#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 0.00 2.89 0.04 -1.26 -4.92 135.00 132.12 2kb5 s PRO 2 Ca 0.00 0.50 0.14 0.00 0.04 0.00 0.00 61.00 61.68 2kb5 s PRO 2 Cb 0.00 -1.73 0.62 0.00 0.04 0.00 0.00 34.50 33.43 2kb5 s PRO 2 CO 0.00 -2.77 1.45 -0.35 0.04 0.00 0.00 177.00 175.37 2kb5 n PRO 3 N -4.20 0.02 0.01 0.56 -0.04 -1.26 -2.65 135.00 127.44 2kb5 n PRO 3 Ca 0.05 0.25 -0.17 0.00 -0.04 0.00 0.00 63.50 63.58 2kb5 n PRO 3 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2kb5 n PRO 3 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2kb5 h GLN 4 N 0.00 0.20 -6.17 0.54 4.20 -2.04 -3.47 115.11 108.37 2kb5 h GLN 4 Ca 0.00 -0.34 -0.60 0.00 0.06 0.00 0.00 58.65 57.76 2kb5 h GLN 4 Cb 0.24 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.01 2kb5 h GLN 4 CO 0.00 1.01 -0.73 -0.06 -0.67 0.00 0.00 178.83 178.39 2kb5 s PHE 5 N -2.58 2.38 0.28 2.96 0.08 -1.09 -5.11 117.98 114.91 2kb5 s PHE 5 Ca -0.15 -0.34 0.05 0.00 0.12 0.00 0.00 56.93 56.61 2kb5 s PHE 5 Cb 0.07 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 2kb5 s PHE 5 CO 0.80 0.68 0.41 0.95 -0.10 0.00 0.00 175.22 177.96 2kb5 s THR 6 N -2.49 4.79 0.66 0.64 -4.23 -1.26 -4.05 115.64 109.70 2kb5 s THR 6 Ca 0.31 -0.96 0.32 0.00 -1.18 0.00 0.00 61.69 60.17 2kb5 s THR 6 Cb -0.04 -3.69 0.33 0.00 1.34 0.00 0.00 72.50 70.44 2kb5 s THR 6 CO 0.16 -0.27 2.00 0.08 -0.54 0.00 0.00 174.62 176.05 2kb5 h ARG 7 N 1.04 0.00 0.00 3.99 0.11 -1.91 0.51 114.38 118.11 2kb5 h ARG 7 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2kb5 h ARG 7 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2kb5 h ARG 7 CO 0.58 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.65 2kb5 n ALA 8 N -1.97 0.00 0.16 0.08 0.00 -1.26 -3.00 120.51 114.53 2kb5 n ALA 8 Ca -0.01 -0.10 0.19 0.00 0.00 0.00 0.00 53.44 53.52 2kb5 n ALA 8 Cb 0.34 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.58 2kb5 n ALA 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2kb5 h GLN 9 N 0.00 0.00 0.00 0.00 -0.00 -1.85 0.31 115.11 113.57 2kb5 h GLN 9 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.44 2kb5 h GLN 9 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.45 2kb5 h GLN 9 CO 0.00 0.00 -1.10 2.35 -0.00 0.00 0.00 178.83 180.08 2kb5 h TRP 10 N 0.00 0.00 -0.10 0.06 -0.00 -0.17 -3.19 115.95 112.54 2kb5 h TRP 10 Ca 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.02 2kb5 h TRP 10 Cb 0.85 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.00 2kb5 h TRP 10 CO 0.00 0.90 0.05 0.35 -0.00 0.00 0.00 178.44 179.74 2kb5 h PHE 11 N 0.00 0.13 0.00 2.65 3.04 -0.29 -2.55 116.94 119.93 2kb5 h PHE 11 Ca -0.08 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.80 2kb5 h PHE 11 Cb 1.75 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 40.21 2kb5 h PHE 11 CO 0.00 0.16 -0.31 0.00 -2.02 0.00 0.00 178.31 176.14 2kb5 h ALA 12 N 0.96 1.36 -0.82 2.41 0.00 -1.65 0.33 119.26 121.85 2kb5 h ALA 12 Ca 0.03 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.77 2kb5 h ALA 12 Cb 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2kb5 h ALA 12 CO -0.01 0.39 0.53 0.82 0.00 0.00 0.00 179.25 180.99 2kb5 h ILE 13 N 0.00 0.90 0.00 0.00 1.08 -1.44 3.42 117.51 121.47 2kb5 h ILE 13 Ca -0.00 -0.24 -0.30 0.00 -0.39 0.00 0.00 64.86 63.93 2kb5 h ILE 13 Cb 0.60 0.15 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 2kb5 h ILE 13 CO 0.04 0.13 -2.13 0.00 -0.69 0.00 0.00 178.15 175.50 2kb5 n GLN 14 N -4.52 1.00 0.00 2.37 3.00 -1.06 -4.41 117.38 113.75 2kb5 n GLN 14 Ca 0.15 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.32 2kb5 n GLN 14 Cb 0.39 -1.41 0.42 0.00 0.00 0.00 0.00 30.24 29.64 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 -2.82 0.00 -3.77 1.08 8.25 0.11 -4.34 115.22 113.74 2kb5 n HIS 15 Ca -0.31 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.01 2kb5 n HIS 15 Cb 0.96 -0.07 -0.16 0.00 1.12 0.00 0.00 29.99 31.85 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 -2.29 -0.06 -0.30 1.59 1.01 1.13 -2.63 121.20 119.66 2kb5 s ILE 16 Ca 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 2kb5 s ILE 16 Cb 0.20 -0.12 0.19 0.00 0.01 0.00 0.00 42.46 42.73 2kb5 s ILE 16 CO 0.44 0.08 0.59 -0.44 0.00 0.00 0.00 174.94 175.62 2kb5 s SER 17 N 1.09 -1.30 0.00 3.58 0.01 -0.86 -4.11 113.70 112.11 2kb5 s SER 17 Ca -0.09 0.86 -0.25 0.00 1.31 0.00 0.00 55.95 57.78 2kb5 s SER 17 Cb -0.12 2.12 -0.17 0.00 0.21 0.00 0.00 66.02 68.05 2kb5 s SER 17 CO -0.04 -0.26 1.24 -0.07 0.41 0.00 0.00 173.24 174.52 2kb5 h LEU 18 N 8.01 -0.27 -5.65 2.44 3.38 -1.81 -3.07 115.31 118.34 2kb5 h LEU 18 Ca -0.23 -0.22 -0.57 0.00 0.09 0.00 0.00 57.88 56.95 2kb5 h LEU 18 Cb 1.16 0.07 -0.41 0.00 0.09 0.00 0.00 40.66 41.56 2kb5 h LEU 18 CO 0.26 0.11 -0.79 -0.46 0.09 0.00 0.00 178.44 177.65 2kb5 n ASN 19 N -5.07 3.27 -4.69 -0.43 0.23 -1.26 -4.75 115.26 102.56 2kb5 n ASN 19 Ca -0.09 -3.43 -0.42 0.00 -0.53 0.00 0.00 54.58 50.11 2kb5 n ASN 19 Cb 0.25 -0.60 -0.03 0.00 -2.08 0.00 0.00 39.78 37.32 2kb5 n ASN 19 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2kb5 s PRO 20 N -2.91 4.27 0.00 -0.53 0.04 -1.26 -5.03 135.00 129.58 2kb5 s PRO 20 Ca 0.44 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2kb5 s PRO 20 Cb 0.26 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2kb5 s PRO 20 CO -0.10 -0.61 0.00 -0.35 0.04 0.00 0.00 177.00 175.98 2kb5 n PRO 21 N 5.44 0.85 -1.77 0.56 -0.04 -1.26 -4.86 135.00 133.92 2kb5 n PRO 21 Ca 0.14 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 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 -0.22 3.59 0.24 0.54 1.81 -1.26 -4.63 118.95 119.01 2kb5 s ARG 22 Ca 0.00 2.08 0.12 0.00 -1.72 0.00 0.00 55.73 56.20 2kb5 s ARG 22 Cb 0.00 -4.22 0.82 0.00 -0.45 0.00 0.00 34.95 31.10 2kb5 s ARG 22 CO 0.00 -1.57 1.03 0.00 -0.68 0.00 0.00 175.30 174.08 2kb5 h THR 24 N 0.00 0.17 0.08 0.00 2.02 -1.87 -1.76 112.91 111.56 2kb5 h THR 24 Ca 0.53 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 67.39 2kb5 h THR 24 Cb 1.37 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2kb5 h THR 24 CO -0.52 0.00 -1.72 0.40 0.37 0.00 0.00 175.52 174.05 2kb5 h ILE 25 N -0.26 0.75 -0.25 3.11 2.04 0.19 -3.35 117.51 119.74 2kb5 h ILE 25 Ca 0.18 -2.29 0.07 0.00 1.00 0.00 0.00 64.86 63.81 2kb5 h ILE 25 Cb 0.56 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 2kb5 h ILE 25 CO -0.59 0.69 0.83 0.00 0.00 0.00 0.00 178.15 179.08 2kb5 h ALA 26 N -0.13 2.04 -0.66 1.87 0.00 -0.29 1.48 119.26 123.57 2kb5 h ALA 26 Ca -0.39 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.22 2kb5 h ALA 26 Cb 1.78 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 19.42 2kb5 h ALA 26 CO -0.01 -0.96 0.36 0.00 0.00 0.00 0.00 179.25 178.64 2kb5 n MET 27 N -2.86 2.47 -0.07 0.00 0.00 -0.67 -4.33 117.12 111.67 2kb5 n MET 27 Ca 0.05 -2.28 -0.07 0.00 0.00 0.00 0.00 57.70 55.40 2kb5 n MET 27 Cb 0.92 -1.94 -0.03 0.00 0.00 0.00 0.00 33.22 32.17 2kb5 n MET 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 2kb5 h ARG 28 N 1.35 0.00 -0.04 3.17 0.11 0.18 -3.21 114.38 115.95 2kb5 h ARG 28 Ca 0.35 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.27 2kb5 h ARG 28 Cb 2.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.26 2kb5 h ARG 28 CO 0.71 0.22 -0.71 0.00 0.10 0.00 0.00 179.97 180.29 2kb5 h ALA 29 N -0.85 0.73 -0.47 0.08 0.00 -1.78 -3.10 119.26 113.87 2kb5 h ALA 29 Ca -0.05 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2kb5 h ALA 29 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kb5 h ALA 29 CO -0.03 0.81 0.00 -0.89 0.00 0.00 0.00 179.25 179.14 2kb5 n ILE 30 N -3.78 0.00 0.27 0.00 -0.00 -1.26 -2.93 119.36 111.66 2kb5 n ILE 30 Ca -0.03 1.10 0.06 0.00 -0.00 0.00 0.00 62.75 63.89 2kb5 n ILE 30 Cb 0.69 -2.05 0.35 0.00 -0.00 0.00 0.00 39.64 38.63 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 -1.70 0.84 115.58 121.45 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 0.22 -3.20 -1.65 0.00 0.00 177.43 172.80 2kb5 n ASN 32 N -2.40 0.40 0.13 5.81 5.15 -1.15 0.43 115.26 123.62 2kb5 n ASN 32 Ca -0.01 0.61 0.01 0.00 -0.60 0.00 0.00 54.58 54.60 2kb5 n ASN 32 Cb 0.61 -0.59 0.04 0.00 -0.53 0.00 0.00 39.78 39.30 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 -4.66 1.20 -0.00 -1.01 -3.47 116.97 109.03 2kb5 h TYR 33 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 58.73 58.25 2kb5 h TYR 33 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 37.06 2kb5 h TYR 33 CO 0.00 0.57 -0.41 2.89 -0.00 0.00 0.00 178.16 181.22 2kb5 n ARG 34 N -3.28 0.61 -0.35 0.10 1.85 0.17 -4.62 116.66 111.14 2kb5 n ARG 34 Ca 0.01 -3.01 0.08 0.00 -1.00 0.00 0.00 57.85 53.93 2kb5 n ARG 34 Cb 0.74 1.67 0.22 0.00 -1.05 0.00 0.00 32.46 34.05 2kb5 n ARG 34 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2kb5 n TRP 35 N -0.79 0.75 -4.31 2.89 7.02 -1.26 -4.91 117.44 116.82 2kb5 n TRP 35 Ca -0.05 -0.78 -0.20 0.00 -1.02 0.00 0.00 57.50 55.45 2kb5 n TRP 35 Cb 0.53 -0.23 -0.08 0.00 -2.42 0.00 0.00 31.31 29.12 2kb5 n TRP 35 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 2kb5 s ARG 36 N -2.33 1.77 -0.10 -0.99 1.70 -1.26 -4.69 118.95 113.04 2kb5 s ARG 36 Ca 0.36 -2.03 -0.03 0.00 -0.47 0.00 0.00 55.73 53.56 2kb5 s ARG 36 Cb 0.27 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.82 2kb5 s ARG 36 CO 0.10 -0.62 0.02 0.00 -1.08 0.00 0.00 175.30 173.72 2kb5 s LYS 38 N -0.71 4.17 0.44 0.00 2.36 -1.26 -4.87 119.74 119.87 2kb5 s LYS 38 Ca 0.11 1.89 0.30 0.00 -2.55 0.00 0.00 55.97 55.72 2kb5 s LYS 38 Cb -0.12 -3.89 1.40 0.00 -1.05 0.00 0.00 37.83 34.17 2kb5 s LYS 38 CO 0.02 -0.83 1.65 -0.97 1.55 0.00 0.00 175.35 176.78 2kb5 h ASN 39 N 9.04 0.25 -2.82 1.43 -1.24 -1.96 -3.36 115.58 116.92 2kb5 h ASN 39 Ca -0.33 0.11 0.09 0.00 0.71 0.00 0.00 56.30 56.88 2kb5 h ASN 39 Cb 1.14 0.10 -0.26 0.00 0.73 0.00 0.00 38.32 40.02 2kb5 h ASN 39 CO 0.97 -0.12 0.39 -1.58 -1.29 0.00 0.00 177.43 175.79 2kb5 s GLN 40 N -5.28 0.45 0.01 6.67 0.74 -1.26 -1.40 119.66 119.58 2kb5 s GLN 40 Ca -0.08 0.68 0.00 0.00 0.05 0.00 0.00 55.36 56.01 2kb5 s GLN 40 Cb 0.29 0.14 -0.01 0.00 1.10 0.00 0.00 33.01 34.53 2kb5 s GLN 40 CO 0.82 -0.08 -0.02 1.21 -0.55 0.00 0.00 175.29 176.67 2kb5 s ASN 41 N 0.93 0.19 -0.17 6.67 3.04 -1.22 -4.99 114.94 119.39 2kb5 s ASN 41 Ca -0.04 -0.19 -0.03 0.00 0.04 0.00 0.00 52.86 52.64 2kb5 s ASN 41 Cb -0.04 0.02 -0.02 0.00 -1.54 0.00 0.00 41.25 39.67 2kb5 s ASN 41 CO -0.12 -0.09 -0.06 -0.89 -3.04 0.00 0.00 177.10 172.90 2kb5 s THR 42 N -0.53 3.52 -0.40 -5.21 2.01 -1.26 -2.07 115.64 111.70 2kb5 s THR 42 Ca -0.05 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 2kb5 s THR 42 Cb -0.04 -2.55 0.09 0.00 0.01 0.00 0.00 72.50 70.01 2kb5 s THR 42 CO -0.00 0.47 0.21 -0.36 -0.69 0.00 0.00 174.62 174.26 2kb5 s PHE 43 N 0.74 3.40 -0.30 4.92 0.08 0.86 -4.15 117.98 123.53 2kb5 s PHE 43 Ca -0.03 -1.84 -0.21 0.00 0.12 0.00 0.00 56.93 54.98 2kb5 s PHE 43 Cb -0.15 -2.95 -0.01 0.00 -0.57 0.00 0.00 43.02 39.34 2kb5 s PHE 43 CO 0.02 -0.89 0.65 -0.48 -0.10 0.00 0.00 175.22 174.42 2kb5 s LEU 44 N 1.32 4.12 -1.01 -0.37 2.34 -1.08 0.35 118.68 124.35 2kb5 s LEU 44 Ca 0.03 0.51 -0.25 0.00 0.06 0.00 0.00 54.13 54.48 2kb5 s LEU 44 Cb -0.23 -2.85 -0.17 0.00 -0.56 0.00 0.00 46.19 42.38 2kb5 s LEU 44 CO -0.00 -0.47 1.96 0.54 -1.06 0.00 0.00 176.35 177.32 2kb5 n ARG 45 N 5.88 0.96 -3.76 1.48 1.74 -1.16 -2.03 116.66 119.77 2kb5 n ARG 45 Ca -0.00 -2.03 -0.10 0.00 -0.77 0.00 0.00 57.85 54.95 2kb5 n ARG 45 Cb 0.49 -3.61 -0.06 0.00 -1.02 0.00 0.00 32.46 28.26 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 12.18 0.09 0.11 0.55 -1.32 -1.26 -4.80 115.64 121.19 2kb5 s THR 46 Ca 0.72 -0.89 -0.12 0.00 -1.21 0.00 0.00 61.69 60.19 2kb5 s THR 46 Cb 0.01 -1.35 -0.06 0.00 -1.51 0.00 0.00 72.50 69.59 2kb5 s THR 46 CO 0.17 -0.40 0.47 0.42 -2.21 0.00 0.00 174.62 173.07 2kb5 s THR 47 N -3.85 4.98 0.46 5.08 -4.23 -1.26 -4.52 115.64 112.30 2kb5 s THR 47 Ca 0.06 0.62 0.30 0.00 -1.18 0.00 0.00 61.69 61.49 2kb5 s THR 47 Cb 0.03 -3.68 0.50 0.00 1.34 0.00 0.00 72.50 70.68 2kb5 s THR 47 CO -0.09 0.26 1.69 0.15 -0.54 0.00 0.00 174.62 176.08 2kb5 h PHE 48 N 3.61 0.42 0.53 3.99 3.57 -1.98 0.64 116.94 127.73 2kb5 h PHE 48 Ca -0.49 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 2kb5 h PHE 48 Cb 1.19 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 2kb5 h PHE 48 CO 0.66 -0.08 -0.32 0.00 -2.23 0.00 0.00 178.31 176.33 2kb5 h ALA 49 N 1.52 -0.82 -0.36 2.41 0.00 -1.99 -0.61 119.26 119.41 2kb5 h ALA 49 Ca 0.73 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.54 2kb5 h ALA 49 Cb 2.34 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 20.46 2kb5 h ALA 49 CO -0.28 -0.98 -0.04 -0.91 0.00 0.00 0.00 179.25 177.04 2kb5 h ASN 50 N -0.81 -0.24 -0.84 0.00 2.35 -1.27 -1.48 115.58 113.29 2kb5 h ASN 50 Ca -0.06 0.10 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 2kb5 h ASN 50 Cb 0.66 0.18 -0.07 0.00 0.05 0.00 0.00 38.32 39.15 2kb5 h ASN 50 CO 0.07 -0.08 0.50 0.58 -1.65 0.00 0.00 177.43 176.85 2kb5 h VAL 51 N 0.05 0.98 -0.52 2.81 2.07 -1.32 -0.76 116.25 119.55 2kb5 h VAL 51 Ca 0.18 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.47 2kb5 h VAL 51 Cb 0.26 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 2kb5 h VAL 51 CO -0.33 0.16 0.35 0.58 0.02 0.00 0.00 177.57 178.35 2kb5 h VAL 52 N 0.88 0.93 0.00 2.57 2.07 -0.05 0.94 116.25 123.59 2kb5 h VAL 52 Ca 0.38 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.73 2kb5 h VAL 52 Cb 0.26 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2kb5 h VAL 52 CO -0.21 0.07 -0.19 -1.13 0.02 0.00 0.00 177.57 176.13 2kb5 h ASN 53 N 0.38 0.00 0.88 0.57 -1.24 -0.76 -3.00 115.58 112.41 2kb5 h ASN 53 Ca 0.24 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 2kb5 h ASN 53 Cb 0.44 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 2kb5 h ASN 53 CO -0.06 0.19 -0.26 0.58 -1.29 0.00 0.00 177.43 176.60 2kb5 h VAL 54 N 0.00 0.64 0.00 2.57 2.07 -0.48 -2.69 116.25 118.35 2kb5 h VAL 54 Ca -0.00 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2kb5 h VAL 54 Cb 0.91 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2kb5 h VAL 54 CO 0.03 0.25 -0.48 0.00 0.02 0.00 0.00 177.57 177.38 2kb5 n GLY 56 N 1.27 -0.32 3.94 0.00 0.00 -1.02 -4.86 105.19 104.20 2kb5 n GLY 56 Ca 0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.92 5.65 -0.49 1.61 0.01 -1.23 -4.94 114.94 113.63 2kb5 s ASN 57 Ca 0.39 0.47 -0.37 0.00 -0.71 0.00 0.00 52.86 52.64 2kb5 s ASN 57 Cb 0.20 -1.55 -0.15 0.00 0.41 0.00 0.00 41.25 40.16 2kb5 s ASN 57 CO 0.33 -0.93 2.25 1.67 -1.51 0.00 0.00 177.10 178.92 2kb5 n GLN 58 N -2.36 0.58 -0.99 -0.60 -0.06 -1.26 -4.89 117.38 107.80 2kb5 n GLN 58 Ca 0.03 0.14 -0.29 0.00 -2.00 0.00 0.00 57.00 54.88 2kb5 n GLN 58 Cb 0.58 -2.09 0.19 0.00 -4.06 0.00 0.00 30.24 24.86 2kb5 n GLN 58 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2kb5 s SER 59 N 7.41 2.42 0.31 1.69 0.15 -1.26 -4.63 113.70 119.80 2kb5 s SER 59 Ca 1.16 1.41 -0.06 0.00 0.70 0.00 0.00 55.95 59.15 2kb5 s SER 59 Cb -1.08 -2.09 0.03 0.00 -1.71 0.00 0.00 66.02 61.17 2kb5 s SER 59 CO 0.53 -3.29 0.52 2.30 1.20 0.00 0.00 173.24 174.51 2kb5 n ILE 60 N -4.30 0.00 -2.61 6.45 -5.35 -1.13 -5.00 119.36 107.42 2kb5 n ILE 60 Ca 0.05 -1.23 -0.42 0.00 -0.27 0.00 0.00 62.75 60.88 2kb5 n ILE 60 Cb 0.56 0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 39.33 2kb5 n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kb5 s ARG 61 N -2.43 4.41 0.36 6.28 3.03 -1.26 -4.27 118.95 125.08 2kb5 s ARG 61 Ca 0.20 1.49 -0.26 0.00 2.03 0.00 0.00 55.73 59.19 2kb5 s ARG 61 Cb -0.02 -3.54 -0.09 0.00 -1.03 0.00 0.00 34.95 30.27 2kb5 s ARG 61 CO 0.15 -0.34 1.07 0.00 -1.13 0.00 0.00 175.30 175.05 2kb5 h PRO 63 N 2.93 0.42 0.00 0.00 0.13 -1.95 -2.81 132.00 130.72 2kb5 h PRO 63 Ca -0.48 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2kb5 h PRO 63 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kb5 h PRO 63 CO 0.64 0.79 0.00 0.45 -0.23 0.00 0.00 178.00 179.64 2kb5 h HIS 64 N 0.34 0.00 -2.85 1.56 3.86 -1.94 -3.41 115.15 112.71 2kb5 h HIS 64 Ca 0.02 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.93 2kb5 h HIS 64 Cb 0.92 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 29.04 2kb5 h HIS 64 CO 0.03 0.00 -0.62 -0.80 0.86 0.00 0.00 177.93 177.40 2kb5 s ASN 65 N -5.41 1.01 -0.06 2.45 -0.87 -1.06 -5.01 114.94 105.99 2kb5 s ASN 65 Ca 0.02 0.12 0.02 0.00 -1.57 0.00 0.00 52.86 51.45 2kb5 s ASN 65 Cb 0.09 0.35 0.16 0.00 -0.02 0.00 0.00 41.25 41.83 2kb5 s ASN 65 CO 0.52 -0.28 0.85 -2.11 -2.57 0.00 0.00 177.10 173.51 2kb5 n ARG 66 N 5.32 1.68 0.03 -0.60 1.85 -1.25 -3.70 116.66 119.99 2kb5 n ARG 66 Ca -0.05 -0.64 0.00 0.00 -1.00 0.00 0.00 57.85 56.16 2kb5 n ARG 66 Cb 0.50 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 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 0.14 0.08 -2.21 8.89 5.66 -1.26 -5.06 114.28 120.52 2kb5 n THR 67 Ca 0.07 0.03 -0.41 0.00 -3.05 0.00 0.00 64.05 60.69 2kb5 n THR 67 Cb 0.51 -0.79 -0.03 0.00 -1.55 0.00 0.00 70.33 68.47 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 -5.70 4.41 -0.55 1.09 0.20 -1.25 -4.98 118.68 111.90 2kb5 s LEU 68 Ca 0.00 2.40 0.07 0.00 0.69 0.00 0.00 54.13 57.28 2kb5 s LEU 68 Cb 0.00 -3.61 0.27 0.00 -0.43 0.00 0.00 46.19 42.42 2kb5 s LEU 68 CO 0.00 -0.53 0.71 -0.46 -0.29 0.00 0.00 176.35 175.78 2kb5 n ASN 69 N 2.70 2.76 -0.35 3.68 6.94 -1.26 -3.57 115.26 126.16 2kb5 n ASN 69 Ca 0.06 -3.26 0.06 0.00 -0.02 0.00 0.00 54.58 51.42 2kb5 n ASN 69 Cb 0.43 -0.65 0.09 0.00 -2.36 0.00 0.00 39.78 37.29 2kb5 n ASN 69 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2kb5 n ASN 70 N 0.83 1.37 -4.22 0.53 5.15 -1.26 -4.84 115.26 112.81 2kb5 n ASN 70 Ca 0.27 -2.69 -0.32 0.00 -0.60 0.00 0.00 54.58 51.24 2kb5 n ASN 70 Cb 0.45 -0.35 -0.17 0.00 -0.53 0.00 0.00 39.78 39.19 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb5 s HIS 72 N 0.35 3.04 -0.43 0.00 3.76 -1.06 -2.84 115.29 118.11 2kb5 s HIS 72 Ca -0.18 0.06 -0.15 0.00 -0.15 0.00 0.00 55.06 54.63 2kb5 s HIS 72 Cb -0.18 -1.77 0.03 0.00 1.11 0.00 0.00 32.58 31.77 2kb5 s HIS 72 CO 0.09 0.34 0.32 0.50 -0.85 0.00 0.00 174.74 175.14 2kb5 s ARG 73 N -0.69 2.97 1.02 1.40 3.52 -1.26 -3.36 118.95 122.55 2kb5 s ARG 73 Ca 0.11 -1.11 -0.22 0.00 -0.13 0.00 0.00 55.73 54.38 2kb5 s ARG 73 Cb -0.12 -4.01 -0.10 0.00 -1.56 0.00 0.00 34.95 29.16 2kb5 s ARG 73 CO 0.02 -0.82 -0.88 -1.13 -0.81 0.00 0.00 175.30 171.68 2kb5 n SER 74 N 5.17 -3.51 -0.10 -2.12 3.41 -1.23 -4.96 113.62 110.27 2kb5 n SER 74 Ca -0.11 0.05 -0.18 0.00 -0.26 0.00 0.00 58.87 58.36 2kb5 n SER 74 Cb 0.46 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.61 2kb5 n SER 74 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2kb5 n ARG 75 N 1.16 0.47 -2.35 4.33 1.85 -1.26 -4.85 116.66 116.01 2kb5 n ARG 75 Ca -0.01 0.16 -0.30 0.00 -1.00 0.00 0.00 57.85 56.71 2kb5 n ARG 75 Cb 0.66 -1.33 -0.00 0.00 -1.05 0.00 0.00 32.46 30.74 2kb5 n ARG 75 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2kb5 s PHE 76 N -2.39 3.57 -0.13 2.89 0.40 -1.26 -5.01 117.98 116.04 2kb5 s PHE 76 Ca -0.28 1.08 -0.06 0.00 -0.60 0.00 0.00 56.93 57.07 2kb5 s PHE 76 Cb 0.09 -2.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 2kb5 s PHE 76 CO 0.42 -0.42 0.07 1.03 0.70 0.00 0.00 175.22 177.01 2kb5 s ARG 77 N -4.74 3.52 0.05 0.44 0.52 -1.26 -4.56 118.95 112.92 2kb5 s ARG 77 Ca 0.52 -0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.49 2kb5 s ARG 77 Cb -0.11 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 2kb5 s ARG 77 CO 0.45 0.55 -0.16 0.14 0.02 0.00 0.00 175.30 176.31 2kb5 s VAL 78 N -0.42 1.29 -0.50 3.52 -7.23 -1.10 -4.87 120.40 111.09 2kb5 s VAL 78 Ca 0.10 -1.14 -0.27 0.00 -1.81 0.00 0.00 61.98 58.85 2kb5 s VAL 78 Cb -0.12 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.64 2kb5 s VAL 78 CO 0.02 0.00 1.79 -2.16 -0.31 0.00 0.00 175.10 174.44 2kb5 s PRO 79 N -1.32 2.96 0.56 4.82 0.04 -1.26 -2.66 135.00 138.14 2kb5 s PRO 79 Ca 0.03 0.91 0.05 0.00 0.04 0.00 0.00 61.00 62.02 2kb5 s PRO 79 Cb -0.09 -4.29 0.06 0.00 0.04 0.00 0.00 34.50 30.23 2kb5 s PRO 79 CO 0.02 -2.33 0.78 -0.48 0.04 0.00 0.00 177.00 175.03 2kb5 s LEU 80 N 7.98 3.26 -0.02 -3.56 0.05 0.17 -2.96 118.68 123.58 2kb5 s LEU 80 Ca 0.71 -0.43 0.03 0.00 0.05 0.00 0.00 54.13 54.49 2kb5 s LEU 80 Cb -0.16 -2.26 -0.00 0.00 -2.05 0.00 0.00 46.19 41.72 2kb5 s LEU 80 CO 0.26 -1.26 -0.12 -0.22 -0.55 0.00 0.00 176.35 174.45 2kb5 s LEU 81 N -4.72 1.90 -0.17 1.48 1.98 0.15 -2.02 118.68 117.29 2kb5 s LEU 81 Ca 0.60 -0.25 -0.04 0.00 -2.89 0.00 0.00 54.13 51.55 2kb5 s LEU 81 Cb -0.08 -0.70 -0.03 0.00 0.66 0.00 0.00 46.19 46.05 2kb5 s LEU 81 CO 0.39 0.12 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.95 2kb5 s HIS 82 N -0.02 3.03 -0.49 5.38 3.76 -0.55 -0.10 115.29 126.31 2kb5 s HIS 82 Ca -0.00 -0.37 0.05 0.00 -0.15 0.00 0.00 55.06 54.59 2kb5 s HIS 82 Cb -0.08 -2.01 0.19 0.00 1.11 0.00 0.00 32.58 31.78 2kb5 s HIS 82 CO 0.01 -0.12 0.43 0.00 -0.85 0.00 0.00 174.74 174.20 2kb5 s ASP 84 N -0.64 6.75 -0.53 0.00 1.47 -1.20 -3.43 116.67 119.09 2kb5 s ASP 84 Ca 0.32 1.37 -0.27 0.00 1.18 0.00 0.00 52.55 55.15 2kb5 s ASP 84 Cb 0.05 -2.41 -0.01 0.00 -0.34 0.00 0.00 42.92 40.20 2kb5 s ASP 84 CO -0.17 -0.32 1.74 -0.22 0.68 0.00 0.00 175.17 176.89 2kb5 s LEU 85 N -3.30 3.37 0.49 2.11 2.96 -0.50 -0.13 118.68 123.68 2kb5 s LEU 85 Ca 0.56 0.58 0.15 0.00 -0.22 0.00 0.00 54.13 55.20 2kb5 s LEU 85 Cb -0.10 -2.90 1.19 0.00 0.50 0.00 0.00 46.19 44.88 2kb5 s LEU 85 CO 0.20 -2.05 2.09 0.40 -1.32 0.00 0.00 176.35 175.68 2kb5 h ILE 86 N 6.75 0.97 -3.43 6.68 2.04 -1.89 -3.34 117.51 125.30 2kb5 h ILE 86 Ca -0.28 -0.05 -0.75 0.00 1.00 0.00 0.00 64.86 64.78 2kb5 h ILE 86 Cb 1.15 0.81 -0.28 0.00 -0.74 0.00 0.00 36.82 37.76 2kb5 h ILE 86 CO 1.16 0.03 -0.22 0.54 0.00 0.00 0.00 178.15 179.66 2kb5 s ASN 87 N -6.79 6.02 -0.16 1.72 2.20 -1.26 -5.05 114.94 111.62 2kb5 s ASN 87 Ca -0.06 -2.23 -0.29 0.00 -0.94 0.00 0.00 52.86 49.34 2kb5 s ASN 87 Cb 0.18 -2.08 -0.03 0.00 -2.00 0.00 0.00 41.25 37.31 2kb5 s ASN 87 CO 0.70 -0.65 1.56 -2.16 -2.94 0.00 0.00 177.10 173.61 2kb5 s PRO 88 N 0.88 4.00 0.00 3.55 0.04 -1.25 -2.46 135.00 139.76 2kb5 s PRO 88 Ca 0.10 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2kb5 s PRO 88 Cb -0.22 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2kb5 s PRO 88 CO -0.02 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2kb5 n GLY 89 N 4.30 0.56 3.60 0.56 0.00 -1.26 -5.07 105.19 107.87 2kb5 n GLY 89 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 3.55 -0.63 4.61 0.00 -1.03 -4.99 121.76 121.28 2kb5 s ALA 90 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.19 2kb5 s ALA 90 Cb 0.00 -2.82 0.33 0.00 0.00 0.00 0.00 23.12 20.63 2kb5 s ALA 90 CO 0.00 -0.80 1.00 1.04 0.00 0.00 0.00 175.76 177.00 2kb5 n GLN 91 N 5.47 3.36 -3.62 0.00 6.02 -1.26 -4.49 117.38 122.86 2kb5 n GLN 91 Ca -0.07 -4.83 -0.29 0.00 -0.01 0.00 0.00 57.00 51.80 2kb5 n GLN 91 Cb 0.50 -2.26 -0.14 0.00 1.02 0.00 0.00 30.24 29.36 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 -3.20 3.57 0.64 1.08 2.20 -1.26 -4.70 114.94 113.27 2kb5 s ASN 92 Ca 0.47 -1.97 0.29 0.00 -0.94 0.00 0.00 52.86 50.71 2kb5 s ASN 92 Cb 0.26 -0.69 1.58 0.00 -2.00 0.00 0.00 41.25 40.39 2kb5 s ASN 92 CO -0.12 -0.35 1.92 0.16 -2.94 0.00 0.00 177.10 175.76 2kb5 h ILE 93 N 5.77 0.15 -0.16 0.54 3.07 -1.89 0.21 117.51 125.21 2kb5 h ILE 93 Ca -0.06 0.00 -0.21 0.00 1.55 0.00 0.00 64.86 66.14 2kb5 h ILE 93 Cb 0.98 0.66 0.01 0.00 -0.27 0.00 0.00 36.82 38.20 2kb5 h ILE 93 CO 0.41 0.00 -0.72 -1.28 -1.05 0.00 0.00 178.15 175.51 2kb5 h SER 94 N 0.00 0.84 -1.25 2.16 0.87 -1.98 -3.33 113.55 110.86 2kb5 h SER 94 Ca 0.07 -0.53 -0.51 0.00 -1.23 0.00 0.00 61.79 59.59 2kb5 h SER 94 Cb 0.82 -0.25 -0.41 0.00 -0.44 0.00 0.00 62.40 62.11 2kb5 h SER 94 CO -0.00 1.32 -0.88 -3.20 -0.53 0.00 0.00 176.83 173.54 2kb5 n ASN 95 N -3.93 3.74 -4.90 6.23 2.85 0.54 -5.07 115.26 114.73 2kb5 n ASN 95 Ca -0.06 -3.38 -0.24 0.00 -0.11 0.00 0.00 54.58 50.79 2kb5 n ASN 95 Cb 0.72 -0.47 -0.04 0.00 1.24 0.00 0.00 39.78 41.23 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kb5 s ARG 97 N -3.49 0.81 -0.03 0.00 0.52 -1.26 -4.85 118.95 110.66 2kb5 s ARG 97 Ca 0.33 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2kb5 s ARG 97 Cb -0.10 -0.63 0.02 0.00 0.52 0.00 0.00 34.95 34.76 2kb5 s ARG 97 CO 0.27 0.12 -0.03 0.71 0.02 0.00 0.00 175.30 176.38 2kb5 s TYR 98 N -1.92 0.50 -0.38 -0.53 2.02 -1.26 -3.15 117.35 112.63 2kb5 s TYR 98 Ca 0.01 -0.10 -0.28 0.00 -0.37 0.00 0.00 57.07 56.34 2kb5 s TYR 98 Cb -0.06 -0.46 0.02 0.00 -0.40 0.00 0.00 41.96 41.06 2kb5 s TYR 98 CO 0.01 -0.11 1.05 0.00 -1.57 0.00 0.00 175.55 174.93 2kb5 s ALA 99 N 0.63 3.38 -0.09 3.71 0.00 0.81 -4.76 121.76 125.44 2kb5 s ALA 99 Ca -0.07 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2kb5 s ALA 99 Cb -0.10 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 2kb5 s ALA 99 CO -0.01 -1.73 0.99 0.16 0.00 0.00 0.00 175.76 175.17 2kb5 s ASP 100 N 1.94 7.25 -0.26 0.00 -4.77 -1.25 -3.25 116.67 116.33 2kb5 s ASP 100 Ca 0.44 1.53 -0.01 0.00 -3.30 0.00 0.00 52.55 51.22 2kb5 s ASP 100 Cb -0.11 -2.55 0.14 0.00 -1.09 0.00 0.00 42.92 39.31 2kb5 s ASP 100 CO 0.21 -0.41 0.36 -0.60 0.70 0.00 0.00 175.17 175.42 2kb5 s ARG 101 N 1.83 0.35 0.52 2.11 6.06 -0.69 -4.97 118.95 124.15 2kb5 s ARG 101 Ca 0.48 0.24 -0.21 0.00 -2.50 0.00 0.00 55.73 53.75 2kb5 s ARG 101 Cb -0.19 -0.53 -0.06 0.00 0.06 0.00 0.00 34.95 34.24 2kb5 s ARG 101 CO 0.19 -0.84 1.14 -1.25 -2.50 0.00 0.00 175.30 172.04 2kb5 s PRO 102 N 2.49 3.48 0.18 5.12 0.04 -1.26 -1.48 135.00 143.58 2kb5 s PRO 102 Ca 0.11 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 62.59 2kb5 s PRO 102 Cb -0.14 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.31 2kb5 s PRO 102 CO -0.23 -0.76 0.66 0.20 0.04 0.00 0.00 177.00 176.91 2kb5 s GLY 103 N -1.62 -0.44 -0.21 0.56 0.00 -0.85 -4.94 107.32 99.81 2kb5 s GLY 103 Ca 0.70 0.28 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 2kb5 s GLY 103 CO 0.30 0.09 0.07 -1.60 0.00 0.00 0.00 173.10 171.96 2kb5 s ARG 104 N -3.74 0.45 0.18 2.90 3.52 -1.26 0.43 118.95 121.42 2kb5 s ARG 104 Ca 0.05 -0.40 -0.13 0.00 -0.13 0.00 0.00 55.73 55.12 2kb5 s ARG 104 Cb -0.02 -1.93 0.05 0.00 -1.56 0.00 0.00 34.95 31.48 2kb5 s ARG 104 CO -0.06 -0.72 0.64 0.54 -0.81 0.00 0.00 175.30 174.89 2kb5 n ARG 105 N 5.12 0.58 -0.99 5.12 1.74 -1.09 -4.86 116.66 122.28 2kb5 n ARG 105 Ca -0.08 -1.22 -0.14 0.00 -0.77 0.00 0.00 57.85 55.64 2kb5 n ARG 105 Cb 0.47 1.59 0.10 0.00 -1.02 0.00 0.00 32.46 33.59 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 -0.44 -3.93 -3.70 -1.55 3.72 -1.24 -2.70 117.46 107.62 2kb5 n PHE 106 Ca -0.03 -0.60 -0.11 0.00 -0.05 0.00 0.00 57.45 56.65 2kb5 n PHE 106 Cb 0.40 -0.49 -0.10 0.00 -0.94 0.00 0.00 39.48 38.35 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 -2.35 -0.62 -0.49 1.38 -0.85 -1.26 -1.66 117.35 111.50 2kb5 s TYR 107 Ca 0.37 1.37 -0.16 0.00 -0.52 0.00 0.00 57.07 58.13 2kb5 s TYR 107 Cb -0.01 0.27 0.09 0.00 0.38 0.00 0.00 41.96 42.69 2kb5 s TYR 107 CO 0.26 -0.33 0.44 0.08 -1.52 0.00 0.00 175.55 174.48 2kb5 s VAL 108 N 0.99 5.20 0.11 -3.49 1.01 0.29 -3.49 120.40 121.02 2kb5 s VAL 108 Ca -0.06 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 60.86 2kb5 s VAL 108 Cb -0.06 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2kb5 s VAL 108 CO -0.08 -0.68 -0.12 -0.69 0.00 0.00 0.00 175.10 173.52 2kb5 s VAL 109 N 1.72 3.21 -0.42 2.92 1.01 -1.21 0.03 120.40 127.64 2kb5 s VAL 109 Ca 0.05 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 2kb5 s VAL 109 Cb -0.25 -2.49 0.11 0.00 0.00 0.00 0.00 36.38 33.74 2kb5 s VAL 109 CO 0.06 0.10 0.24 0.00 0.00 0.00 0.00 175.10 175.50 2kb5 s ALA 110 N -1.20 3.22 0.19 5.51 0.00 0.44 -2.58 121.76 127.34 2kb5 s ALA 110 Ca 0.20 -2.52 -0.14 0.00 0.00 0.00 0.00 51.96 49.50 2kb5 s ALA 110 Cb -0.11 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 2kb5 s ALA 110 CO 0.13 -1.82 0.58 0.00 0.00 0.00 0.00 175.76 174.65 2kb5 s ASP 112 N -1.91 -0.08 -0.79 0.00 2.15 -0.34 -4.83 116.67 110.87 2kb5 s ASP 112 Ca 0.42 -0.05 -0.23 0.00 0.43 0.00 0.00 52.55 53.12 2kb5 s ASP 112 Cb -0.14 0.26 -0.17 0.00 -0.30 0.00 0.00 42.92 42.57 2kb5 s ASP 112 CO 0.20 -0.39 2.39 0.59 -0.17 0.00 0.00 175.17 177.79 2kb5 n ASN 113 N 1.45 1.08 -4.72 -0.34 3.02 -1.26 -2.64 115.26 111.85 2kb5 n ASN 113 Ca -0.22 -0.93 -0.23 0.00 -0.03 0.00 0.00 54.58 53.17 2kb5 n ASN 113 Cb 0.56 -1.34 0.10 0.00 -0.61 0.00 0.00 39.78 38.49 2kb5 n ASN 113 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2kb5 s ARG 114 N 8.40 1.80 0.24 3.52 1.81 -1.18 -5.00 118.95 128.54 2kb5 s ARG 114 Ca 1.06 -1.02 -0.30 0.00 -1.72 0.00 0.00 55.73 53.75 2kb5 s ARG 114 Cb -0.40 -2.34 -0.15 0.00 -0.45 0.00 0.00 34.95 31.62 2kb5 s ARG 114 CO 0.26 -1.35 1.07 -3.47 -0.68 0.00 0.00 175.30 171.13 2kb5 n ASP 115 N -2.78 1.33 0.00 0.23 -0.08 -1.26 -4.81 116.55 109.18 2kb5 n ASP 115 Ca 0.14 1.16 0.05 0.00 -1.51 0.00 0.00 54.79 54.63 2kb5 n ASP 115 Cb 0.60 -1.26 0.32 0.00 2.34 0.00 0.00 41.12 43.13 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 1.19 0.49 -0.00 -0.67 -0.04 -1.26 -2.08 135.00 132.62 2kb5 n PRO 116 Ca 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2kb5 n PRO 116 Cb 0.29 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.85 0.65 -0.03 0.54 1.85 -1.26 -4.18 116.66 113.38 2kb5 n ARG 117 Ca 0.08 -0.08 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 2kb5 n ARG 117 Cb 0.04 -1.59 -0.13 0.00 -1.05 0.00 0.00 32.46 29.72 2kb5 n ARG 117 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2kb5 h ASP 118 N 0.00 0.16 -3.09 2.89 3.32 -1.78 -3.43 116.42 114.49 2kb5 h ASP 118 Ca -0.10 -0.93 -0.58 0.00 0.02 0.00 0.00 57.03 55.44 2kb5 h ASP 118 Cb 1.25 -0.05 -0.40 0.00 0.22 0.00 0.00 39.33 40.35 2kb5 h ASP 118 CO 0.01 1.08 -0.76 -0.55 -1.72 0.00 0.00 179.24 177.29 2kb5 s SER 119 N -6.41 3.89 -0.02 6.45 0.15 -1.24 -4.91 113.70 111.61 2kb5 s SER 119 Ca -0.17 -1.66 -0.25 0.00 0.70 0.00 0.00 55.95 54.57 2kb5 s SER 119 Cb -0.01 -0.77 -0.19 0.00 -1.71 0.00 0.00 66.02 63.33 2kb5 s SER 119 CO 0.73 -0.41 1.21 1.55 1.20 0.00 0.00 173.24 177.53 2kb5 h PRO 120 N 8.03 -0.08 -0.60 5.44 0.13 -1.85 -3.26 132.00 139.81 2kb5 h PRO 120 Ca -0.13 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.94 2kb5 h PRO 120 Cb 1.01 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 2kb5 h PRO 120 CO 0.46 0.38 0.12 0.07 -0.23 0.00 0.00 178.00 178.80 2kb5 h ARG 121 N -0.57 0.94 -5.08 0.86 -0.00 -1.95 -3.41 114.38 105.18 2kb5 h ARG 121 Ca -0.01 -0.22 -0.66 0.00 -0.00 0.00 0.00 59.98 59.10 2kb5 h ARG 121 Cb 0.50 -0.13 -0.27 0.00 -0.00 0.00 0.00 29.97 30.07 2kb5 h ARG 121 CO 0.01 0.85 -0.72 0.71 -0.00 0.00 0.00 179.97 180.82 2kb5 s TYR 122 N -5.21 2.94 0.29 4.08 2.02 -1.23 -4.99 117.35 115.25 2kb5 s TYR 122 Ca -0.11 -0.83 0.16 0.00 -0.37 0.00 0.00 57.07 55.93 2kb5 s TYR 122 Cb 0.15 -2.05 0.70 0.00 -0.40 0.00 0.00 41.96 40.37 2kb5 s TYR 122 CO 0.82 -0.44 1.78 -1.00 -1.57 0.00 0.00 175.55 175.13 2kb5 h PRO 123 N 7.74 0.00 -6.46 -1.71 0.13 -1.80 -3.40 132.00 126.50 2kb5 h PRO 123 Ca -0.38 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.12 2kb5 h PRO 123 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 2kb5 h PRO 123 CO 0.60 0.40 -0.73 0.54 -0.23 0.00 0.00 178.00 178.58 2kb5 s VAL 124 N -3.88 3.12 0.01 1.56 0.11 -1.26 -3.08 120.40 116.99 2kb5 s VAL 124 Ca -0.02 -1.68 -0.15 0.00 -2.93 0.00 0.00 61.98 57.21 2kb5 s VAL 124 Cb 0.13 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.46 2kb5 s VAL 124 CO 0.71 -0.10 0.31 0.68 -3.33 0.00 0.00 175.10 173.37 2kb5 s VAL 125 N -1.68 0.07 0.18 2.04 -7.23 -1.08 -4.88 120.40 107.81 2kb5 s VAL 125 Ca 0.24 -0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 59.54 2kb5 s VAL 125 Cb -0.09 -0.78 -0.08 0.00 0.56 0.00 0.00 36.38 35.99 2kb5 s VAL 125 CO 0.15 -0.31 1.32 -2.16 -0.31 0.00 0.00 175.10 173.79 2kb5 s PRO 126 N -1.93 4.37 -0.01 4.82 0.04 -1.26 -1.20 135.00 139.84 2kb5 s PRO 126 Ca -0.09 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2kb5 s PRO 126 Cb -0.03 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2kb5 s PRO 126 CO 0.01 -0.29 0.69 1.33 0.04 0.00 0.00 177.00 178.77 2kb5 n VAL 127 N 2.96 0.29 -3.64 -0.36 0.24 -0.82 -4.44 118.33 112.56 2kb5 n VAL 127 Ca 0.07 -0.31 -0.08 0.00 -2.04 0.00 0.00 64.34 61.99 2kb5 n VAL 127 Cb 0.43 0.78 -0.07 0.00 -1.47 0.00 0.00 33.84 33.51 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 -0.33 -0.66 -0.23 6.34 5.65 -1.24 -4.99 115.29 119.83 2kb5 s HIS 128 Ca 0.01 1.47 0.01 0.00 0.25 0.00 0.00 55.06 56.80 2kb5 s HIS 128 Cb 0.01 0.39 0.04 0.00 -1.18 0.00 0.00 32.58 31.84 2kb5 s HIS 128 CO 0.00 -0.32 -0.12 -1.17 -0.65 0.00 0.00 174.74 172.48 2kb5 s LEU 129 N 0.76 3.00 -0.02 8.88 1.98 -1.26 -0.42 118.68 131.60 2kb5 s LEU 129 Ca -0.03 -1.02 -0.19 0.00 -2.89 0.00 0.00 54.13 50.01 2kb5 s LEU 129 Cb -0.05 -1.57 -0.11 0.00 0.66 0.00 0.00 46.19 45.13 2kb5 s LEU 129 CO -0.09 -0.12 0.79 -0.78 -1.89 0.00 0.00 176.35 174.26 2kb5 h ASP 130 N 7.90 -0.55 -1.41 3.68 1.82 -0.78 -3.49 116.42 123.59 2kb5 h ASP 130 Ca -0.31 -0.00 0.13 0.00 -0.39 0.00 0.00 57.03 56.46 2kb5 h ASP 130 Cb 1.09 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 2kb5 h ASP 130 CO 0.55 -0.13 0.40 1.07 -1.61 0.00 0.00 179.24 179.52 2kb5 n THR 131 N -5.21 0.00 -3.88 2.25 5.66 -1.24 -5.00 114.28 106.86 2kb5 n THR 131 Ca -0.08 -0.19 -0.29 0.00 -3.05 0.00 0.00 64.05 60.44 2kb5 n THR 131 Cb 0.27 0.36 -0.16 0.00 -1.55 0.00 0.00 70.33 69.24 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 -2.19 1.18 0.00 1.09 -4.23 -1.26 -0.55 115.64 109.68 2kb5 s THR 132 Ca 0.14 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2kb5 s THR 132 Cb -0.01 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.37 2kb5 s THR 132 CO 0.01 -0.05 0.19 -0.38 -0.54 0.00 0.00 174.62 173.85