 0.00 54.58 54.77 2kb5 n ASN 32 Cb 1.01 -0.56 0.67 0.00 -0.53 0.00 0.00 39.78 40.37 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 -3.63 1.20 -0.00 -0.37 -3.46 116.97 110.71 2kb5 h TYR 33 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.52 2kb5 h TYR 33 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.04 2kb5 h TYR 33 CO 0.00 0.03 -0.08 0.54 -0.00 0.00 0.00 178.16 178.66 2kb5 n ARG 34 N -3.15 0.66 0.00 0.10 5.12 0.76 -4.26 116.66 115.90 2kb5 n ARG 34 Ca 0.00 -2.36 0.11 0.00 -1.93 0.00 0.00 57.85 53.67 2kb5 n ARG 34 Cb 0.32 2.35 0.07 0.00 -1.16 0.00 0.00 32.46 34.03 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 -0.50 0.00 -4.43 -1.55 -0.00 -1.26 -4.92 117.44 104.78 2kb5 n TRP 35 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.24 2kb5 n TRP 35 Cb 0.51 -0.09 -0.09 0.00 -0.00 0.00 0.00 31.31 31.63 2kb5 n TRP 35 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 2kb5 s ARG 36 N -2.88 2.00 0.08 5.87 3.52 -1.26 -3.96 118.95 122.31 2kb5 s ARG 36 Ca 0.12 -1.90 0.01 0.00 -0.13 0.00 0.00 55.73 53.83 2kb5 s ARG 36 Cb 0.17 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 2kb5 s ARG 36 CO 0.74 0.06 0.19 0.00 -0.81 0.00 0.00 175.30 175.48 2kb5 s LYS 38 N -2.61 4.15 0.63 0.00 2.36 -1.26 -4.86 119.74 118.16 2kb5 s LYS 38 Ca 0.34 1.52 0.17 0.00 -2.55 0.00 0.00 55.97 55.44 2kb5 s LYS 38 Cb -0.12 -3.78 0.73 0.00 -1.05 0.00 0.00 37.83 33.60 2kb5 s LYS 38 CO 0.27 -0.80 1.33 -0.97 1.55 0.00 0.00 175.35 176.73 2kb5 h ASN 39 N 8.39 0.00 -2.65 1.43 -0.73 -1.97 -3.37 115.58 116.67 2kb5 h ASN 39 Ca -0.25 0.00 0.05 0.00 1.87 0.00 0.00 56.30 57.97 2kb5 h ASN 39 Cb 1.10 0.00 -0.22 0.00 0.27 0.00 0.00 38.32 39.47 2kb5 h ASN 39 CO 0.99 0.00 0.06 -1.58 -0.37 0.00 0.00 177.43 176.53 2kb5 s GLN 40 N -4.25 0.61 0.14 6.67 0.74 -1.26 -0.22 119.66 122.10 2kb5 s GLN 40 Ca -0.02 1.15 0.11 0.00 0.05 0.00 0.00 55.36 56.65 2kb5 s GLN 40 Cb 0.08 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.43 2kb5 s GLN 40 CO 0.28 -0.14 -0.25 1.21 -0.55 0.00 0.00 175.29 175.83 2kb5 s ASN 41 N 1.85 3.25 -0.02 6.67 2.47 0.15 -4.99 114.94 124.32 2kb5 s ASN 41 Ca -0.09 -0.78 -0.00 0.00 0.42 0.00 0.00 52.86 52.41 2kb5 s ASN 41 Cb -0.06 -0.22 0.03 0.00 -1.45 0.00 0.00 41.25 39.55 2kb5 s ASN 41 CO -0.19 0.14 0.03 -0.89 -3.72 0.00 0.00 177.10 172.48 2kb5 s THR 42 N -1.26 -0.06 -0.28 -5.21 2.01 -1.26 -0.16 115.64 109.42 2kb5 s THR 42 Ca 0.15 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.39 2kb5 s THR 42 Cb -0.09 -0.09 0.08 0.00 0.01 0.00 0.00 72.50 72.41 2kb5 s THR 42 CO 0.07 0.09 0.03 -0.36 -0.69 0.00 0.00 174.62 173.76 2kb5 s PHE 43 N 1.14 2.31 -0.10 4.92 0.40 -0.10 -3.76 117.98 122.79 2kb5 s PHE 43 Ca -0.08 -1.91 -0.22 0.00 -0.60 0.00 0.00 56.93 54.12 2kb5 s PHE 43 Cb -0.13 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 2kb5 s PHE 43 CO -0.03 -0.83 0.66 -0.48 0.70 0.00 0.00 175.22 175.24 2kb5 s LEU 44 N 1.42 4.28 -1.08 -0.37 2.34 -1.09 -0.08 118.68 124.09 2kb5 s LEU 44 Ca 0.03 1.07 -0.23 0.00 0.06 0.00 0.00 54.13 55.06 2kb5 s LEU 44 Cb -0.18 -2.99 -0.11 0.00 -0.56 0.00 0.00 46.19 42.35 2kb5 s LEU 44 CO -0.13 -0.13 1.93 0.54 -1.06 0.00 0.00 176.35 177.50 2kb5 n ARG 45 N 4.02 1.55 -3.67 1.48 1.74 -0.38 -1.34 116.66 120.06 2kb5 n ARG 45 Ca -0.02 -2.32 -0.10 0.00 -0.77 0.00 0.00 57.85 54.64 2kb5 n ARG 45 Cb 0.51 -3.54 -0.05 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 9.75 0.08 0.47 0.55 -1.32 -1.26 -4.72 115.64 119.20 2kb5 s THR 46 Ca 0.66 -0.65 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 2kb5 s THR 46 Cb 0.03 -1.16 -0.05 0.00 -1.51 0.00 0.00 72.50 69.81 2kb5 s THR 46 CO 0.14 -0.36 0.81 -0.89 -2.21 0.00 0.00 174.62 172.10 2kb5 s THR 47 N -3.64 4.85 0.51 5.08 2.01 -1.26 -4.36 115.64 118.83 2kb5 s THR 47 Ca 0.02 0.41 0.20 0.00 0.31 0.00 0.00 61.69 62.62 2kb5 s THR 47 Cb 0.02 -3.82 0.27 0.00 0.01 0.00 0.00 72.50 68.98 2kb5 s THR 47 CO -0.11 -0.78 2.13 0.15 -0.69 0.00 0.00 174.62 175.33 2kb5 h PHE 48 N 0.49 0.00 -0.20 4.92 3.57 -1.98 -2.36 116.94 121.38 2kb5 h PHE 48 Ca -0.47 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.97 2kb5 h PHE 48 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 2kb5 h PHE 48 CO 0.60 0.05 -0.13 0.00 -2.23 0.00 0.00 178.31 176.60 2kb5 h ALA 49 N 1.95 0.28 0.00 2.41 0.00 -2.00 -1.64 119.26 120.27 2kb5 h ALA 49 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2kb5 h ALA 49 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kb5 h ALA 49 CO 0.01 0.15 -0.03 -0.91 0.00 0.00 0.00 179.25 178.47 2kb5 h ASN 50 N 0.12 0.00 0.00 0.00 2.35 -1.82 -2.62 115.58 113.61 2kb5 h ASN 50 Ca 0.04 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 2kb5 h ASN 50 Cb 0.64 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 2kb5 h ASN 50 CO 0.04 0.03 -0.30 0.58 -1.65 0.00 0.00 177.43 176.12 2kb5 h VAL 51 N 0.00 1.33 -0.29 2.81 2.07 -1.26 -3.30 116.25 117.61 2kb5 h VAL 51 Ca -0.00 -2.10 0.08 0.00 0.82 0.00 0.00 66.70 65.50 2kb5 h VAL 51 Cb 0.28 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2kb5 h VAL 51 CO 0.00 0.45 0.26 0.58 0.02 0.00 0.00 177.57 178.88 2kb5 h VAL 52 N -1.00 0.59 0.00 2.57 2.07 -1.17 0.28 116.25 119.60 2kb5 h VAL 52 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2kb5 h VAL 52 Cb 0.93 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2kb5 h VAL 52 CO -0.05 0.00 -0.10 -1.13 0.02 0.00 0.00 177.57 176.31 2kb5 h ASN 53 N 0.00 0.00 0.79 0.57 -1.24 -1.58 -3.01 115.58 111.11 2kb5 h ASN 53 Ca 0.14 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.97 2kb5 h ASN 53 Cb 0.65 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 2kb5 h ASN 53 CO -0.00 0.10 -0.85 0.58 -1.29 0.00 0.00 177.43 175.97 2kb5 h VAL 54 N 0.00 1.58 0.00 2.57 2.07 -0.52 -3.17 116.25 118.79 2kb5 h VAL 54 Ca -0.00 -2.83 -0.03 0.00 0.82 0.00 0.00 66.70 64.66 2kb5 h VAL 54 Cb 0.77 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2kb5 h VAL 54 CO 0.01 0.81 -0.15 0.00 0.02 0.00 0.00 177.57 178.27 2kb5 n GLY 56 N -1.06 1.77 3.74 0.00 0.00 -1.20 -4.84 105.19 103.61 2kb5 n GLY 56 Ca -0.02 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 0.10 4.71 -0.60 1.61 0.01 -0.73 -5.02 114.94 115.02 2kb5 s ASN 57 Ca 0.05 -0.76 -0.34 0.00 -0.71 0.00 0.00 52.86 51.10 2kb5 s ASN 57 Cb 0.04 -0.74 -0.15 0.00 0.41 0.00 0.00 41.25 40.81 2kb5 s ASN 57 CO 0.01 -0.30 2.37 1.67 -1.51 0.00 0.00 177.10 179.34 2kb5 n GLN 58 N -1.16 0.52 -1.29 -0.60 -0.06 -1.26 -4.88 117.38 108.64 2kb5 n GLN 58 Ca -0.03 0.10 -0.32 0.00 -2.00 0.00 0.00 57.00 54.75 2kb5 n GLN 58 Cb 0.61 -2.12 0.09 0.00 -4.06 0.00 0.00 30.24 24.76 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 8.33 4.37 0.26 1.69 1.04 -1.26 -4.66 113.70 123.46 2kb5 s SER 59 Ca 1.18 1.96 0.00 0.00 0.48 0.00 0.00 55.95 59.57 2kb5 s SER 59 Cb -1.01 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 62.55 2kb5 s SER 59 CO 0.49 -2.13 0.25 0.27 0.98 0.00 0.00 173.24 173.10 2kb5 s ILE 60 N -2.68 0.00 -0.19 -1.02 -4.36 -1.05 -5.02 121.20 106.88 2kb5 s ILE 60 Ca 0.64 -1.89 -0.27 0.00 -0.26 0.00 0.00 60.65 58.87 2kb5 s ILE 60 Cb -0.20 -2.49 -0.01 0.00 1.25 0.00 0.00 42.46 41.02 2kb5 s ILE 60 CO 0.52 0.00 0.90 0.00 0.24 0.00 0.00 174.94 176.61 2kb5 s ARG 61 N -3.80 4.28 0.52 0.37 1.70 -1.26 -4.22 118.95 116.55 2kb5 s ARG 61 Ca 0.37 1.13 -0.22 0.00 -0.47 0.00 0.00 55.73 56.54 2kb5 s ARG 61 Cb 0.04 -3.60 -0.06 0.00 -0.57 0.00 0.00 34.95 30.77 2kb5 s ARG 61 CO 0.17 -0.43 1.28 0.00 -1.08 0.00 0.00 175.30 175.25 2kb5 h PRO 63 N 1.63 0.49 0.00 0.00 0.13 -1.95 -2.86 132.00 129.44 2kb5 h PRO 63 Ca -0.50 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.36 2kb5 h PRO 63 Cb 1.28 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kb5 h PRO 63 CO 0.58 0.83 -0.07 0.45 -0.23 0.00 0.00 178.00 179.57 2kb5 h HIS 64 N 0.40 0.00 -2.65 1.56 3.86 -1.95 -3.39 115.15 112.99 2kb5 h HIS 64 Ca 0.03 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.85 2kb5 h HIS 64 Cb 0.92 0.00 -0.37 0.00 1.06 0.00 0.00 27.41 29.01 2kb5 h HIS 64 CO 0.03 0.07 -0.69 -0.80 0.86 0.00 0.00 177.93 177.40 2kb5 s ASN 65 N -5.79 2.05 0.00 2.45 0.01 -1.08 -4.99 114.94 107.60 2kb5 s ASN 65 Ca -0.02 -0.59 0.18 0.00 -0.71 0.00 0.00 52.86 51.72 2kb5 s ASN 65 Cb 0.11 0.11 1.08 0.00 0.41 0.00 0.00 41.25 42.97 2kb5 s ASN 65 CO 0.54 -0.36 1.48 -2.11 -1.51 0.00 0.00 177.10 175.14 2kb5 n ARG 66 N 5.30 0.59 -0.05 -0.60 1.85 -1.24 -3.29 116.66 119.22 2kb5 n ARG 66 Ca -0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.70 2kb5 n ARG 66 Cb 0.48 -1.48 -0.04 0.00 -1.05 0.00 0.00 32.46 30.37 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 -0.98 0.52 -2.14 8.89 5.66 -1.26 -4.99 114.28 119.98 2kb5 n THR 67 Ca 0.14 -0.15 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 2kb5 n THR 67 Cb 0.06 -1.45 -0.03 0.00 -1.55 0.00 0.00 70.33 67.37 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 -6.29 4.33 -0.53 1.09 0.20 -1.21 -4.95 118.68 111.31 2kb5 s LEU 68 Ca -0.13 2.22 0.07 0.00 0.69 0.00 0.00 54.13 56.97 2kb5 s LEU 68 Cb 0.05 -3.56 0.26 0.00 -0.43 0.00 0.00 46.19 42.51 2kb5 s LEU 68 CO 0.18 -0.77 0.68 0.59 -0.29 0.00 0.00 176.35 176.74 2kb5 n ASN 69 N 5.50 2.38 -1.07 3.68 3.02 -1.26 -3.36 115.26 124.16 2kb5 n ASN 69 Ca 0.14 -3.17 0.05 0.00 -0.03 0.00 0.00 54.58 51.56 2kb5 n ASN 69 Cb 0.43 -0.65 0.12 0.00 -0.61 0.00 0.00 39.78 39.07 2kb5 n ASN 69 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2kb5 n ASN 70 N 0.92 1.43 -4.15 6.41 6.94 -1.26 -4.91 115.26 120.64 2kb5 n ASN 70 Ca 0.27 -3.01 -0.21 0.00 -0.02 0.00 0.00 54.58 51.61 2kb5 n ASN 70 Cb 0.47 -0.42 -0.14 0.00 -2.36 0.00 0.00 39.78 37.33 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 -0.73 2.43 0.26 0.00 3.76 -1.02 -2.54 115.29 117.45 2kb5 s HIS 72 Ca 0.03 -1.29 -0.25 0.00 -0.15 0.00 0.00 55.06 53.41 2kb5 s HIS 72 Cb -0.07 -1.70 -0.09 0.00 1.11 0.00 0.00 32.58 31.82 2kb5 s HIS 72 CO 0.01 -0.63 0.86 0.50 -0.85 0.00 0.00 174.74 174.63 2kb5 s ARG 73 N 1.08 4.53 -0.12 1.40 3.52 -1.26 -3.55 118.95 124.55 2kb5 s ARG 73 Ca -0.02 1.20 -0.29 0.00 -0.13 0.00 0.00 55.73 56.49 2kb5 s ARG 73 Cb -0.14 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 2kb5 s ARG 73 CO -0.06 0.39 1.53 -1.54 -0.81 0.00 0.00 175.30 174.81 2kb5 s SER 74 N -1.49 6.70 0.34 -2.12 1.04 -1.02 -4.89 113.70 112.27 2kb5 s SER 74 Ca 0.45 1.96 0.07 0.00 0.48 0.00 0.00 55.95 58.91 2kb5 s SER 74 Cb -0.20 -2.53 0.63 0.00 0.10 0.00 0.00 66.02 64.02 2kb5 s SER 74 CO 0.24 -0.93 1.84 0.08 0.98 0.00 0.00 173.24 175.45 2kb5 h ARG 75 N 9.32 0.32 -5.77 4.02 0.11 -1.93 -3.43 114.38 117.03 2kb5 h ARG 75 Ca -0.34 -0.09 -0.64 0.00 0.10 0.00 0.00 59.98 59.01 2kb5 h ARG 75 Cb 1.15 -0.03 -0.07 0.00 1.11 0.00 0.00 29.97 32.13 2kb5 h ARG 75 CO 0.97 0.50 -0.36 -0.06 0.10 0.00 0.00 179.97 181.12 2kb5 s PHE 76 N -4.61 3.64 0.49 4.08 0.40 -1.26 -5.07 117.98 115.64 2kb5 s PHE 76 Ca -0.06 0.72 -0.18 0.00 -0.60 0.00 0.00 56.93 56.80 2kb5 s PHE 76 Cb 0.15 -2.12 -0.09 0.00 0.51 0.00 0.00 43.02 41.47 2kb5 s PHE 76 CO 0.75 0.65 0.99 1.03 0.70 0.00 0.00 175.22 179.34 2kb5 s ARG 77 N -0.89 3.96 -0.04 0.44 0.52 -1.26 -4.69 118.95 116.99 2kb5 s ARG 77 Ca 0.18 1.09 -0.24 0.00 -0.52 0.00 0.00 55.73 56.24 2kb5 s ARG 77 Cb -0.14 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.25 2kb5 s ARG 77 CO 0.08 -0.26 0.53 0.14 0.02 0.00 0.00 175.30 175.80 2kb5 s VAL 78 N -2.37 0.02 -0.13 3.52 -7.23 -1.09 -4.94 120.40 108.18 2kb5 s VAL 78 Ca 0.62 -0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 60.31 2kb5 s VAL 78 Cb -0.11 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 2kb5 s VAL 78 CO 0.24 -0.10 1.55 -2.16 -0.31 0.00 0.00 175.10 174.32 2kb5 s PRO 79 N -1.22 4.07 0.37 4.82 0.04 -1.26 -1.39 135.00 140.44 2kb5 s PRO 79 Ca -0.12 1.91 0.03 0.00 0.04 0.00 0.00 61.00 62.86 2kb5 s PRO 79 Cb -0.02 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2kb5 s PRO 79 CO 0.08 -0.95 0.09 -0.48 0.04 0.00 0.00 177.00 175.77 2kb5 s LEU 80 N 4.27 2.07 -0.04 -3.56 0.05 0.12 -1.24 118.68 120.35 2kb5 s LEU 80 Ca 0.68 -1.53 0.05 0.00 0.05 0.00 0.00 54.13 53.38 2kb5 s LEU 80 Cb -0.28 -0.25 -0.01 0.00 -2.05 0.00 0.00 46.19 43.60 2kb5 s LEU 80 CO 0.26 -0.78 -0.19 -0.22 -0.55 0.00 0.00 176.35 174.87 2kb5 s LEU 81 N -3.56 1.97 0.14 1.48 1.98 0.88 -2.22 118.68 119.35 2kb5 s LEU 81 Ca 0.29 -0.38 0.04 0.00 -2.89 0.00 0.00 54.13 51.19 2kb5 s LEU 81 Cb 0.05 -1.05 -0.04 0.00 0.66 0.00 0.00 46.19 45.82 2kb5 s LEU 81 CO 0.14 0.19 0.13 -1.00 -1.89 0.00 0.00 176.35 173.92 2kb5 s HIS 82 N -0.11 3.18 -0.17 5.38 3.76 -0.28 -0.92 115.29 126.13 2kb5 s HIS 82 Ca -0.01 0.02 -0.07 0.00 -0.15 0.00 0.00 55.06 54.85 2kb5 s HIS 82 Cb -0.11 -1.55 0.07 0.00 1.11 0.00 0.00 32.58 32.10 2kb5 s HIS 82 CO 0.02 0.52 0.37 0.00 -0.85 0.00 0.00 174.74 174.80 2kb5 s ASP 84 N 2.20 3.17 -0.91 0.00 2.15 -1.22 0.34 116.67 122.40 2kb5 s ASP 84 Ca -0.03 -0.49 -0.16 0.00 0.43 0.00 0.00 52.55 52.30 2kb5 s ASP 84 Cb -0.11 -0.94 -0.26 0.00 -0.30 0.00 0.00 42.92 41.31 2kb5 s ASP 84 CO -0.12 0.24 2.25 -0.11 -0.17 0.00 0.00 175.17 177.26 2kb5 n LEU 85 N 3.00 -0.19 0.02 -1.34 7.94 0.70 -1.87 117.00 125.26 2kb5 n LEU 85 Ca -0.18 -0.93 0.01 0.00 -1.11 0.00 0.00 56.01 53.81 2kb5 n LEU 85 Cb 0.52 -0.98 0.07 0.00 0.53 0.00 0.00 43.42 43.56 2kb5 n LEU 85 CO 0.26 -1.92 0.54 -0.38 -1.11 0.00 0.00 177.39 174.78 2kb5 n ILE 86 N 6.80 1.80 -3.85 1.96 2.08 -0.52 -3.50 119.36 124.14 2kb5 n ILE 86 Ca 0.59 0.53 -0.30 0.00 0.56 0.00 0.00 62.75 64.13 2kb5 n ILE 86 Cb 0.26 -1.53 -0.11 0.00 -0.75 0.00 0.00 39.64 37.51 2kb5 n ILE 86 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2kb5 s ASN 87 N -3.07 5.01 -0.23 4.38 4.22 -1.25 -4.97 114.94 119.04 2kb5 s ASN 87 Ca -0.00 -3.65 -0.29 0.00 -2.14 0.00 0.00 52.86 46.78 2kb5 s ASN 87 Cb 0.01 -1.71 -0.03 0.00 1.28 0.00 0.00 41.25 40.81 2kb5 s ASN 87 CO 0.02 -0.14 1.61 -2.16 -2.04 0.00 0.00 177.10 174.39 2kb5 s PRO 88 N -1.18 3.78 0.00 3.55 0.04 -1.23 -2.34 135.00 137.62 2kb5 s PRO 88 Ca 0.24 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2kb5 s PRO 88 Cb -0.09 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2kb5 s PRO 88 CO -0.12 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.02 2kb5 n GLY 89 N 4.68 0.46 3.56 0.56 0.00 -1.26 -5.07 105.19 108.11 2kb5 n GLY 89 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 3.29 -0.62 4.61 0.00 -0.99 -5.02 121.76 121.03 2kb5 s ALA 90 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.11 2kb5 s ALA 90 Cb 0.00 -1.96 0.33 0.00 0.00 0.00 0.00 23.12 21.49 2kb5 s ALA 90 CO 0.00 -0.07 0.99 1.04 0.00 0.00 0.00 175.76 177.73 2kb5 n GLN 91 N 4.06 3.34 -3.80 0.00 6.02 -1.26 -4.89 117.38 120.85 2kb5 n GLN 91 Ca -0.16 -4.84 -0.30 0.00 -0.01 0.00 0.00 57.00 51.69 2kb5 n GLN 91 Cb 0.52 -2.26 -0.15 0.00 1.02 0.00 0.00 30.24 29.37 2kb5 n GLN 91 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kb5 s ASN 92 N -3.23 4.18 0.33 1.08 2.20 -1.26 -4.77 114.94 113.47 2kb5 s ASN 92 Ca 0.47 -1.74 0.15 0.00 -0.94 0.00 0.00 52.86 50.81 2kb5 s ASN 92 Cb 0.26 -1.03 0.84 0.00 -2.00 0.00 0.00 41.25 39.31 2kb5 s ASN 92 CO -0.13 -0.40 1.39 2.30 -2.94 0.00 0.00 177.10 177.32 2kb5 n ILE 93 N 4.72 0.69 0.06 0.54 -5.35 -1.25 0.18 119.36 118.93 2kb5 n ILE 93 Ca -0.01 0.75 0.00 0.00 -0.27 0.00 0.00 62.75 63.23 2kb5 n ILE 93 Cb 0.42 -1.75 -0.06 0.00 -1.74 0.00 0.00 39.64 36.52 2kb5 n ILE 93 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2kb5 h SER 94 N 0.00 0.00 0.00 7.28 0.87 -1.93 -3.36 113.55 116.41 2kb5 h SER 94 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kb5 h SER 94 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2kb5 h SER 94 CO 0.00 0.57 -0.18 -3.20 -0.53 0.00 0.00 176.83 173.49 2kb5 n ASN 95 N -2.99 1.37 -4.51 6.23 5.15 0.21 -5.01 115.26 115.72 2kb5 n ASN 95 Ca -0.06 -2.51 -0.43 0.00 -0.60 0.00 0.00 54.58 50.98 2kb5 n ASN 95 Cb 0.81 -0.29 -0.04 0.00 -0.53 0.00 0.00 39.78 39.73 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb5 s ARG 97 N 4.00 3.63 0.35 0.00 1.81 -1.26 -4.95 118.95 122.53 2kb5 s ARG 97 Ca 0.29 -0.00 0.07 0.00 -1.72 0.00 0.00 55.73 54.36 2kb5 s ARG 97 Cb -0.13 -2.66 -0.07 0.00 -0.45 0.00 0.00 34.95 31.64 2kb5 s ARG 97 CO 0.17 0.22 -0.01 0.71 -0.68 0.00 0.00 175.30 175.71 2kb5 s TYR 98 N -2.07 2.24 -0.39 -0.53 2.02 -1.26 -1.44 117.35 115.92 2kb5 s TYR 98 Ca 0.44 -0.71 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 2kb5 s TYR 98 Cb -0.11 -1.43 0.10 0.00 -0.40 0.00 0.00 41.96 40.12 2kb5 s TYR 98 CO 0.30 0.33 0.17 0.00 -1.57 0.00 0.00 175.55 174.77 2kb5 s ALA 99 N -2.90 3.09 0.19 3.71 0.00 -0.78 -4.67 121.76 120.40 2kb5 s ALA 99 Ca 0.34 -2.44 -0.30 0.00 0.00 0.00 0.00 51.96 49.55 2kb5 s ALA 99 Cb 0.07 -2.32 -0.09 0.00 0.00 0.00 0.00 23.12 20.78 2kb5 s ALA 99 CO 0.16 -1.73 1.39 0.34 0.00 0.00 0.00 175.76 175.92 2kb5 s ASP 100 N 1.67 6.77 -0.26 0.00 -1.08 -1.26 -3.38 116.67 119.13 2kb5 s ASP 100 Ca 0.07 2.49 -0.01 0.00 -0.52 0.00 0.00 52.55 54.58 2kb5 s ASP 100 Cb -0.22 -2.61 0.14 0.00 -1.46 0.00 0.00 42.92 38.77 2kb5 s ASP 100 CO -0.04 -0.64 0.35 -0.60 0.52 0.00 0.00 175.17 174.76 2kb5 s ARG 101 N 0.16 0.34 0.59 4.34 6.06 -0.70 -4.98 118.95 124.77 2kb5 s ARG 101 Ca 0.60 0.24 -0.18 0.00 -2.50 0.00 0.00 55.73 53.90 2kb5 s ARG 101 Cb -0.39 -0.56 -0.03 0.00 0.06 0.00 0.00 34.95 34.02 2kb5 s ARG 101 CO 0.38 -0.83 1.12 -1.25 -2.50 0.00 0.00 175.30 172.21 2kb5 s PRO 102 N 2.48 3.12 0.00 5.12 0.04 -1.26 -1.13 135.00 143.37 2kb5 s PRO 102 Ca 0.10 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2kb5 s PRO 102 Cb -0.14 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2kb5 s PRO 102 CO -0.23 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.20 2kb5 n GLY 103 N -0.13 1.29 3.15 0.56 0.00 -0.94 -4.92 105.19 104.20 2kb5 n GLY 103 Ca 0.11 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 2.31 0.30 1.61 3.52 -1.26 0.10 118.95 123.54 2kb5 s ARG 104 Ca 0.00 -1.38 -0.10 0.00 -0.13 0.00 0.00 55.73 54.12 2kb5 s ARG 104 Cb 0.00 -3.24 0.04 0.00 -1.56 0.00 0.00 34.95 30.19 2kb5 s ARG 104 CO 0.00 -0.70 0.57 0.54 -0.81 0.00 0.00 175.30 174.90 2kb5 n ARG 105 N 4.59 0.82 -2.04 5.12 5.12 -0.48 -4.77 116.66 125.03 2kb5 n ARG 105 Ca -0.11 -1.85 -0.28 0.00 -1.93 0.00 0.00 57.85 53.68 2kb5 n ARG 105 Cb 0.43 2.18 0.14 0.00 -1.16 0.00 0.00 32.46 34.05 2kb5 n ARG 105 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2kb5 s PHE 106 N -3.58 2.05 0.01 -1.55 0.08 -1.26 -2.68 117.98 111.05 2kb5 s PHE 106 Ca 0.15 0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.55 2kb5 s PHE 106 Cb -0.03 -3.74 -0.01 0.00 -0.57 0.00 0.00 43.02 38.67 2kb5 s PHE 106 CO 0.11 -2.20 -0.01 1.52 -0.10 0.00 0.00 175.22 174.54 2kb5 s TYR 107 N -3.65 0.12 -0.40 0.36 1.13 -1.26 -0.23 117.35 113.41 2kb5 s TYR 107 Ca 0.69 -0.22 -0.12 0.00 -1.41 0.00 0.00 57.07 56.01 2kb5 s TYR 107 Cb -0.06 -0.09 0.04 0.00 -1.10 0.00 0.00 41.96 40.75 2kb5 s TYR 107 CO 0.50 -0.08 0.25 0.08 -2.51 0.00 0.00 175.55 173.80 2kb5 s VAL 108 N -0.61 4.65 -0.06 -3.49 1.01 0.27 -2.43 120.40 119.74 2kb5 s VAL 108 Ca -0.07 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.97 2kb5 s VAL 108 Cb -0.04 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2kb5 s VAL 108 CO -0.00 -0.35 -0.23 0.68 0.00 0.00 0.00 175.10 175.20 2kb5 s VAL 109 N 1.55 1.89 -0.41 2.92 -7.23 -1.23 -1.04 120.40 116.85 2kb5 s VAL 109 Ca 0.03 -0.96 -0.19 0.00 -1.81 0.00 0.00 61.98 59.04 2kb5 s VAL 109 Cb -0.21 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2kb5 s VAL 109 CO 0.06 0.53 0.57 0.00 -0.31 0.00 0.00 175.10 175.94 2kb5 s ALA 110 N 0.01 3.40 0.03 1.32 0.00 0.81 -2.44 121.76 124.90 2kb5 s ALA 110 Ca -0.07 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.51 2kb5 s ALA 110 Cb -0.14 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 2kb5 s ALA 110 CO 0.04 -1.57 0.51 0.00 0.00 0.00 0.00 175.76 174.74 2kb5 s ASP 112 N -0.87 -0.02 0.18 0.00 2.15 -0.67 -4.87 116.67 112.58 2kb5 s ASP 112 Ca 0.27 -1.05 -0.33 0.00 0.43 0.00 0.00 52.55 51.87 2kb5 s ASP 112 Cb -0.18 0.52 -0.14 0.00 -0.30 0.00 0.00 42.92 42.82 2kb5 s ASP 112 CO 0.16 -1.04 1.49 -3.20 -0.17 0.00 0.00 175.17 172.42 2kb5 n ASN 113 N -0.34 2.82 -4.74 -0.34 5.15 -1.26 -2.69 115.26 113.85 2kb5 n ASN 113 Ca -0.01 1.11 -0.32 0.00 -0.60 0.00 0.00 54.58 54.76 2kb5 n ASN 113 Cb 0.63 -1.40 -0.08 0.00 -0.53 0.00 0.00 39.78 38.40 2kb5 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb5 s ARG 114 N 0.41 2.16 0.05 1.20 1.04 -1.23 -4.92 118.95 117.65 2kb5 s ARG 114 Ca 0.76 -2.34 -0.29 0.00 -1.04 0.00 0.00 55.73 52.82 2kb5 s ARG 114 Cb -0.70 -1.57 -0.04 0.00 -2.04 0.00 0.00 34.95 30.60 2kb5 s ARG 114 CO 0.43 -0.31 0.93 -0.51 -0.04 0.00 0.00 175.30 175.80 2kb5 s ASP 115 N -3.86 7.38 0.00 -2.89 1.01 -1.26 -4.92 116.67 112.13 2kb5 s ASP 115 Ca 0.12 1.66 0.10 0.00 0.71 0.00 0.00 52.55 55.14 2kb5 s ASP 115 Cb 0.03 -2.56 0.63 0.00 1.01 0.00 0.00 42.92 42.03 2kb5 s ASP 115 CO 0.06 -0.14 1.06 -0.81 0.21 0.00 0.00 175.17 175.55 2kb5 n PRO 116 N 3.32 0.48 0.00 8.23 -0.04 -1.26 -1.94 135.00 143.79 2kb5 n PRO 116 Ca 0.03 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2kb5 n PRO 116 Cb 0.50 -1.34 0.04 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.84 1.22 -0.03 0.54 1.85 -1.26 -4.32 116.66 113.81 2kb5 n ARG 117 Ca 0.08 -0.98 -0.07 0.00 -1.00 0.00 0.00 57.85 55.88 2kb5 n ARG 117 Cb 0.04 -1.48 -0.02 0.00 -1.05 0.00 0.00 32.46 29.94 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 -0.03 1.06 -3.76 2.89 9.92 -0.82 -4.94 116.55 120.86 2kb5 n ASP 118 Ca 0.10 0.06 -0.30 0.00 -0.53 0.00 0.00 54.79 54.12 2kb5 n ASP 118 Cb 0.46 -0.18 -0.14 0.00 -0.64 0.00 0.00 41.12 40.63 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 -5.40 3.84 -0.02 -2.24 0.15 -1.15 -4.99 113.70 103.90 2kb5 s SER 119 Ca -0.09 -2.49 -0.25 0.00 0.70 0.00 0.00 55.95 53.81 2kb5 s SER 119 Cb 0.03 -1.11 -0.20 0.00 -1.71 0.00 0.00 66.02 63.04 2kb5 s SER 119 CO 0.12 -0.29 1.23 1.55 1.20 0.00 0.00 173.24 177.05 2kb5 h PRO 120 N 6.96 -0.05 0.68 5.44 0.13 -1.85 -3.35 132.00 139.96 2kb5 h PRO 120 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 2kb5 h PRO 120 Cb 0.94 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.09 2kb5 h PRO 120 CO 0.50 0.41 -0.33 0.07 -0.23 0.00 0.00 178.00 178.43 2kb5 h ARG 121 N -0.54 -0.89 -6.29 0.86 0.11 -1.95 -3.41 114.38 102.28 2kb5 h ARG 121 Ca -0.01 0.06 -0.57 0.00 0.10 0.00 0.00 59.98 59.57 2kb5 h ARG 121 Cb 0.49 0.20 -0.05 0.00 1.11 0.00 0.00 29.97 31.72 2kb5 h ARG 121 CO 0.01 -0.56 0.93 0.71 0.10 0.00 0.00 179.97 181.16 2kb5 s TYR 122 N -5.06 2.84 0.09 4.08 2.02 -1.26 -4.92 117.35 115.13 2kb5 s TYR 122 Ca -0.15 0.99 -0.16 0.00 -0.37 0.00 0.00 57.07 57.37 2kb5 s TYR 122 Cb 0.02 -3.76 -0.10 0.00 -0.40 0.00 0.00 41.96 37.72 2kb5 s TYR 122 CO 0.50 -1.47 1.40 -1.00 -1.57 0.00 0.00 175.55 173.41 2kb5 h PRO 123 N 8.76 0.62 -6.32 -1.71 0.13 -1.80 -3.44 132.00 128.25 2kb5 h PRO 123 Ca -0.25 -0.33 -0.60 0.00 -0.87 0.00 0.00 66.00 63.95 2kb5 h PRO 123 Cb 1.09 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 2kb5 h PRO 123 CO 1.02 0.93 -0.72 0.54 -0.23 0.00 0.00 178.00 179.54 2kb5 s VAL 124 N -4.35 2.97 0.07 1.56 0.11 -1.26 -3.58 120.40 115.91 2kb5 s VAL 124 Ca -0.13 -2.00 -0.14 0.00 -2.93 0.00 0.00 61.98 56.78 2kb5 s VAL 124 Cb 0.08 -2.53 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 2kb5 s VAL 124 CO 0.81 -0.28 0.32 0.68 -3.33 0.00 0.00 175.10 173.30 2kb5 s VAL 125 N -2.13 0.09 0.07 2.04 -7.23 -1.10 -4.91 120.40 107.24 2kb5 s VAL 125 Ca 0.28 -0.71 -0.31 0.00 -1.81 0.00 0.00 61.98 59.43 2kb5 s VAL 125 Cb -0.07 -1.04 -0.07 0.00 0.56 0.00 0.00 36.38 35.76 2kb5 s VAL 125 CO 0.16 -0.39 1.39 -2.16 -0.31 0.00 0.00 175.10 173.79 2kb5 s PRO 126 N -2.98 4.31 -0.01 4.82 0.04 -1.26 -1.66 135.00 138.25 2kb5 s PRO 126 Ca -0.02 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.07 2kb5 s PRO 126 Cb 0.01 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.21 2kb5 s PRO 126 CO -0.06 -0.47 0.84 1.33 0.04 0.00 0.00 177.00 178.67 2kb5 n VAL 127 N 4.19 0.65 -3.64 -0.36 0.24 0.05 -4.53 118.33 114.92 2kb5 n VAL 127 Ca 0.12 -0.69 -0.08 0.00 -2.04 0.00 0.00 64.34 61.64 2kb5 n VAL 127 Cb 0.43 0.60 -0.07 0.00 -1.47 0.00 0.00 33.84 33.33 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 -0.76 -0.66 -0.25 6.34 5.65 -1.24 -4.96 115.29 119.41 2kb5 s HIS 128 Ca 0.04 1.48 0.03 0.00 0.25 0.00 0.00 55.06 56.85 2kb5 s HIS 128 Cb 0.03 0.38 0.06 0.00 -1.18 0.00 0.00 32.58 31.87 2kb5 s HIS 128 CO 0.00 -0.32 -0.11 -1.17 -0.65 0.00 0.00 174.74 172.50 2kb5 s LEU 129 N 0.73 3.24 -0.01 8.88 1.98 -1.26 -0.13 118.68 132.10 2kb5 s LEU 129 Ca -0.02 -1.32 -0.21 0.00 -2.89 0.00 0.00 54.13 49.69 2kb5 s LEU 129 Cb -0.05 -1.49 -0.12 0.00 0.66 0.00 0.00 46.19 45.19 2kb5 s LEU 129 CO -0.09 -0.18 0.90 -0.78 -1.89 0.00 0.00 176.35 174.30 2kb5 h ASP 130 N 7.81 -0.57 -1.40 3.68 1.82 -1.48 -3.50 116.42 122.77 2kb5 h ASP 130 Ca -0.21 -0.02 0.12 0.00 -0.39 0.00 0.00 57.03 56.53 2kb5 h ASP 130 Cb 1.05 0.15 -0.02 0.00 0.68 0.00 0.00 39.33 41.19 2kb5 h ASP 130 CO 0.46 -0.16 0.36 1.07 -1.61 0.00 0.00 179.24 179.37 2kb5 n THR 131 N -5.23 0.00 -3.98 2.25 5.66 -1.26 -5.02 114.28 106.70 2kb5 n THR 131 Ca -0.09 -0.20 -0.31 0.00 -3.05 0.00 0.00 64.05 60.40 2kb5 n THR 131 Cb 0.29 0.35 -0.16 0.00 -1.55 0.00 0.00 70.33 69.26 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 -2.22 1.67 -0.44 1.09 -4.23 -1.26 -0.57 115.64 109.68 2kb5 s THR 132 Ca 0.13 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2kb5 s THR 132 Cb -0.01 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 72.01 2kb5 s THR 132 CO 0.02 0.05 0.11 -0.38 -0.54 0.00 0.00 174.62 173.87