#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 0.31 2.89 0.04 -1.26 -4.92 135.00 132.43 2kb5 s PRO 2 Ca 0.00 0.50 0.25 0.00 0.04 0.00 0.00 61.00 61.80 2kb5 s PRO 2 Cb 0.00 -1.73 1.06 0.00 0.04 0.00 0.00 34.50 33.87 2kb5 s PRO 2 CO 0.00 -2.77 1.76 -1.00 0.04 0.00 0.00 177.00 175.03 2kb5 h PRO 3 N -1.92 0.00 -0.01 0.56 0.13 -1.99 -2.28 132.00 126.50 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 -0.48 1.04 -0.23 0.00 0.00 178.00 178.90 2kb5 n GLN 4 N -2.38 0.54 -4.11 0.86 6.02 -1.26 -4.92 117.38 112.13 2kb5 n GLN 4 Ca 0.02 -0.37 -0.12 0.00 -0.01 0.00 0.00 57.00 56.51 2kb5 n GLN 4 Cb 0.24 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.71 0.78 0.42 1.08 0.08 -0.86 -5.11 117.98 111.66 2kb5 s PHE 5 Ca 0.17 -0.70 -0.02 0.00 0.12 0.00 0.00 56.93 56.50 2kb5 s PHE 5 Cb 0.18 -0.46 0.09 0.00 -0.57 0.00 0.00 43.02 42.26 2kb5 s PHE 5 CO 0.63 -0.11 0.57 0.25 -0.10 0.00 0.00 175.22 176.46 2kb5 n THR 6 N 0.75 0.00 0.08 0.64 -2.24 -1.26 -4.18 114.28 108.07 2kb5 n THR 6 Ca -0.18 -0.75 -0.10 0.00 -2.27 0.00 0.00 64.05 60.76 2kb5 n THR 6 Cb 0.58 -1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 67.50 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 0.25 0.00 -0.78 3.08 -1.94 -2.93 114.38 112.06 2kb5 h ARG 7 Ca -0.19 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2kb5 h ARG 7 Cb 0.64 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2kb5 h ARG 7 CO 0.18 0.98 -0.24 0.00 -1.07 0.00 0.00 179.97 179.83 2kb5 h ALA 8 N 0.92 0.00 -1.03 0.04 0.00 -1.94 -3.05 119.26 114.20 2kb5 h ALA 8 Ca -0.05 -0.34 0.30 0.00 0.00 0.00 0.00 54.91 54.82 2kb5 h ALA 8 Cb 1.51 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 2kb5 h ALA 8 CO 0.14 0.24 0.89 -0.56 0.00 0.00 0.00 179.25 179.95 2kb5 h GLN 9 N -0.53 0.00 0.00 0.00 -0.00 -1.85 1.33 115.11 114.05 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 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.69 2kb5 h GLN 9 CO 0.00 0.00 -1.14 2.35 -0.00 0.00 0.00 178.83 180.04 2kb5 h TRP 10 N 0.00 0.00 0.15 0.06 -0.00 -1.68 -3.16 115.95 111.31 2kb5 h TRP 10 Ca 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.37 2kb5 h TRP 10 Cb 2.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.42 2kb5 h TRP 10 CO 0.00 0.72 -0.07 0.35 -0.00 0.00 0.00 178.44 179.43 2kb5 h PHE 11 N 0.00 -0.19 0.00 2.65 3.04 0.19 -2.94 116.94 119.69 2kb5 h PHE 11 Ca -0.11 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.78 2kb5 h PHE 11 Cb 1.64 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 40.21 2kb5 h PHE 11 CO 0.00 0.08 -0.25 0.00 -2.02 0.00 0.00 178.31 176.12 2kb5 h ALA 12 N 0.36 1.25 -0.67 2.41 0.00 -1.60 0.12 119.26 121.14 2kb5 h ALA 12 Ca -0.02 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.80 2kb5 h ALA 12 Cb 0.35 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 2kb5 h ALA 12 CO 0.03 0.31 0.09 0.82 0.00 0.00 0.00 179.25 180.50 2kb5 h ILE 13 N 0.00 0.51 0.00 0.00 1.08 -1.48 2.72 117.51 120.35 2kb5 h ILE 13 Ca -0.00 -0.07 -0.09 0.00 -0.39 0.00 0.00 64.86 64.31 2kb5 h ILE 13 Cb 0.57 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 2kb5 h ILE 13 CO 0.03 0.04 -1.94 0.00 -0.69 0.00 0.00 178.15 175.59 2kb5 n GLN 14 N -5.21 0.74 0.00 2.37 0.00 -1.16 -4.30 117.38 109.82 2kb5 n GLN 14 Ca 0.11 -0.12 0.13 0.00 0.00 0.00 0.00 57.00 57.11 2kb5 n GLN 14 Cb 0.40 -1.44 0.32 0.00 0.00 0.00 0.00 30.24 29.52 2kb5 n GLN 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2kb5 n HIS 15 N -2.28 0.00 -3.67 2.61 8.25 0.41 -4.11 115.22 116.43 2kb5 n HIS 15 Ca -0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.16 2kb5 n HIS 15 Cb 0.64 -0.15 -0.18 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.66 -0.11 -0.23 1.59 1.09 0.91 -0.74 121.20 121.05 2kb5 s ILE 16 Ca 0.20 0.42 -0.04 0.00 -1.10 0.00 0.00 60.65 60.12 2kb5 s ILE 16 Cb 0.19 -0.15 0.12 0.00 -1.06 0.00 0.00 42.46 41.56 2kb5 s ILE 16 CO 0.58 0.17 0.42 -0.44 -0.10 0.00 0.00 174.94 175.58 2kb5 s SER 17 N 2.12 -0.15 0.06 3.58 0.01 -0.81 -4.39 113.70 114.12 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 1.35 -0.17 0.00 0.21 0.00 0.00 66.02 67.28 2kb5 s SER 17 CO -0.03 -0.27 1.55 -0.07 0.41 0.00 0.00 173.24 174.83 2kb5 h LEU 18 N 8.16 -0.39 -5.95 2.44 3.38 -1.81 -3.29 115.31 117.85 2kb5 h LEU 18 Ca -0.18 -0.05 -0.55 0.00 0.09 0.00 0.00 57.88 57.19 2kb5 h LEU 18 Cb 1.14 0.10 -0.40 0.00 0.09 0.00 0.00 40.66 41.58 2kb5 h LEU 18 CO 0.21 -0.20 -0.98 0.59 0.09 0.00 0.00 178.44 178.15 2kb5 n ASN 19 N -5.25 1.53 -4.77 -0.43 3.02 -1.26 -4.81 115.26 103.30 2kb5 n ASN 19 Ca -0.10 -3.04 -0.39 0.00 -0.03 0.00 0.00 54.58 51.02 2kb5 n ASN 19 Cb 0.23 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.05 4.11 0.00 3.52 0.04 -1.26 -5.05 135.00 134.32 2kb5 s PRO 20 Ca 0.39 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2kb5 s PRO 20 Cb 0.23 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 32.01 2kb5 s PRO 20 CO -0.09 -0.29 0.00 -0.35 0.04 0.00 0.00 177.00 176.31 2kb5 n PRO 21 N 0.23 0.64 -1.89 0.56 -0.04 -1.26 -4.90 135.00 128.34 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 0.45 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.53 4.18 0.48 0.54 1.81 -1.26 -4.56 118.95 119.61 2kb5 s ARG 22 Ca 0.00 2.37 0.35 0.00 -1.72 0.00 0.00 55.73 56.73 2kb5 s ARG 22 Cb 0.00 -3.70 1.21 0.00 -0.45 0.00 0.00 34.95 32.01 2kb5 s ARG 22 CO 0.00 -0.78 1.23 0.00 -0.68 0.00 0.00 175.30 175.07 2kb5 h THR 24 N 0.00 0.66 0.07 0.00 2.02 -1.83 -3.13 112.91 110.70 2kb5 h THR 24 Ca 0.66 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 67.48 2kb5 h THR 24 Cb 2.94 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.98 2kb5 h THR 24 CO -0.01 0.00 -2.06 -0.38 0.37 0.00 0.00 175.52 173.45 2kb5 n ILE 25 N -5.28 1.67 0.14 3.11 5.41 0.26 -4.11 119.36 120.56 2kb5 n ILE 25 Ca -0.09 -0.69 0.14 0.00 1.00 0.00 0.00 62.75 63.12 2kb5 n ILE 25 Cb 0.20 -1.44 0.39 0.00 -0.71 0.00 0.00 39.64 38.08 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 0.32 2.17 -0.93 -1.39 0.00 -0.52 1.74 119.26 120.66 2kb5 h ALA 26 Ca -0.43 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.00 2kb5 h ALA 26 Cb 2.02 0.03 -0.28 0.00 0.00 0.00 0.00 17.79 19.56 2kb5 h ALA 26 CO 0.05 -1.04 0.57 -1.33 0.00 0.00 0.00 179.25 177.50 2kb5 n MET 27 N -2.96 2.34 0.00 0.00 2.81 -1.18 -4.57 117.12 113.55 2kb5 n MET 27 Ca 0.07 -3.03 0.00 0.00 -1.81 0.00 0.00 57.70 52.93 2kb5 n MET 27 Cb 0.98 -2.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 2kb5 n MET 27 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2kb5 n ARG 28 N -1.07 0.00 -0.24 0.03 1.74 0.59 -3.24 116.66 114.48 2kb5 n ARG 28 Ca 0.56 0.10 0.31 0.00 -0.77 0.00 0.00 57.85 58.06 2kb5 n ARG 28 Cb 1.60 -0.45 0.74 0.00 -1.02 0.00 0.00 32.46 33.33 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 2.95 -0.09 7.54 0.00 -1.82 -1.62 119.26 124.23 2kb5 h ALA 29 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kb5 h ALA 29 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kb5 h ALA 29 CO 0.00 -1.27 0.00 -0.89 0.00 0.00 0.00 179.25 177.09 2kb5 n ILE 30 N -4.19 0.00 0.23 0.00 -0.00 -1.26 -3.43 119.36 110.71 2kb5 n ILE 30 Ca 0.21 0.84 0.10 0.00 -0.00 0.00 0.00 62.75 63.91 2kb5 n ILE 30 Cb 1.09 -1.83 0.36 0.00 -0.00 0.00 0.00 39.64 39.26 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 0.00 4.38 2.35 -1.46 0.47 115.58 121.32 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 0.05 -3.20 -1.65 0.00 0.00 177.43 172.63 2kb5 n ASN 32 N -2.82 0.10 0.24 5.81 5.15 -0.64 -1.02 115.26 122.09 2kb5 n ASN 32 Ca 0.04 0.51 0.11 0.00 -0.60 0.00 0.00 54.58 54.64 2kb5 n ASN 32 Cb 0.88 -0.52 0.61 0.00 -0.53 0.00 0.00 39.78 40.22 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 -4.00 1.20 -0.00 -0.25 -3.46 116.97 110.46 2kb5 h TYR 33 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.73 58.43 2kb5 h TYR 33 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 36.76 2kb5 h TYR 33 CO 0.00 0.17 -0.21 0.54 -0.00 0.00 0.00 178.16 178.66 2kb5 n ARG 34 N -3.52 0.54 -0.72 0.10 5.12 -0.18 -4.58 116.66 113.41 2kb5 n ARG 34 Ca -0.01 -2.61 0.08 0.00 -1.93 0.00 0.00 57.85 53.38 2kb5 n ARG 34 Cb 0.33 2.39 0.37 0.00 -1.16 0.00 0.00 32.46 34.39 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 -0.52 1.69 -4.44 -1.55 7.02 -1.26 -4.95 117.44 113.42 2kb5 n TRP 35 Ca 0.02 -0.68 -0.23 0.00 -1.02 0.00 0.00 57.50 55.60 2kb5 n TRP 35 Cb 0.52 -0.36 -0.10 0.00 -2.42 0.00 0.00 31.31 28.95 2kb5 n TRP 35 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 2kb5 s ARG 36 N -2.31 1.60 0.43 -0.99 3.52 -1.26 -4.92 118.95 115.02 2kb5 s ARG 36 Ca 0.52 -1.74 0.05 0.00 -0.13 0.00 0.00 55.73 54.42 2kb5 s ARG 36 Cb 0.37 -1.56 0.01 0.00 -1.56 0.00 0.00 34.95 32.21 2kb5 s ARG 36 CO 0.19 0.25 0.61 0.00 -0.81 0.00 0.00 175.30 175.54 2kb5 s LYS 38 N -4.43 2.86 0.10 0.00 2.47 -1.26 -5.02 119.74 114.46 2kb5 s LYS 38 Ca 0.53 -0.78 0.23 0.00 -1.56 0.00 0.00 55.97 54.39 2kb5 s LYS 38 Cb -0.10 -2.68 0.02 0.00 -1.46 0.00 0.00 37.83 33.62 2kb5 s LYS 38 CO 0.34 0.53 1.00 -1.71 0.16 0.00 0.00 175.35 175.68 2kb5 n ASN 39 N 0.14 0.63 -3.64 1.43 2.85 -1.26 -4.50 115.26 110.90 2kb5 n ASN 39 Ca -0.09 0.04 -0.05 0.00 -0.11 0.00 0.00 54.58 54.37 2kb5 n ASN 39 Cb 0.53 0.75 -0.07 0.00 1.24 0.00 0.00 39.78 42.23 2kb5 n ASN 39 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2kb5 s GLN 40 N -3.29 0.20 0.03 1.20 0.74 -1.26 -1.02 119.66 116.27 2kb5 s GLN 40 Ca 0.01 0.23 -0.01 0.00 0.05 0.00 0.00 55.36 55.65 2kb5 s GLN 40 Cb 0.13 0.10 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 2kb5 s GLN 40 CO 0.80 -0.02 -0.02 1.21 -0.55 0.00 0.00 175.29 176.70 2kb5 s ASN 41 N 0.07 0.34 -0.12 6.67 2.47 -0.44 -4.96 114.94 118.96 2kb5 s ASN 41 Ca 0.06 -0.71 -0.01 0.00 0.42 0.00 0.00 52.86 52.62 2kb5 s ASN 41 Cb -0.05 0.15 0.03 0.00 -1.45 0.00 0.00 41.25 39.93 2kb5 s ASN 41 CO -0.13 -0.44 -0.04 -0.89 -3.72 0.00 0.00 177.10 171.88 2kb5 s THR 42 N -2.56 0.85 -0.40 -5.21 2.01 -1.26 0.08 115.64 109.16 2kb5 s THR 42 Ca -0.06 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.57 2kb5 s THR 42 Cb -0.02 -0.98 0.07 0.00 0.01 0.00 0.00 72.50 71.58 2kb5 s THR 42 CO -0.05 0.24 0.22 -0.36 -0.69 0.00 0.00 174.62 173.98 2kb5 s PHE 43 N 1.77 3.34 -0.23 4.92 0.40 0.37 -4.11 117.98 124.44 2kb5 s PHE 43 Ca 0.04 -1.57 -0.28 0.00 -0.60 0.00 0.00 56.93 54.51 2kb5 s PHE 43 Cb -0.13 -2.81 0.00 0.00 0.51 0.00 0.00 43.02 40.59 2kb5 s PHE 43 CO -0.07 -0.83 0.98 -0.51 0.70 0.00 0.00 175.22 175.49 2kb5 s LEU 44 N 1.40 4.10 -1.10 -0.37 1.43 0.09 0.11 118.68 124.33 2kb5 s LEU 44 Ca 0.02 1.30 -0.24 0.00 -1.03 0.00 0.00 54.13 54.18 2kb5 s LEU 44 Cb -0.22 -3.45 -0.13 0.00 0.03 0.00 0.00 46.19 42.42 2kb5 s LEU 44 CO 0.02 -0.62 1.96 0.54 0.23 0.00 0.00 176.35 178.48 2kb5 n ARG 45 N 6.16 1.27 -3.49 1.70 1.74 -0.70 -1.92 116.66 121.43 2kb5 n ARG 45 Ca 0.10 -2.24 -0.10 0.00 -0.77 0.00 0.00 57.85 54.85 2kb5 n ARG 45 Cb 0.47 -3.67 -0.02 0.00 -1.02 0.00 0.00 32.46 28.22 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 11.64 0.00 0.29 0.55 -1.32 -1.26 -4.68 115.64 120.85 2kb5 s THR 46 Ca 0.70 -0.07 -0.13 0.00 -1.21 0.00 0.00 61.69 60.97 2kb5 s THR 46 Cb 0.00 -1.09 -0.08 0.00 -1.51 0.00 0.00 72.50 69.82 2kb5 s THR 46 CO 0.15 0.00 0.67 0.42 -2.21 0.00 0.00 174.62 173.65 2kb5 s THR 47 N -3.48 4.77 0.49 5.08 -4.23 -1.26 -4.40 115.64 112.61 2kb5 s THR 47 Ca 0.04 0.78 0.35 0.00 -1.18 0.00 0.00 61.69 61.67 2kb5 s THR 47 Cb -0.01 -3.62 0.55 0.00 1.34 0.00 0.00 72.50 70.76 2kb5 s THR 47 CO -0.10 -0.13 1.70 0.15 -0.54 0.00 0.00 174.62 175.70 2kb5 h PHE 48 N 2.39 0.26 0.59 3.99 3.57 -1.97 0.76 116.94 126.53 2kb5 h PHE 48 Ca -0.47 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 2kb5 h PHE 48 Cb 1.17 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.85 2kb5 h PHE 48 CO 0.62 -0.04 -0.28 0.00 -2.23 0.00 0.00 178.31 176.37 2kb5 h ALA 49 N 1.41 -0.80 -0.18 2.41 0.00 -1.99 -0.47 119.26 119.64 2kb5 h ALA 49 Ca 0.72 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.50 2kb5 h ALA 49 Cb 2.53 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 20.62 2kb5 h ALA 49 CO -0.17 -0.93 0.38 -0.91 0.00 0.00 0.00 179.25 177.63 2kb5 h ASN 50 N -0.84 0.00 0.11 0.00 2.35 -1.23 -0.22 115.58 115.75 2kb5 h ASN 50 Ca -0.08 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.45 2kb5 h ASN 50 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2kb5 h ASN 50 CO 0.13 0.00 -1.09 0.58 -1.65 0.00 0.00 177.43 175.40 2kb5 h VAL 51 N 0.00 1.25 -0.20 2.81 2.07 -1.18 -3.26 116.25 117.74 2kb5 h VAL 51 Ca 0.08 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.18 2kb5 h VAL 51 Cb 0.85 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 2kb5 h VAL 51 CO -0.00 0.67 0.13 0.58 0.02 0.00 0.00 177.57 178.97 2kb5 h VAL 52 N -0.43 1.05 0.00 2.57 2.07 0.57 -0.34 116.25 121.74 2kb5 h VAL 52 Ca -0.23 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2kb5 h VAL 52 Cb 1.63 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2kb5 h VAL 52 CO 0.07 0.05 -0.08 -1.13 0.02 0.00 0.00 177.57 176.50 2kb5 h ASN 53 N 0.27 0.00 0.79 0.57 -1.24 -1.44 -2.98 115.58 111.55 2kb5 h ASN 53 Ca 0.07 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.99 2kb5 h ASN 53 Cb -0.03 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 2kb5 h ASN 53 CO -0.02 0.08 -0.44 0.58 -1.29 0.00 0.00 177.43 176.35 2kb5 h VAL 54 N 0.00 1.03 -0.00 2.57 2.07 -1.09 -2.65 116.25 118.18 2kb5 h VAL 54 Ca -0.00 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2kb5 h VAL 54 Cb 0.78 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2kb5 h VAL 54 CO 0.01 0.43 -0.03 0.00 0.02 0.00 0.00 177.57 178.00 2kb5 n GLY 56 N 1.30 0.33 3.99 0.00 0.00 -1.00 -4.89 105.19 104.92 2kb5 n GLY 56 Ca 0.14 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.66 5.96 -0.50 1.61 0.01 -1.19 -4.98 114.94 114.18 2kb5 s ASN 57 Ca 0.34 -0.19 -0.37 0.00 -0.71 0.00 0.00 52.86 51.93 2kb5 s ASN 57 Cb 0.19 -1.22 -0.15 0.00 0.41 0.00 0.00 41.25 40.47 2kb5 s ASN 57 CO 0.28 -0.43 2.27 1.67 -1.51 0.00 0.00 177.10 179.38 2kb5 n GLN 58 N -1.64 0.57 -1.00 -0.60 -0.06 -1.26 -4.89 117.38 108.50 2kb5 n GLN 58 Ca -0.00 0.13 -0.29 0.00 -2.00 0.00 0.00 57.00 54.84 2kb5 n GLN 58 Cb 0.58 -2.08 0.18 0.00 -4.06 0.00 0.00 30.24 24.86 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 7.50 2.45 0.36 1.69 1.04 -1.26 -4.73 113.70 120.75 2kb5 s SER 59 Ca 1.16 1.40 -0.04 0.00 0.48 0.00 0.00 55.95 58.95 2kb5 s SER 59 Cb -1.07 -2.09 0.01 0.00 0.10 0.00 0.00 66.02 62.97 2kb5 s SER 59 CO 0.53 -3.27 0.53 0.27 0.98 0.00 0.00 173.24 172.28 2kb5 s ILE 60 N -2.82 0.00 -0.07 -1.02 -4.36 -1.16 -5.03 121.20 106.75 2kb5 s ILE 60 Ca 0.66 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 59.23 2kb5 s ILE 60 Cb -0.20 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.78 2kb5 s ILE 60 CO 0.59 0.00 1.29 -0.13 0.24 0.00 0.00 174.94 176.94 2kb5 s ARG 61 N -2.88 4.29 0.43 0.37 0.52 -1.26 -4.34 118.95 116.09 2kb5 s ARG 61 Ca 0.29 1.78 -0.22 0.00 -0.52 0.00 0.00 55.73 57.05 2kb5 s ARG 61 Cb -0.01 -3.64 -0.09 0.00 0.52 0.00 0.00 34.95 31.73 2kb5 s ARG 61 CO 0.20 -0.57 1.02 0.00 0.02 0.00 0.00 175.30 175.97 2kb5 h PRO 63 N 2.08 0.24 0.00 0.00 0.13 -1.94 -2.83 132.00 129.67 2kb5 h PRO 63 Ca -0.49 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.50 2kb5 h PRO 63 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kb5 h PRO 63 CO 0.61 0.65 -0.08 1.25 -0.23 0.00 0.00 178.00 180.21 2kb5 h HIS 64 N 0.19 0.00 -3.04 1.56 -0.00 -1.96 -3.41 115.15 108.50 2kb5 h HIS 64 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.10 2kb5 h HIS 64 Cb 0.89 0.00 -0.35 0.00 -0.00 0.00 0.00 27.41 27.95 2kb5 h HIS 64 CO 0.02 0.08 -0.62 0.54 -0.00 0.00 0.00 177.93 177.95 2kb5 s ASN 65 N -5.84 0.68 -0.01 3.26 2.20 -1.07 -5.00 114.94 109.16 2kb5 s ASN 65 Ca -0.02 0.38 0.01 0.00 -0.94 0.00 0.00 52.86 52.30 2kb5 s ASN 65 Cb 0.11 0.35 0.06 0.00 -2.00 0.00 0.00 41.25 39.78 2kb5 s ASN 65 CO 0.55 -0.24 0.79 -2.11 -2.94 0.00 0.00 177.10 173.15 2kb5 n ARG 66 N 5.33 1.23 0.05 3.55 1.85 -1.26 -3.84 116.66 123.58 2kb5 n ARG 66 Ca -0.05 -0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 2kb5 n ARG 66 Cb 0.50 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.57 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 -0.12 0.22 -2.19 8.89 5.66 -1.26 -5.06 114.28 120.43 2kb5 n THR 67 Ca 0.02 0.07 -0.41 0.00 -3.05 0.00 0.00 64.05 60.69 2kb5 n THR 67 Cb 0.20 -0.90 -0.03 0.00 -1.55 0.00 0.00 70.33 68.06 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 -6.14 4.44 -0.49 1.09 0.20 -1.26 -4.98 118.68 111.54 2kb5 s LEU 68 Ca 0.00 2.55 0.07 0.00 0.69 0.00 0.00 54.13 57.44 2kb5 s LEU 68 Cb 0.00 -3.63 0.27 0.00 -0.43 0.00 0.00 46.19 42.39 2kb5 s LEU 68 CO 0.00 -0.49 0.65 -0.46 -0.29 0.00 0.00 176.35 175.76 2kb5 n ASN 69 N 1.47 1.81 -0.58 3.68 6.94 -1.26 -3.53 115.26 123.78 2kb5 n ASN 69 Ca 0.02 -3.06 0.08 0.00 -0.02 0.00 0.00 54.58 51.60 2kb5 n ASN 69 Cb 0.42 -0.64 0.20 0.00 -2.36 0.00 0.00 39.78 37.40 2kb5 n ASN 69 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kb5 n ASN 70 N 0.99 2.99 -4.61 0.53 4.13 -1.26 -4.80 115.26 113.23 2kb5 n ASN 70 Ca 0.25 -3.19 -0.28 0.00 1.68 0.00 0.00 54.58 53.05 2kb5 n ASN 70 Cb 0.49 -0.51 -0.11 0.00 -1.54 0.00 0.00 39.78 38.11 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 -2.73 -0.07 -0.24 0.00 3.76 -1.20 -2.98 115.29 111.84 2kb5 s HIS 72 Ca 0.35 0.07 -0.09 0.00 -0.15 0.00 0.00 55.06 55.23 2kb5 s HIS 72 Cb 0.09 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.76 2kb5 s HIS 72 CO 0.18 -0.32 0.13 0.50 -0.85 0.00 0.00 174.74 174.38 2kb5 s ARG 73 N -1.28 3.96 -0.04 1.40 3.52 -1.26 -3.42 118.95 121.81 2kb5 s ARG 73 Ca -0.13 -0.33 -0.35 0.00 -0.13 0.00 0.00 55.73 54.79 2kb5 s ARG 73 Cb -0.06 -3.47 -0.13 0.00 -1.56 0.00 0.00 34.95 29.73 2kb5 s ARG 73 CO 0.03 0.01 1.79 -1.13 -0.81 0.00 0.00 175.30 175.18 2kb5 n SER 74 N 4.41 3.23 -0.07 -2.12 3.41 -1.16 -4.88 113.62 116.45 2kb5 n SER 74 Ca -0.15 1.01 -0.12 0.00 -0.26 0.00 0.00 58.87 59.35 2kb5 n SER 74 Cb 0.52 -1.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.06 2kb5 n SER 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2kb5 h ARG 75 N 8.19 0.36 -6.17 4.33 0.11 -1.95 -3.43 114.38 115.83 2kb5 h ARG 75 Ca -0.48 -0.12 -0.58 0.00 0.10 0.00 0.00 59.98 58.91 2kb5 h ARG 75 Cb 1.27 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 32.28 2kb5 h ARG 75 CO 0.93 0.57 -0.06 -0.06 0.10 0.00 0.00 179.97 181.44 2kb5 s PHE 76 N -4.94 3.78 0.37 4.08 0.08 -1.26 -5.01 117.98 115.07 2kb5 s PHE 76 Ca -0.14 1.21 -0.24 0.00 0.12 0.00 0.00 56.93 57.88 2kb5 s PHE 76 Cb 0.07 -2.47 -0.10 0.00 -0.57 0.00 0.00 43.02 39.94 2kb5 s PHE 76 CO 0.73 0.57 0.94 1.03 -0.10 0.00 0.00 175.22 178.39 2kb5 s ARG 77 N -0.97 4.43 0.02 0.44 3.00 -1.26 -4.70 118.95 119.90 2kb5 s ARG 77 Ca 0.28 1.24 -0.04 0.00 0.00 0.00 0.00 55.73 57.21 2kb5 s ARG 77 Cb -0.19 -2.54 -0.01 0.00 0.00 0.00 0.00 34.95 32.21 2kb5 s ARG 77 CO 0.18 0.15 0.05 0.14 0.00 0.00 0.00 175.30 175.82 2kb5 s VAL 78 N -1.85 0.11 -0.52 3.52 -7.23 -1.03 -4.87 120.40 108.53 2kb5 s VAL 78 Ca 0.55 -0.90 -0.27 0.00 -1.81 0.00 0.00 61.98 59.55 2kb5 s VAL 78 Cb -0.15 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.29 2kb5 s VAL 78 CO 0.19 -0.50 1.81 -2.16 -0.31 0.00 0.00 175.10 174.14 2kb5 s PRO 79 N -1.74 2.88 0.51 4.82 0.04 -1.26 -2.34 135.00 137.92 2kb5 s PRO 79 Ca -0.13 0.84 0.06 0.00 0.04 0.00 0.00 61.00 61.82 2kb5 s PRO 79 Cb -0.07 -4.31 0.05 0.00 0.04 0.00 0.00 34.50 30.20 2kb5 s PRO 79 CO -0.01 -2.42 0.71 -0.48 0.04 0.00 0.00 177.00 174.83 2kb5 s LEU 80 N 8.24 3.38 0.00 -3.56 0.05 0.14 -1.72 118.68 125.22 2kb5 s LEU 80 Ca 0.70 -0.45 0.04 0.00 0.05 0.00 0.00 54.13 54.47 2kb5 s LEU 80 Cb -0.15 -2.37 -0.01 0.00 -2.05 0.00 0.00 46.19 41.61 2kb5 s LEU 80 CO 0.25 -1.09 -0.13 -0.76 -0.55 0.00 0.00 176.35 174.07 2kb5 s LEU 81 N -4.58 2.05 -0.10 1.48 2.01 0.12 -2.65 118.68 117.01 2kb5 s LEU 81 Ca 0.58 -0.27 0.01 0.00 0.01 0.00 0.00 54.13 54.46 2kb5 s LEU 81 Cb -0.09 -0.63 -0.02 0.00 0.01 0.00 0.00 46.19 45.46 2kb5 s LEU 81 CO 0.37 0.13 -0.12 -1.00 1.01 0.00 0.00 176.35 176.73 2kb5 s HIS 82 N -0.41 2.80 -0.52 0.29 3.76 -0.87 -0.48 115.29 119.86 2kb5 s HIS 82 Ca 0.04 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 2kb5 s HIS 82 Cb -0.05 -1.77 0.18 0.00 1.11 0.00 0.00 32.58 32.05 2kb5 s HIS 82 CO -0.00 -0.02 0.44 0.00 -0.85 0.00 0.00 174.74 174.30 2kb5 s ASP 84 N -0.74 7.23 -0.36 0.00 -4.77 -1.05 -1.33 116.67 115.65 2kb5 s ASP 84 Ca 0.31 1.49 -0.29 0.00 -3.30 0.00 0.00 52.55 50.77 2kb5 s ASP 84 Cb 0.04 -2.52 -0.07 0.00 -1.09 0.00 0.00 42.92 39.27 2kb5 s ASP 84 CO -0.17 -0.26 2.30 -0.11 0.70 0.00 0.00 175.17 177.64 2kb5 n LEU 85 N 4.10 2.65 0.00 2.11 7.94 -0.19 -0.44 117.00 133.16 2kb5 n LEU 85 Ca 0.04 -0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.02 2kb5 n LEU 85 Cb 0.51 -1.49 0.46 0.00 0.53 0.00 0.00 43.42 43.43 2kb5 n LEU 85 CO 0.51 -0.99 0.68 -0.38 -1.11 0.00 0.00 177.39 176.10 2kb5 n ILE 86 N 7.75 0.07 -3.89 1.96 5.41 -0.93 -4.00 119.36 125.72 2kb5 n ILE 86 Ca 0.36 0.02 -0.28 0.00 1.00 0.00 0.00 62.75 63.84 2kb5 n ILE 86 Cb 0.43 -0.77 -0.12 0.00 -0.71 0.00 0.00 39.64 38.47 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 -2.07 4.61 -0.23 4.38 2.20 -1.26 -4.98 114.94 117.59 2kb5 s ASN 87 Ca 0.23 -3.64 -0.29 0.00 -0.94 0.00 0.00 52.86 48.22 2kb5 s ASN 87 Cb 0.11 -1.60 -0.03 0.00 -2.00 0.00 0.00 41.25 37.74 2kb5 s ASN 87 CO 0.19 -0.12 1.61 -2.16 -2.94 0.00 0.00 177.10 173.68 2kb5 s PRO 88 N -1.14 3.78 0.00 3.55 0.04 -1.26 -2.36 135.00 137.62 2kb5 s PRO 88 Ca 0.23 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 -0.13 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.01 2kb5 n GLY 89 N 4.68 0.53 3.77 0.56 0.00 -1.26 -5.08 105.19 108.39 2kb5 n GLY 89 Ca 0.19 0.00 -0.36 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 3.66 -0.50 4.61 0.00 -0.99 -5.03 121.76 121.51 2kb5 s ALA 90 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.34 2kb5 s ALA 90 Cb 0.00 -1.93 0.31 0.00 0.00 0.00 0.00 23.12 21.51 2kb5 s ALA 90 CO 0.00 0.44 0.78 1.04 0.00 0.00 0.00 175.76 178.02 2kb5 n GLN 91 N 2.62 2.04 -3.69 0.00 6.02 -1.26 -4.83 117.38 118.28 2kb5 n GLN 91 Ca -0.18 -4.13 -0.30 0.00 -0.01 0.00 0.00 57.00 52.38 2kb5 n GLN 91 Cb 0.54 -1.93 -0.14 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.64 3.75 0.56 1.08 -0.87 -1.26 -4.59 114.94 110.97 2kb5 s ASN 92 Ca 0.43 -2.08 0.21 0.00 -1.57 0.00 0.00 52.86 49.85 2kb5 s ASN 92 Cb 0.26 -0.87 1.13 0.00 -0.02 0.00 0.00 41.25 41.76 2kb5 s ASN 92 CO -0.09 -0.35 1.60 0.16 -2.57 0.00 0.00 177.10 175.85 2kb5 h ILE 93 N 5.84 0.00 0.42 0.60 3.07 -1.91 -0.80 117.51 124.73 2kb5 h ILE 93 Ca -0.07 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.32 2kb5 h ILE 93 Cb 0.98 0.46 0.00 0.00 -0.27 0.00 0.00 36.82 37.99 2kb5 h ILE 93 CO 0.45 0.00 -0.20 -1.28 -1.05 0.00 0.00 178.15 176.07 2kb5 h SER 94 N 0.00 -0.47 -1.40 2.16 0.87 -1.98 -3.33 113.55 109.39 2kb5 h SER 94 Ca 0.00 -0.11 -0.60 0.00 -1.23 0.00 0.00 61.79 59.85 2kb5 h SER 94 Cb 0.83 0.12 -0.41 0.00 -0.44 0.00 0.00 62.40 62.51 2kb5 h SER 94 CO 0.00 -0.12 -0.55 0.59 -0.53 0.00 0.00 176.83 176.21 2kb5 n ASN 95 N -5.21 5.07 -4.51 6.23 3.02 -0.42 -5.01 115.26 114.44 2kb5 n ASN 95 Ca -0.10 -3.74 -0.43 0.00 -0.03 0.00 0.00 54.58 50.28 2kb5 n ASN 95 Cb 0.29 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 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 4.04 3.63 -0.14 0.00 0.52 -1.26 -4.69 118.95 121.06 2kb5 s ARG 97 Ca 0.29 1.11 -0.12 0.00 -0.52 0.00 0.00 55.73 56.49 2kb5 s ARG 97 Cb -0.13 -2.08 0.04 0.00 0.52 0.00 0.00 34.95 33.29 2kb5 s ARG 97 CO 0.17 -0.54 0.37 0.71 0.02 0.00 0.00 175.30 176.03 2kb5 s TYR 98 N -2.48 -0.41 -0.16 -0.53 2.02 -1.26 -2.18 117.35 112.36 2kb5 s TYR 98 Ca 0.62 0.99 -0.16 0.00 -0.37 0.00 0.00 57.07 58.15 2kb5 s TYR 98 Cb -0.13 0.14 -0.04 0.00 -0.40 0.00 0.00 41.96 41.52 2kb5 s TYR 98 CO 0.33 -0.20 0.40 0.00 -1.57 0.00 0.00 175.55 174.50 2kb5 s ALA 99 N 0.25 3.54 -0.07 3.71 0.00 0.41 -4.61 121.76 125.00 2kb5 s ALA 99 Ca -0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 2kb5 s ALA 99 Cb -0.03 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 2kb5 s ALA 99 CO -0.00 -0.06 0.42 -0.51 0.00 0.00 0.00 175.76 175.61 2kb5 s ASP 100 N 0.70 6.72 -0.26 0.00 1.11 -1.25 -2.53 116.67 121.16 2kb5 s ASP 100 Ca 0.21 0.85 -0.01 0.00 0.18 0.00 0.00 52.55 53.78 2kb5 s ASP 100 Cb -0.14 -2.26 0.14 0.00 1.07 0.00 0.00 42.92 41.73 2kb5 s ASP 100 CO 0.07 0.17 0.35 -0.60 1.18 0.00 0.00 175.17 176.34 2kb5 s ARG 101 N -0.21 0.34 0.87 8.23 3.00 -0.90 -4.96 118.95 125.32 2kb5 s ARG 101 Ca 0.24 0.23 -0.11 0.00 -1.00 0.00 0.00 55.73 55.08 2kb5 s ARG 101 Cb -0.16 -0.57 0.11 0.00 0.00 0.00 0.00 34.95 34.34 2kb5 s ARG 101 CO 0.11 -0.84 1.09 -1.25 0.00 0.00 0.00 175.30 174.41 2kb5 s PRO 102 N 2.47 1.47 0.00 5.12 0.04 -1.26 -2.04 135.00 140.79 2kb5 s PRO 102 Ca 0.10 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2kb5 s PRO 102 Cb -0.14 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2kb5 s PRO 102 CO -0.23 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.10 2kb5 n GLY 103 N -1.14 0.91 2.94 0.56 0.00 -1.08 -4.93 105.19 102.44 2kb5 n GLY 103 Ca 0.07 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 1.59 0.25 1.61 3.52 -1.26 0.28 118.95 122.94 2kb5 s ARG 104 Ca 0.00 -1.08 -0.15 0.00 -0.13 0.00 0.00 55.73 54.37 2kb5 s ARG 104 Cb 0.00 -2.62 0.06 0.00 -1.56 0.00 0.00 34.95 30.83 2kb5 s ARG 104 CO 0.00 -0.65 0.77 0.54 -0.81 0.00 0.00 175.30 175.15 2kb5 n ARG 105 N 4.64 0.77 -0.94 5.12 1.74 -0.99 -4.81 116.66 122.19 2kb5 n ARG 105 Ca -0.10 -1.58 -0.14 0.00 -0.77 0.00 0.00 57.85 55.25 2kb5 n ARG 105 Cb 0.44 2.04 0.10 0.00 -1.02 0.00 0.00 32.46 34.02 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 -0.53 -3.99 -3.69 -1.55 3.72 -1.17 -2.47 117.46 107.78 2kb5 n PHE 106 Ca -0.05 -0.58 -0.11 0.00 -0.05 0.00 0.00 57.45 56.67 2kb5 n PHE 106 Cb 0.50 -0.50 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 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 -2.41 -0.65 -0.49 1.38 -0.85 -1.26 -1.71 117.35 111.36 2kb5 s TYR 107 Ca 0.37 1.43 -0.16 0.00 -0.52 0.00 0.00 57.07 58.19 2kb5 s TYR 107 Cb -0.01 0.30 0.08 0.00 0.38 0.00 0.00 41.96 42.71 2kb5 s TYR 107 CO 0.26 -0.34 0.44 0.08 -1.52 0.00 0.00 175.55 174.46 2kb5 s VAL 108 N 1.07 5.18 -0.08 -3.49 1.01 0.20 -2.99 120.40 121.31 2kb5 s VAL 108 Ca -0.07 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.89 2kb5 s VAL 108 Cb -0.06 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2kb5 s VAL 108 CO -0.10 -0.65 -0.15 0.68 0.00 0.00 0.00 175.10 174.89 2kb5 s VAL 109 N 1.77 2.98 -0.62 2.92 -7.23 -1.22 -0.18 120.40 118.82 2kb5 s VAL 109 Ca 0.05 -0.73 -0.26 0.00 -1.81 0.00 0.00 61.98 59.24 2kb5 s VAL 109 Cb -0.24 -2.19 0.04 0.00 0.56 0.00 0.00 36.38 34.55 2kb5 s VAL 109 CO 0.07 0.57 1.09 0.00 -0.31 0.00 0.00 175.10 176.51 2kb5 s ALA 110 N -0.31 3.02 -0.03 1.32 0.00 0.56 -3.23 121.76 123.09 2kb5 s ALA 110 Ca 0.03 -1.26 -0.19 0.00 0.00 0.00 0.00 51.96 50.53 2kb5 s ALA 110 Cb -0.13 -3.95 -0.05 0.00 0.00 0.00 0.00 23.12 18.99 2kb5 s ALA 110 CO 0.03 -2.73 0.55 0.00 0.00 0.00 0.00 175.76 173.61 2kb5 s ASP 112 N -0.11 0.12 -0.23 0.00 -1.08 -0.49 -4.72 116.67 110.16 2kb5 s ASP 112 Ca 0.29 -0.45 -0.34 0.00 -0.52 0.00 0.00 52.55 51.53 2kb5 s ASP 112 Cb -0.17 0.24 -0.10 0.00 -1.46 0.00 0.00 42.92 41.42 2kb5 s ASP 112 CO 0.15 -0.51 2.08 -0.46 0.52 0.00 0.00 175.17 176.95 2kb5 n ASN 113 N 0.82 2.81 -4.93 -0.34 6.94 -1.26 -2.87 115.26 116.43 2kb5 n ASN 113 Ca -0.19 0.58 -0.23 0.00 -0.02 0.00 0.00 54.58 54.72 2kb5 n ASN 113 Cb 0.58 -1.35 0.00 0.00 -2.36 0.00 0.00 39.78 36.65 2kb5 n ASN 113 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2kb5 s ARG 114 N 5.42 2.36 0.40 -3.83 1.81 -1.23 -4.98 118.95 118.90 2kb5 s ARG 114 Ca 1.02 -1.77 -0.26 0.00 -1.72 0.00 0.00 55.73 53.00 2kb5 s ARG 114 Cb -0.71 -2.34 -0.09 0.00 -0.45 0.00 0.00 34.95 31.37 2kb5 s ARG 114 CO 0.48 -0.55 1.22 -0.51 -0.68 0.00 0.00 175.30 175.26 2kb5 s ASP 115 N -4.34 6.45 0.54 0.23 1.01 -1.26 -4.88 116.67 114.42 2kb5 s ASP 115 Ca 0.46 2.47 0.32 0.00 0.71 0.00 0.00 52.55 56.51 2kb5 s ASP 115 Cb -0.04 -2.62 1.35 0.00 1.01 0.00 0.00 42.92 42.62 2kb5 s ASP 115 CO 0.28 -0.73 1.98 1.55 0.21 0.00 0.00 175.17 178.46 2kb5 h PRO 116 N 2.69 0.00 0.00 8.23 0.13 -1.94 -0.87 132.00 140.24 2kb5 h PRO 116 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kb5 h PRO 116 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kb5 h PRO 116 CO 0.63 0.04 0.00 0.07 -0.23 0.00 0.00 178.00 178.51 2kb5 h ARG 117 N 0.00 0.00 0.00 0.86 0.11 -1.99 -2.79 114.38 110.57 2kb5 h ARG 117 Ca -0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 2kb5 h ARG 117 Cb 0.52 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 2kb5 h ARG 117 CO 0.01 0.00 -1.39 -0.25 0.10 0.00 0.00 179.97 178.44 2kb5 n ASP 118 N -2.62 3.53 -3.39 0.08 9.92 -1.00 -4.81 116.55 118.26 2kb5 n ASP 118 Ca 0.01 -0.02 -0.28 0.00 -0.53 0.00 0.00 54.79 53.96 2kb5 n ASP 118 Cb 0.25 0.16 -0.07 0.00 -0.64 0.00 0.00 41.12 40.82 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 -2.52 4.15 0.03 -2.24 2.88 -0.36 -4.89 113.62 110.66 2kb5 n SER 119 Ca -0.11 -3.49 -0.13 0.00 -1.33 0.00 0.00 58.87 53.81 2kb5 n SER 119 Cb 0.65 -0.70 -0.09 0.00 -0.75 0.00 0.00 64.21 63.31 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 4.07 -0.10 -0.04 -1.46 0.13 -1.75 -3.29 132.00 129.55 2kb5 h PRO 120 Ca 0.19 0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.14 2kb5 h PRO 120 Cb 0.62 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2kb5 h PRO 120 CO 0.88 0.34 -0.78 0.07 -0.23 0.00 0.00 178.00 178.28 2kb5 h ARG 121 N -0.59 0.31 -5.30 0.86 0.11 -1.90 -3.43 114.38 104.44 2kb5 h ARG 121 Ca -0.01 -0.28 -0.63 0.00 0.10 0.00 0.00 59.98 59.16 2kb5 h ARG 121 Cb 0.49 0.07 -0.19 0.00 1.11 0.00 0.00 29.97 31.45 2kb5 h ARG 121 CO 0.02 0.95 -0.63 0.71 0.10 0.00 0.00 179.97 181.12 2kb5 s TYR 122 N -3.47 3.11 0.00 4.08 2.02 -1.24 -5.02 117.35 116.83 2kb5 s TYR 122 Ca -0.05 -0.16 -0.24 0.00 -0.37 0.00 0.00 57.07 56.26 2kb5 s TYR 122 Cb 0.10 -2.00 -0.18 0.00 -0.40 0.00 0.00 41.96 39.48 2kb5 s TYR 122 CO 0.83 0.04 1.30 -1.00 -1.57 0.00 0.00 175.55 175.15 2kb5 h PRO 123 N 6.68 0.14 -6.40 -1.71 0.13 -1.84 -3.41 132.00 125.58 2kb5 h PRO 123 Ca -0.33 -0.07 -0.62 0.00 -0.87 0.00 0.00 66.00 64.10 2kb5 h PRO 123 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2kb5 h PRO 123 CO 0.66 0.59 -0.74 0.54 -0.23 0.00 0.00 178.00 178.82 2kb5 s VAL 124 N -4.27 2.93 0.10 1.56 0.11 -1.26 -3.58 120.40 115.99 2kb5 s VAL 124 Ca -0.15 -1.92 -0.09 0.00 -2.93 0.00 0.00 61.98 56.90 2kb5 s VAL 124 Cb 0.03 -2.48 -0.00 0.00 -1.53 0.00 0.00 36.38 32.40 2kb5 s VAL 124 CO 0.71 -0.21 0.21 0.68 -3.33 0.00 0.00 175.10 173.16 2kb5 s VAL 125 N -1.95 0.13 0.31 2.04 -7.23 -1.14 -4.89 120.40 107.67 2kb5 s VAL 125 Ca 0.26 -1.23 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 2kb5 s VAL 125 Cb -0.08 -1.45 -0.10 0.00 0.56 0.00 0.00 36.38 35.32 2kb5 s VAL 125 CO 0.15 -0.57 1.23 -2.16 -0.31 0.00 0.00 175.10 173.43 2kb5 s PRO 126 N -3.88 4.47 0.00 4.82 0.04 -1.26 -1.39 135.00 137.79 2kb5 s PRO 126 Ca 0.08 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2kb5 s PRO 126 Cb 0.05 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2kb5 s PRO 126 CO -0.09 -0.04 0.16 1.33 0.04 0.00 0.00 177.00 178.40 2kb5 n VAL 127 N 1.03 0.00 -3.54 -0.36 0.24 0.22 -4.18 118.33 111.75 2kb5 n VAL 127 Ca -0.00 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 2kb5 n VAL 127 Cb 0.43 1.31 -0.05 0.00 -1.47 0.00 0.00 33.84 34.07 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 -0.19 -0.48 -0.22 6.34 5.65 -1.24 -4.96 115.29 120.19 2kb5 s HIS 128 Ca 0.00 0.72 0.01 0.00 0.25 0.00 0.00 55.06 56.05 2kb5 s HIS 128 Cb 0.00 0.46 0.05 0.00 -1.18 0.00 0.00 32.58 31.91 2kb5 s HIS 128 CO 0.00 -0.50 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.33 2kb5 s LEU 129 N -1.45 2.65 -0.01 8.88 1.98 -1.26 -0.32 118.68 129.14 2kb5 s LEU 129 Ca -0.04 -1.10 -0.22 0.00 -2.89 0.00 0.00 54.13 49.89 2kb5 s LEU 129 Cb -0.00 -1.30 -0.13 0.00 0.66 0.00 0.00 46.19 45.42 2kb5 s LEU 129 CO 0.02 -0.18 0.95 0.44 -1.89 0.00 0.00 176.35 175.69 2kb5 h ASP 130 N 7.92 -0.47 -2.07 3.68 3.32 -0.96 -3.49 116.42 124.35 2kb5 h ASP 130 Ca -0.23 -0.10 0.18 0.00 0.02 0.00 0.00 57.03 56.91 2kb5 h ASP 130 Cb 1.08 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 2kb5 h ASP 130 CO 0.45 -0.05 0.57 1.07 -1.72 0.00 0.00 179.24 179.56 2kb5 n THR 131 N -5.17 0.00 -3.93 0.35 5.66 -1.25 -5.01 114.28 104.93 2kb5 n THR 131 Ca -0.09 -0.36 -0.30 0.00 -3.05 0.00 0.00 64.05 60.25 2kb5 n THR 131 Cb 0.28 0.59 -0.16 0.00 -1.55 0.00 0.00 70.33 69.49 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 -2.11 1.45 0.00 1.09 -4.23 -1.26 -0.63 115.64 109.95 2kb5 s THR 132 Ca 0.21 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2kb5 s THR 132 Cb -0.02 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2kb5 s THR 132 CO 0.03 -0.05 0.22 0.00 -0.54 0.00 0.00 174.62 174.28