#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb5 s PRO 2 N 0.00 0.39 0.21 -0.14 0.04 -1.26 -4.97 135.00 129.27 2kb5 s PRO 2 Ca 0.00 0.51 -0.02 0.00 0.04 0.00 0.00 61.00 61.53 2kb5 s PRO 2 Cb 0.00 -1.73 0.18 0.00 0.04 0.00 0.00 34.50 32.99 2kb5 s PRO 2 CO 0.00 -2.76 1.57 -1.00 0.04 0.00 0.00 177.00 174.85 2kb5 h PRO 3 N -1.91 0.58 -0.77 0.56 0.13 -1.99 -3.02 132.00 125.58 2kb5 h PRO 3 Ca -0.55 -0.31 0.22 0.00 -0.87 0.00 0.00 66.00 64.50 2kb5 h PRO 3 Cb 1.33 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 2kb5 h PRO 3 CO 0.57 0.90 0.57 0.37 -0.23 0.00 0.00 178.00 180.18 2kb5 h GLN 4 N 0.47 0.00 -4.83 0.86 4.15 -2.06 -3.36 115.11 110.35 2kb5 h GLN 4 Ca 0.04 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 58.82 2kb5 h GLN 4 Cb 0.94 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.27 2kb5 h GLN 4 CO 0.08 0.00 -0.84 -0.06 -1.93 0.00 0.00 178.83 176.09 2kb5 s PHE 5 N -4.95 2.54 0.56 3.99 0.08 -1.14 -5.06 117.98 114.00 2kb5 s PHE 5 Ca -0.05 -1.54 -0.08 0.00 0.12 0.00 0.00 56.93 55.38 2kb5 s PHE 5 Cb 0.20 -1.76 0.13 0.00 -0.57 0.00 0.00 43.02 41.02 2kb5 s PHE 5 CO 0.74 -0.75 0.29 0.25 -0.10 0.00 0.00 175.22 175.65 2kb5 n THR 6 N 4.67 0.00 0.10 0.64 -2.24 -1.26 -4.47 114.28 111.71 2kb5 n THR 6 Ca -0.18 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 2kb5 n THR 6 Cb 0.49 -0.33 0.08 0.00 -2.10 0.00 0.00 70.33 68.47 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 0.15 0.00 -0.78 2.47 -1.96 -2.91 114.38 111.35 2kb5 h ARG 7 Ca -0.13 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 2kb5 h ARG 7 Cb 0.45 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2kb5 h ARG 7 CO 0.08 0.80 -0.27 0.00 0.56 0.00 0.00 179.97 181.13 2kb5 n ALA 8 N -2.45 0.24 -0.44 0.04 0.00 -1.26 -3.03 120.51 113.61 2kb5 n ALA 8 Ca -0.02 -0.28 0.41 0.00 0.00 0.00 0.00 53.44 53.54 2kb5 n ALA 8 Cb 0.69 0.01 0.75 0.00 0.00 0.00 0.00 19.45 20.90 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 -0.54 0.00 0.00 0.00 -0.00 -1.88 1.68 115.11 114.37 2kb5 h GLN 9 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.43 2kb5 h GLN 9 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.72 2kb5 h GLN 9 CO 0.00 0.00 -1.24 2.35 -0.00 0.00 0.00 178.83 179.94 2kb5 h TRP 10 N 0.00 0.00 -0.03 0.06 -0.00 -1.69 -3.23 115.95 111.06 2kb5 h TRP 10 Ca 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.57 2kb5 h TRP 10 Cb 2.86 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 32.02 2kb5 h TRP 10 CO 0.00 0.87 0.02 0.35 -0.00 0.00 0.00 178.44 179.67 2kb5 h PHE 11 N 0.00 0.04 0.00 2.65 3.04 0.26 -2.60 116.94 120.33 2kb5 h PHE 11 Ca -0.13 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.76 2kb5 h PHE 11 Cb 1.78 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.26 2kb5 h PHE 11 CO 0.00 0.11 -0.28 0.00 -2.02 0.00 0.00 178.31 176.12 2kb5 h ALA 12 N 0.92 1.41 -0.98 2.41 0.00 -1.59 0.48 119.26 121.91 2kb5 h ALA 12 Ca 0.01 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.79 2kb5 h ALA 12 Cb 0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 2kb5 h ALA 12 CO -0.00 0.36 0.62 0.82 0.00 0.00 0.00 179.25 181.04 2kb5 h ILE 13 N 0.00 0.89 0.00 0.00 1.08 -1.48 3.24 117.51 121.24 2kb5 h ILE 13 Ca -0.00 -0.32 -0.30 0.00 -0.39 0.00 0.00 64.86 63.86 2kb5 h ILE 13 Cb 0.54 -0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.13 2kb5 h ILE 13 CO 0.04 0.17 -2.11 0.00 -0.69 0.00 0.00 178.15 175.55 2kb5 n GLN 14 N -4.61 1.15 0.00 2.37 3.00 -1.07 -4.40 117.38 113.82 2kb5 n GLN 14 Ca 0.19 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.34 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 -2.73 0.00 -3.87 1.08 8.25 0.17 -4.00 115.22 114.12 2kb5 n HIS 15 Ca -0.29 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.05 2kb5 n HIS 15 Cb 0.98 -0.07 -0.13 0.00 1.12 0.00 0.00 29.99 31.89 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 -2.30 0.01 -0.30 1.59 1.01 1.08 -1.97 121.20 120.32 2kb5 s ILE 16 Ca 0.30 -0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 2kb5 s ILE 16 Cb 0.20 -0.10 0.18 0.00 0.01 0.00 0.00 42.46 42.75 2kb5 s ILE 16 CO 0.45 -0.06 0.95 -0.44 0.00 0.00 0.00 174.94 175.83 2kb5 s SER 17 N -0.17 -0.68 0.06 3.58 0.01 -0.31 -4.17 113.70 112.01 2kb5 s SER 17 Ca -0.02 0.29 -0.30 0.00 1.31 0.00 0.00 55.95 57.23 2kb5 s SER 17 Cb -0.02 1.51 -0.18 0.00 0.21 0.00 0.00 66.02 67.55 2kb5 s SER 17 CO 0.00 -0.13 1.55 -0.07 0.41 0.00 0.00 173.24 175.00 2kb5 h LEU 18 N 7.80 -0.59 -5.93 2.44 3.38 -1.75 -3.30 115.31 117.36 2kb5 h LEU 18 Ca -0.12 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.29 2kb5 h LEU 18 Cb 1.17 0.15 -0.40 0.00 0.09 0.00 0.00 40.66 41.68 2kb5 h LEU 18 CO -0.03 -0.37 -1.02 -0.46 0.09 0.00 0.00 178.44 176.65 2kb5 n ASN 19 N -5.36 1.42 -4.77 -0.43 0.23 -1.26 -4.77 115.26 100.32 2kb5 n ASN 19 Ca -0.12 -3.03 -0.37 0.00 -0.53 0.00 0.00 54.58 50.53 2kb5 n ASN 19 Cb 0.30 -0.63 -0.01 0.00 -2.08 0.00 0.00 39.78 37.37 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 -2.11 3.80 0.00 -0.53 0.04 -1.26 -5.05 135.00 129.88 2kb5 s PRO 20 Ca 0.39 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2kb5 s PRO 20 Cb 0.25 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2kb5 s PRO 20 CO -0.09 -0.53 0.00 -0.35 0.04 0.00 0.00 177.00 176.07 2kb5 n PRO 21 N -0.41 0.89 -1.92 0.56 -0.04 -1.26 -4.94 135.00 127.87 2kb5 n PRO 21 Ca 0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.12 2kb5 n PRO 21 Cb 0.48 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.17 4.20 0.61 0.54 1.81 -1.26 -4.45 118.95 120.23 2kb5 s ARG 22 Ca 0.00 2.44 0.26 0.00 -1.72 0.00 0.00 55.73 56.71 2kb5 s ARG 22 Cb 0.00 -3.01 0.99 0.00 -0.45 0.00 0.00 34.95 32.47 2kb5 s ARG 22 CO 0.00 -0.41 1.40 0.00 -0.68 0.00 0.00 175.30 175.60 2kb5 h THR 24 N 0.00 1.56 0.00 0.00 2.02 -1.87 -3.23 112.91 111.39 2kb5 h THR 24 Ca 0.42 -2.37 -0.02 0.00 0.77 0.00 0.00 66.41 65.21 2kb5 h THR 24 Cb 2.57 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 72.08 2kb5 h THR 24 CO -0.00 0.66 -0.08 0.40 0.37 0.00 0.00 175.52 176.86 2kb5 h ILE 25 N -0.46 1.65 -1.09 3.11 2.04 0.43 -3.29 117.51 119.90 2kb5 h ILE 25 Ca -0.09 -2.02 0.32 0.00 1.00 0.00 0.00 64.86 64.06 2kb5 h ILE 25 Cb 1.41 3.00 -0.12 0.00 -0.74 0.00 0.00 36.82 40.37 2kb5 h ILE 25 CO 0.11 0.53 0.67 0.00 0.00 0.00 0.00 178.15 179.47 2kb5 h ALA 26 N 0.16 2.22 -0.11 1.87 0.00 -0.38 1.42 119.26 124.44 2kb5 h ALA 26 Ca -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2kb5 h ALA 26 Cb 0.92 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kb5 h ALA 26 CO 0.02 -0.75 0.02 0.00 0.00 0.00 0.00 179.25 178.54 2kb5 n MET 27 N -4.80 1.55 0.00 0.00 0.00 -1.22 -4.04 117.12 108.62 2kb5 n MET 27 Ca 0.30 -0.50 0.00 0.00 0.00 0.00 0.00 57.70 57.50 2kb5 n MET 27 Cb 1.02 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.70 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 0.13 0.00 0.23 3.17 5.12 0.49 -3.35 116.66 122.45 2kb5 n ARG 28 Ca 0.05 0.09 0.07 0.00 -1.93 0.00 0.00 57.85 56.13 2kb5 n ARG 28 Cb 0.46 -0.55 0.55 0.00 -1.16 0.00 0.00 32.46 31.76 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kb5 h ALA 29 N -2.00 1.69 -0.56 7.54 0.00 -1.75 -2.84 119.26 121.35 2kb5 h ALA 29 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kb5 h ALA 29 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kb5 h ALA 29 CO 0.00 0.18 0.00 -0.89 0.00 0.00 0.00 179.25 178.54 2kb5 n ILE 30 N -4.27 0.00 0.31 0.00 -0.00 -1.26 -2.71 119.36 111.42 2kb5 n ILE 30 Ca -0.02 1.23 0.09 0.00 -0.00 0.00 0.00 62.75 64.04 2kb5 n ILE 30 Cb 0.22 -2.20 0.47 0.00 -0.00 0.00 0.00 39.64 38.13 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 -1.59 0.24 115.58 120.96 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 0.33 -1.13 -1.65 0.00 0.00 177.43 174.98 2kb5 h ASN 32 N 0.00 0.00 0.31 5.81 -0.73 -1.29 0.23 115.58 119.90 2kb5 h ASN 32 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2kb5 h ASN 32 Cb 1.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.72 2kb5 h ASN 32 CO 0.00 0.00 0.00 0.10 -0.37 0.00 0.00 177.43 177.16 2kb5 h TYR 33 N 0.00 0.00 -3.39 0.67 -0.00 -1.11 -3.45 116.97 109.69 2kb5 h TYR 33 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.58 2kb5 h TYR 33 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.37 2kb5 h TYR 33 CO 0.00 0.00 0.02 0.54 -0.00 0.00 0.00 178.16 178.72 2kb5 n ARG 34 N -2.43 0.77 -0.54 0.10 1.74 0.80 -3.75 116.66 113.34 2kb5 n ARG 34 Ca -0.00 -2.24 0.08 0.00 -0.77 0.00 0.00 57.85 54.92 2kb5 n ARG 34 Cb 0.12 2.39 0.29 0.00 -1.02 0.00 0.00 32.46 34.24 2kb5 n ARG 34 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2kb5 n TRP 35 N -0.49 1.22 -4.10 -1.55 7.02 -1.26 -4.95 117.44 113.33 2kb5 n TRP 35 Ca -0.03 -0.77 -0.13 0.00 -1.02 0.00 0.00 57.50 55.55 2kb5 n TRP 35 Cb 0.52 -0.32 -0.11 0.00 -2.42 0.00 0.00 31.31 28.97 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 -2.51 0.64 0.35 -0.99 3.00 -1.26 -4.69 118.95 113.48 2kb5 s ARG 36 Ca 0.44 -0.91 -0.13 0.00 -1.00 0.00 0.00 55.73 54.14 2kb5 s ARG 36 Cb 0.34 -0.35 -0.08 0.00 0.00 0.00 0.00 34.95 34.85 2kb5 s ARG 36 CO 0.13 0.06 0.73 0.00 0.00 0.00 0.00 175.30 176.22 2kb5 s LYS 38 N -3.30 3.59 0.14 0.00 2.36 -1.26 -4.93 119.74 116.34 2kb5 s LYS 38 Ca 0.52 -0.16 -0.18 0.00 -2.55 0.00 0.00 55.97 53.61 2kb5 s LYS 38 Cb -0.10 -2.81 0.03 0.00 -1.05 0.00 0.00 37.83 33.89 2kb5 s LYS 38 CO 0.23 0.41 1.73 -0.91 1.55 0.00 0.00 175.35 178.36 2kb5 h ASN 39 N 2.38 0.02 -3.44 1.43 4.21 -1.95 -3.42 115.58 114.81 2kb5 h ASN 39 Ca -0.47 0.05 -0.24 0.00 1.21 0.00 0.00 56.30 56.85 2kb5 h ASN 39 Cb 1.18 0.06 -0.06 0.00 -1.12 0.00 0.00 38.32 38.37 2kb5 h ASN 39 CO 0.70 0.05 -0.23 0.00 -1.29 0.00 0.00 177.43 176.66 2kb5 n GLN 40 N -5.08 0.22 -3.26 0.81 6.02 -1.26 -0.40 117.38 114.42 2kb5 n GLN 40 Ca -0.00 -1.70 0.03 0.00 -0.01 0.00 0.00 57.00 55.32 2kb5 n GLN 40 Cb 0.13 1.40 -0.04 0.00 1.02 0.00 0.00 30.24 32.75 2kb5 n GLN 40 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2kb5 s ASN 41 N -2.19 -0.28 -0.12 1.08 3.04 -0.52 -4.91 114.94 111.05 2kb5 s ASN 41 Ca 0.20 0.37 -0.00 0.00 0.04 0.00 0.00 52.86 53.47 2kb5 s ASN 41 Cb 0.01 1.31 -0.02 0.00 -1.54 0.00 0.00 41.25 41.01 2kb5 s ASN 41 CO 0.14 -0.05 -0.10 -0.89 -3.04 0.00 0.00 177.10 173.16 2kb5 s THR 42 N 2.25 3.40 -0.20 -5.21 2.01 -1.26 0.06 115.64 116.69 2kb5 s THR 42 Ca -0.01 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.44 2kb5 s THR 42 Cb -0.03 -2.43 0.05 0.00 0.01 0.00 0.00 72.50 70.10 2kb5 s THR 42 CO -0.16 0.54 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.90 2kb5 s PHE 43 N 0.00 1.99 0.02 4.92 0.40 0.10 -3.86 117.98 121.56 2kb5 s PHE 43 Ca -0.02 -1.41 -0.30 0.00 -0.60 0.00 0.00 56.93 54.60 2kb5 s PHE 43 Cb -0.14 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 2kb5 s PHE 43 CO 0.04 -0.70 1.03 -0.51 0.70 0.00 0.00 175.22 175.77 2kb5 s LEU 44 N 1.53 4.38 -1.19 -0.37 1.43 -0.83 0.39 118.68 124.01 2kb5 s LEU 44 Ca -0.03 1.75 -0.21 0.00 -1.03 0.00 0.00 54.13 54.62 2kb5 s LEU 44 Cb -0.17 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2kb5 s LEU 44 CO -0.07 -0.30 1.89 0.54 0.23 0.00 0.00 176.35 178.64 2kb5 n ARG 45 N 3.85 2.18 -3.52 1.70 1.74 0.21 -1.17 116.66 121.66 2kb5 n ARG 45 Ca 0.06 -2.67 -0.09 0.00 -0.77 0.00 0.00 57.85 54.39 2kb5 n ARG 45 Cb 0.50 -3.54 -0.02 0.00 -1.02 0.00 0.00 32.46 28.38 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 7.67 0.00 0.49 0.55 -1.32 -1.26 -4.72 115.64 117.05 2kb5 s THR 46 Ca 0.61 -0.08 -0.08 0.00 -1.21 0.00 0.00 61.69 60.94 2kb5 s THR 46 Cb 0.04 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 2kb5 s THR 46 CO 0.10 0.00 0.82 0.42 -2.21 0.00 0.00 174.62 173.76 2kb5 s THR 47 N -3.25 4.84 0.28 5.08 -4.23 -1.26 -4.21 115.64 112.88 2kb5 s THR 47 Ca 0.05 0.43 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2kb5 s THR 47 Cb -0.01 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.26 2kb5 s THR 47 CO -0.08 -0.82 1.76 0.15 -0.54 0.00 0.00 174.62 175.09 2kb5 h PHE 48 N 0.40 0.84 -0.26 3.99 3.04 -1.98 -1.50 116.94 121.46 2kb5 h PHE 48 Ca -0.47 0.04 0.06 0.00 3.98 0.00 0.00 57.97 61.58 2kb5 h PHE 48 Cb 1.20 -0.24 -0.07 0.00 2.56 0.00 0.00 35.95 39.40 2kb5 h PHE 48 CO 0.60 0.17 -0.19 0.00 -2.02 0.00 0.00 178.31 176.87 2kb5 h ALA 49 N 1.60 -0.03 -0.03 2.41 0.00 -1.99 0.30 119.26 121.53 2kb5 h ALA 49 Ca 0.51 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.51 2kb5 h ALA 49 Cb 0.77 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kb5 h ALA 49 CO -0.39 -0.61 0.19 -0.91 0.00 0.00 0.00 179.25 177.53 2kb5 h ASN 50 N -0.18 0.00 0.00 0.00 2.35 -1.66 -1.81 115.58 114.28 2kb5 h ASN 50 Ca 0.14 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.71 2kb5 h ASN 50 Cb 0.40 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 2kb5 h ASN 50 CO -0.37 0.00 -1.05 0.58 -1.65 0.00 0.00 177.43 174.94 2kb5 h VAL 51 N 0.00 0.94 -0.56 2.81 2.07 -0.42 -3.35 116.25 117.74 2kb5 h VAL 51 Ca 0.01 -2.10 0.16 0.00 0.82 0.00 0.00 66.70 65.59 2kb5 h VAL 51 Cb 0.38 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2kb5 h VAL 51 CO -0.00 0.32 0.42 0.58 0.02 0.00 0.00 177.57 178.91 2kb5 h VAL 52 N -1.00 0.65 0.00 2.57 2.07 -0.09 0.28 116.25 120.73 2kb5 h VAL 52 Ca -0.28 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 2kb5 h VAL 52 Cb 1.20 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2kb5 h VAL 52 CO -0.17 0.00 -0.45 -1.13 0.02 0.00 0.00 177.57 175.84 2kb5 h ASN 53 N 0.00 0.00 0.26 0.57 -1.24 -1.50 -2.83 115.58 110.84 2kb5 h ASN 53 Ca 0.27 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.22 2kb5 h ASN 53 Cb 1.11 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.15 2kb5 h ASN 53 CO -0.00 0.45 -0.27 0.58 -1.29 0.00 0.00 177.43 176.90 2kb5 h VAL 54 N 0.00 1.20 -0.08 2.57 2.07 -0.55 -2.42 116.25 119.04 2kb5 h VAL 54 Ca -0.00 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 2kb5 h VAL 54 Cb 0.85 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2kb5 h VAL 54 CO 0.06 0.28 -0.08 0.00 0.02 0.00 0.00 177.57 177.85 2kb5 n GLY 56 N -1.16 1.85 3.75 0.00 0.00 -0.91 -4.85 105.19 103.87 2kb5 n GLY 56 Ca -0.02 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.14 4.78 -0.51 1.61 0.01 -0.61 -5.02 114.94 115.07 2kb5 s ASN 57 Ca 0.12 -0.73 -0.37 0.00 -0.71 0.00 0.00 52.86 51.17 2kb5 s ASN 57 Cb 0.09 -0.77 -0.15 0.00 0.41 0.00 0.00 41.25 40.83 2kb5 s ASN 57 CO 0.03 -0.31 2.27 1.67 -1.51 0.00 0.00 177.10 179.25 2kb5 n GLN 58 N -1.19 0.56 -1.18 -0.60 -0.06 -1.26 -4.88 117.38 108.77 2kb5 n GLN 58 Ca -0.03 0.13 -0.31 0.00 -2.00 0.00 0.00 57.00 54.79 2kb5 n GLN 58 Cb 0.61 -2.08 0.11 0.00 -4.06 0.00 0.00 30.24 24.82 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 4.16 0.29 1.69 1.04 -1.26 -4.60 113.70 122.53 2kb5 s SER 59 Ca 1.16 1.96 0.04 0.00 0.48 0.00 0.00 55.95 59.59 2kb5 s SER 59 Cb -1.08 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 62.49 2kb5 s SER 59 CO 0.53 -2.27 0.30 2.30 0.98 0.00 0.00 173.24 175.08 2kb5 n ILE 60 N -3.54 0.00 -3.57 -1.02 -5.35 -0.96 -5.01 119.36 99.92 2kb5 n ILE 60 Ca 0.10 -1.89 -0.38 0.00 -0.27 0.00 0.00 62.75 60.32 2kb5 n ILE 60 Cb 0.52 1.00 -0.10 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 -2.99 4.02 0.52 6.28 3.03 -1.26 -4.17 118.95 124.37 2kb5 s ARG 61 Ca 0.31 -0.21 -0.22 0.00 2.03 0.00 0.00 55.73 57.64 2kb5 s ARG 61 Cb 0.01 -3.61 -0.05 0.00 -1.03 0.00 0.00 34.95 30.26 2kb5 s ARG 61 CO 0.22 -0.10 1.29 0.00 -1.13 0.00 0.00 175.30 175.57 2kb5 h PRO 63 N 1.58 0.92 0.00 0.00 0.13 -1.97 -2.83 132.00 129.82 2kb5 h PRO 63 Ca -0.50 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.14 2kb5 h PRO 63 Cb 1.28 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kb5 h PRO 63 CO 0.58 1.14 0.00 0.72 -0.23 0.00 0.00 178.00 180.20 2kb5 n HIS 64 N -4.05 0.82 -3.49 1.56 8.25 -1.26 -4.34 115.22 112.70 2kb5 n HIS 64 Ca -0.02 0.35 -0.21 0.00 -0.26 0.00 0.00 57.72 57.59 2kb5 n HIS 64 Cb 0.55 -1.07 -0.13 0.00 1.12 0.00 0.00 29.99 30.46 2kb5 n HIS 64 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2kb5 s ASN 65 N -4.23 1.90 0.00 0.41 0.01 -1.07 -4.99 114.94 106.97 2kb5 s ASN 65 Ca 0.02 -0.55 0.12 0.00 -0.71 0.00 0.00 52.86 51.73 2kb5 s ASN 65 Cb 0.08 0.22 0.71 0.00 0.41 0.00 0.00 41.25 42.67 2kb5 s ASN 65 CO 0.33 -0.36 1.30 -2.11 -1.51 0.00 0.00 177.10 174.76 2kb5 n ARG 66 N 5.30 0.80 0.00 -0.60 1.85 -1.25 -3.57 116.66 119.20 2kb5 n ARG 66 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2kb5 n ARG 66 Cb 0.48 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.65 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 -0.73 0.00 -2.02 8.89 5.66 -1.26 -5.00 114.28 119.82 2kb5 n THR 67 Ca 0.09 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.66 2kb5 n THR 67 Cb 0.04 -1.18 -0.03 0.00 -1.55 0.00 0.00 70.33 67.62 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 -5.66 4.09 -0.60 1.09 0.20 -1.23 -4.93 118.68 111.63 2kb5 s LEU 68 Ca 0.00 1.97 0.06 0.00 0.69 0.00 0.00 54.13 56.85 2kb5 s LEU 68 Cb 0.00 -3.53 0.27 0.00 -0.43 0.00 0.00 46.19 42.49 2kb5 s LEU 68 CO 0.00 -1.13 0.76 -0.46 -0.29 0.00 0.00 176.35 175.23 2kb5 n ASN 69 N 7.98 3.49 -0.22 3.68 0.23 -1.26 -3.43 115.26 125.73 2kb5 n ASN 69 Ca 0.19 -3.41 0.05 0.00 -0.53 0.00 0.00 54.58 50.88 2kb5 n ASN 69 Cb 0.44 -0.65 0.07 0.00 -2.08 0.00 0.00 39.78 37.56 2kb5 n ASN 69 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kb5 n ASN 70 N 0.72 1.34 -4.33 0.53 4.13 -1.26 -4.88 115.26 111.51 2kb5 n ASN 70 Ca 0.29 -2.52 -0.28 0.00 1.68 0.00 0.00 54.58 53.76 2kb5 n ASN 70 Cb 0.42 -0.30 -0.14 0.00 -1.54 0.00 0.00 39.78 38.23 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 -0.91 1.70 0.03 0.00 3.76 -1.13 -2.26 115.29 116.48 2kb5 s HIS 72 Ca 0.11 -0.35 -0.23 0.00 -0.15 0.00 0.00 55.06 54.44 2kb5 s HIS 72 Cb -0.10 -1.04 -0.06 0.00 1.11 0.00 0.00 32.58 32.50 2kb5 s HIS 72 CO 0.03 0.04 0.69 0.50 -0.85 0.00 0.00 174.74 175.16 2kb5 s ARG 73 N -0.91 4.42 0.22 1.40 3.52 -1.26 -3.51 118.95 122.83 2kb5 s ARG 73 Ca 0.07 0.93 -0.29 0.00 -0.13 0.00 0.00 55.73 56.30 2kb5 s ARG 73 Cb -0.08 -3.35 -0.16 0.00 -1.56 0.00 0.00 34.95 29.80 2kb5 s ARG 73 CO 0.01 0.34 0.82 0.45 -0.81 0.00 0.00 175.30 176.11 2kb5 n SER 74 N 2.70 0.16 -0.11 -2.12 2.88 -1.09 -4.87 113.62 111.16 2kb5 n SER 74 Ca -0.05 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.55 2kb5 n SER 74 Cb 0.50 -1.12 -0.02 0.00 -0.75 0.00 0.00 64.21 62.83 2kb5 n SER 74 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2kb5 h ARG 75 N 1.79 0.53 -5.33 -1.46 0.11 -1.94 -3.44 114.38 104.64 2kb5 h ARG 75 Ca -0.36 -0.11 -0.51 0.00 0.10 0.00 0.00 59.98 59.11 2kb5 h ARG 75 Cb 1.39 -0.08 -0.30 0.00 1.11 0.00 0.00 29.97 32.09 2kb5 h ARG 75 CO 0.60 0.54 -0.82 -0.06 0.10 0.00 0.00 179.97 180.33 2kb5 s PHE 76 N -5.47 1.39 0.28 4.08 0.40 -1.26 -5.11 117.98 112.29 2kb5 s PHE 76 Ca -0.13 -0.29 -0.30 0.00 -0.60 0.00 0.00 56.93 55.60 2kb5 s PHE 76 Cb 0.09 -0.91 -0.12 0.00 0.51 0.00 0.00 43.02 42.59 2kb5 s PHE 76 CO 0.74 -0.05 1.47 0.54 0.70 0.00 0.00 175.22 178.62 2kb5 n ARG 77 N 2.83 2.34 -4.18 0.44 1.74 -1.26 -4.77 116.66 113.80 2kb5 n ARG 77 Ca -0.15 0.83 -0.17 0.00 -0.77 0.00 0.00 57.85 57.59 2kb5 n ARG 77 Cb 0.54 -2.53 -0.11 0.00 -1.02 0.00 0.00 32.46 29.34 2kb5 n ARG 77 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2kb5 s VAL 78 N -0.23 1.06 -0.23 1.55 -7.23 -1.22 -4.84 120.40 109.27 2kb5 s VAL 78 Ca 0.64 -1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 2kb5 s VAL 78 Cb -0.57 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2kb5 s VAL 78 CO 0.52 -0.35 1.61 -2.16 -0.31 0.00 0.00 175.10 174.41 2kb5 s PRO 79 N -2.14 3.78 0.46 4.82 0.04 -1.26 -1.18 135.00 139.52 2kb5 s PRO 79 Ca 0.01 1.64 0.05 0.00 0.04 0.00 0.00 61.00 62.74 2kb5 s PRO 79 Cb -0.07 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 2kb5 s PRO 79 CO 0.02 -1.31 0.13 -0.48 0.04 0.00 0.00 177.00 175.40 2kb5 s LEU 80 N 5.24 2.75 -0.03 -3.56 0.05 0.15 -0.62 118.68 122.66 2kb5 s LEU 80 Ca 0.71 -1.34 0.05 0.00 0.05 0.00 0.00 54.13 53.60 2kb5 s LEU 80 Cb -0.25 -1.08 -0.01 0.00 -2.05 0.00 0.00 46.19 42.81 2kb5 s LEU 80 CO 0.29 -0.72 -0.18 -0.22 -0.55 0.00 0.00 176.35 174.98 2kb5 s LEU 81 N -3.93 1.96 -0.21 1.48 1.98 0.16 -1.63 118.68 118.49 2kb5 s LEU 81 Ca 0.28 -0.35 -0.00 0.00 -2.89 0.00 0.00 54.13 51.16 2kb5 s LEU 81 Cb 0.03 -0.98 0.02 0.00 0.66 0.00 0.00 46.19 45.92 2kb5 s LEU 81 CO 0.16 0.18 -0.13 -2.28 -1.89 0.00 0.00 176.35 172.38 2kb5 s HIS 82 N -0.12 2.93 -0.50 5.38 5.65 0.12 0.02 115.29 128.76 2kb5 s HIS 82 Ca -0.00 -1.58 -0.03 0.00 0.25 0.00 0.00 55.06 53.70 2kb5 s HIS 82 Cb -0.10 -1.98 0.13 0.00 -1.18 0.00 0.00 32.58 29.45 2kb5 s HIS 82 CO 0.01 -0.76 0.31 0.00 -0.65 0.00 0.00 174.74 173.66 2kb5 s ASP 84 N 1.31 6.63 -0.27 0.00 2.15 -0.49 -1.44 116.67 124.56 2kb5 s ASP 84 Ca 0.12 0.77 -0.36 0.00 0.43 0.00 0.00 52.55 53.51 2kb5 s ASP 84 Cb -0.22 -2.36 -0.12 0.00 -0.30 0.00 0.00 42.92 39.92 2kb5 s ASP 84 CO -0.04 -0.40 2.01 -0.11 -0.17 0.00 0.00 175.17 176.46 2kb5 n LEU 85 N 5.77 2.55 0.22 -1.34 7.94 0.46 -0.03 117.00 132.58 2kb5 n LEU 85 Ca 0.01 0.70 0.13 0.00 -1.11 0.00 0.00 56.01 55.74 2kb5 n LEU 85 Cb 0.49 -1.27 0.74 0.00 0.53 0.00 0.00 43.42 43.90 2kb5 n LEU 85 CO 0.44 -0.49 1.11 0.40 -1.11 0.00 0.00 177.39 177.74 2kb5 h ILE 86 N 6.26 0.77 -3.39 1.96 2.04 -0.59 -3.30 117.51 121.26 2kb5 h ILE 86 Ca -0.37 0.00 -0.66 0.00 1.00 0.00 0.00 64.86 64.83 2kb5 h ILE 86 Cb 1.31 0.93 -0.39 0.00 -0.74 0.00 0.00 36.82 37.93 2kb5 h ILE 86 CO 0.99 0.00 -0.52 0.54 0.00 0.00 0.00 178.15 179.16 2kb5 s ASN 87 N -6.54 4.72 -0.15 1.72 2.20 -1.26 -5.07 114.94 110.56 2kb5 s ASN 87 Ca -0.05 -3.11 -0.29 0.00 -0.94 0.00 0.00 52.86 48.46 2kb5 s ASN 87 Cb 0.17 -1.72 -0.04 0.00 -2.00 0.00 0.00 41.25 37.67 2kb5 s ASN 87 CO 0.63 -0.25 1.56 -2.16 -2.94 0.00 0.00 177.10 173.95 2kb5 s PRO 88 N -0.43 4.03 0.00 3.55 0.04 -1.24 -2.50 135.00 138.44 2kb5 s PRO 88 Ca 0.19 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2kb5 s PRO 88 Cb -0.21 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2kb5 s PRO 88 CO -0.04 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.41 2kb5 n GLY 89 N 4.25 0.60 3.81 0.56 0.00 -1.26 -5.09 105.19 108.06 2kb5 n GLY 89 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2kb5 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb5 s ALA 90 N -2.00 2.49 -0.47 4.61 0.00 -1.04 -5.03 121.76 120.32 2kb5 s ALA 90 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.06 2kb5 s ALA 90 Cb 0.00 -3.17 0.27 0.00 0.00 0.00 0.00 23.12 20.22 2kb5 s ALA 90 CO 0.00 -1.44 0.64 1.04 0.00 0.00 0.00 175.76 176.00 2kb5 n GLN 91 N -3.27 1.44 -3.65 0.00 6.02 -1.26 -4.56 117.38 112.10 2kb5 n GLN 91 Ca 0.08 -3.77 -0.07 0.00 -0.01 0.00 0.00 57.00 53.22 2kb5 n GLN 91 Cb 0.54 -1.64 -0.07 0.00 1.02 0.00 0.00 30.24 30.09 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 -1.85 -0.92 -0.26 1.08 2.20 -1.26 -4.86 114.94 109.07 2kb5 s ASN 92 Ca 0.38 1.46 -0.03 0.00 -0.94 0.00 0.00 52.86 53.73 2kb5 s ASN 92 Cb 0.19 1.40 -0.16 0.00 -2.00 0.00 0.00 41.25 40.68 2kb5 s ASN 92 CO -0.08 -0.23 -0.23 2.30 -2.94 0.00 0.00 177.10 175.92 2kb5 n ILE 93 N 4.41 1.52 -0.17 0.54 -5.35 -1.26 -3.61 119.36 115.43 2kb5 n ILE 93 Ca -0.20 -0.52 0.11 0.00 -0.27 0.00 0.00 62.75 61.87 2kb5 n ILE 93 Cb 0.58 -1.56 0.43 0.00 -1.74 0.00 0.00 39.64 37.34 2kb5 n ILE 93 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2kb5 h SER 94 N -0.27 0.53 -1.70 7.28 0.02 -1.97 -2.81 113.55 114.63 2kb5 h SER 94 Ca -0.60 0.02 -0.54 0.00 -0.84 0.00 0.00 61.79 59.82 2kb5 h SER 94 Cb 1.83 -0.09 -0.41 0.00 0.14 0.00 0.00 62.40 63.86 2kb5 h SER 94 CO -0.17 0.31 -0.83 0.59 -1.14 0.00 0.00 176.83 175.59 2kb5 n ASN 95 N -4.49 3.72 -4.88 3.07 3.02 -1.26 -5.07 115.26 109.37 2kb5 n ASN 95 Ca 0.12 -3.47 -0.37 0.00 -0.03 0.00 0.00 54.58 50.83 2kb5 n ASN 95 Cb 0.37 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.08 3.48 -0.18 0.00 0.52 -1.26 -4.83 118.95 115.60 2kb5 s ARG 97 Ca 0.16 -0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2kb5 s ARG 97 Cb -0.12 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.07 2kb5 s ARG 97 CO 0.06 -0.24 -0.11 0.71 0.02 0.00 0.00 175.30 175.74 2kb5 s TYR 98 N 1.56 2.86 -0.64 -0.53 2.02 -1.26 0.17 117.35 121.54 2kb5 s TYR 98 Ca 0.06 -0.98 -0.27 0.00 -0.37 0.00 0.00 57.07 55.50 2kb5 s TYR 98 Cb -0.15 -1.97 0.03 0.00 -0.40 0.00 0.00 41.96 39.47 2kb5 s TYR 98 CO 0.02 -0.49 1.19 0.00 -1.57 0.00 0.00 175.55 174.70 2kb5 s ALA 99 N 1.04 2.93 0.32 3.71 0.00 0.95 -4.70 121.76 126.01 2kb5 s ALA 99 Ca -0.01 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 2kb5 s ALA 99 Cb -0.15 -4.08 -0.10 0.00 0.00 0.00 0.00 23.12 18.80 2kb5 s ALA 99 CO -0.02 -2.85 1.24 0.16 0.00 0.00 0.00 175.76 174.28 2kb5 s ASP 100 N 3.24 6.91 -0.26 0.00 -4.77 -1.26 -1.39 116.67 119.14 2kb5 s ASP 100 Ca 0.38 2.54 -0.01 0.00 -3.30 0.00 0.00 52.55 52.17 2kb5 s ASP 100 Cb -0.09 -2.64 0.14 0.00 -1.09 0.00 0.00 42.92 39.24 2kb5 s ASP 100 CO 0.21 -0.42 0.35 -0.60 0.70 0.00 0.00 175.17 175.41 2kb5 s ARG 101 N -1.71 0.35 0.53 2.11 6.06 0.14 -4.95 118.95 121.47 2kb5 s ARG 101 Ca 0.48 0.25 -0.20 0.00 -2.50 0.00 0.00 55.73 53.76 2kb5 s ARG 101 Cb -0.37 -0.54 -0.06 0.00 0.06 0.00 0.00 34.95 34.04 2kb5 s ARG 101 CO 0.49 -0.83 1.13 -1.25 -2.50 0.00 0.00 175.30 172.34 2kb5 s PRO 102 N 2.49 3.40 0.12 5.12 0.04 -1.26 -0.70 135.00 144.21 2kb5 s PRO 102 Ca 0.11 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 2kb5 s PRO 102 Cb -0.14 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.43 2kb5 s PRO 102 CO -0.23 -0.81 1.09 0.20 0.04 0.00 0.00 177.00 177.28 2kb5 s GLY 103 N -1.72 -0.12 -0.22 0.56 0.00 -0.65 -4.91 107.32 100.26 2kb5 s GLY 103 Ca 0.72 0.03 -0.03 0.00 0.00 0.00 0.00 44.72 45.44 2kb5 s GLY 103 CO 0.28 1.56 0.24 -1.60 0.00 0.00 0.00 173.10 173.58 2kb5 s ARG 104 N -2.55 0.22 0.14 2.90 3.52 -1.26 0.32 118.95 122.25 2kb5 s ARG 104 Ca 0.18 0.15 -0.25 0.00 -0.13 0.00 0.00 55.73 55.68 2kb5 s ARG 104 Cb -0.01 -1.07 0.07 0.00 -1.56 0.00 0.00 34.95 32.38 2kb5 s ARG 104 CO 0.02 -0.73 0.84 1.03 -0.81 0.00 0.00 175.30 175.65 2kb5 s ARG 105 N 2.34 1.24 0.70 5.12 0.52 -0.32 -4.77 118.95 123.78 2kb5 s ARG 105 Ca 0.08 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 54.56 2kb5 s ARG 105 Cb -0.15 0.47 0.18 0.00 0.52 0.00 0.00 34.95 35.97 2kb5 s ARG 105 CO -0.17 -0.56 0.45 1.19 0.02 0.00 0.00 175.30 176.23 2kb5 n PHE 106 N -0.40 -3.00 -3.67 -0.53 3.72 -1.26 -3.39 117.46 108.93 2kb5 n PHE 106 Ca -0.08 -0.42 -0.10 0.00 -0.05 0.00 0.00 57.45 56.80 2kb5 n PHE 106 Cb 0.61 -0.61 -0.09 0.00 -0.94 0.00 0.00 39.48 38.46 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 -1.62 -0.75 -0.49 1.38 -0.85 -1.26 -1.83 117.35 111.92 2kb5 s TYR 107 Ca 0.33 1.62 -0.16 0.00 -0.52 0.00 0.00 57.07 58.34 2kb5 s TYR 107 Cb -0.05 0.36 0.08 0.00 0.38 0.00 0.00 41.96 42.73 2kb5 s TYR 107 CO 0.27 -0.39 0.46 0.08 -1.52 0.00 0.00 175.55 174.46 2kb5 s VAL 108 N 1.11 5.16 -0.02 -3.49 1.01 0.14 -2.67 120.40 121.64 2kb5 s VAL 108 Ca -0.07 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 60.98 2kb5 s VAL 108 Cb -0.06 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 2kb5 s VAL 108 CO -0.11 -0.67 -0.24 0.68 0.00 0.00 0.00 175.10 174.77 2kb5 s VAL 109 N 1.84 1.88 -0.21 2.92 -7.23 -1.23 0.02 120.40 118.40 2kb5 s VAL 109 Ca 0.06 -1.02 -0.20 0.00 -1.81 0.00 0.00 61.98 59.01 2kb5 s VAL 109 Cb -0.24 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 2kb5 s VAL 109 CO 0.07 0.53 0.58 0.00 -0.31 0.00 0.00 175.10 175.97 2kb5 s ALA 110 N -0.56 3.55 0.28 1.32 0.00 0.95 -2.84 121.76 124.46 2kb5 s ALA 110 Ca 0.09 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 2kb5 s ALA 110 Cb -0.09 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 2kb5 s ALA 110 CO -0.01 -0.54 0.61 0.00 0.00 0.00 0.00 175.76 175.82 2kb5 s ASP 112 N -2.59 0.13 0.24 0.00 2.15 0.14 -4.85 116.67 111.89 2kb5 s ASP 112 Ca 0.49 -0.98 -0.31 0.00 0.43 0.00 0.00 52.55 52.18 2kb5 s ASP 112 Cb -0.11 0.39 -0.11 0.00 -0.30 0.00 0.00 42.92 42.79 2kb5 s ASP 112 CO 0.23 -0.84 1.65 0.20 -0.17 0.00 0.00 175.17 176.25 2kb5 s ASN 113 N -2.99 6.40 0.68 -0.34 -0.87 -1.26 -1.34 114.94 115.21 2kb5 s ASN 113 Ca 0.19 2.87 0.00 0.00 -1.57 0.00 0.00 52.86 54.36 2kb5 s ASN 113 Cb 0.05 -2.61 0.10 0.00 -0.02 0.00 0.00 41.25 38.77 2kb5 s ASN 113 CO 0.00 -0.93 0.94 -0.13 -2.57 0.00 0.00 177.10 174.41 2kb5 s ARG 114 N 0.45 1.90 0.02 -0.60 1.81 -0.37 -4.86 118.95 117.29 2kb5 s ARG 114 Ca 0.69 -1.06 0.07 0.00 -1.72 0.00 0.00 55.73 53.71 2kb5 s ARG 114 Cb -0.48 -2.38 -0.03 0.00 -0.45 0.00 0.00 34.95 31.61 2kb5 s ARG 114 CO 0.39 -1.26 -0.19 0.34 -0.68 0.00 0.00 175.30 173.89 2kb5 s ASP 115 N -4.67 3.71 0.00 0.23 2.15 -1.26 -4.99 116.67 111.84 2kb5 s ASP 115 Ca 0.64 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.22 2kb5 s ASP 115 Cb -0.06 -0.60 0.00 0.00 -0.30 0.00 0.00 42.92 41.95 2kb5 s ASP 115 CO 0.43 0.28 0.47 -0.81 -0.17 0.00 0.00 175.17 175.37 2kb5 n PRO 116 N 1.82 0.49 -0.03 4.34 -0.04 -1.26 -0.62 135.00 139.70 2kb5 n PRO 116 Ca -0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2kb5 n PRO 116 Cb 0.52 -1.02 -0.08 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.44 1.41 -0.03 0.54 1.85 -1.26 -4.52 116.66 114.20 2kb5 n ARG 117 Ca 0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 57.85 56.73 2kb5 n ARG 117 Cb 0.01 -1.26 -0.02 0.00 -1.05 0.00 0.00 32.46 30.14 2kb5 n ARG 117 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kb5 n ASP 118 N -2.14 0.88 -3.36 2.89 9.92 -0.89 -4.87 116.55 118.99 2kb5 n ASP 118 Ca -0.10 0.07 -0.27 0.00 -0.53 0.00 0.00 54.79 53.96 2kb5 n ASP 118 Cb 0.57 -0.18 -0.08 0.00 -0.64 0.00 0.00 41.12 40.79 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 -3.21 3.35 0.15 -2.24 2.88 0.21 -4.88 113.62 109.87 2kb5 n SER 119 Ca -0.13 -3.37 0.12 0.00 -1.33 0.00 0.00 58.87 54.17 2kb5 n SER 119 Cb 0.60 -0.66 0.52 0.00 -0.75 0.00 0.00 64.21 63.91 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 4.08 0.00 0.00 -1.46 0.13 -1.79 -3.29 132.00 129.68 2kb5 h PRO 120 Ca 0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.17 2kb5 h PRO 120 Cb 0.68 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 2kb5 h PRO 120 CO 0.79 0.00 -1.29 2.89 -0.23 0.00 0.00 178.00 180.16 2kb5 n ARG 121 N -2.33 0.53 -2.61 0.86 1.85 -1.26 -4.92 116.66 108.78 2kb5 n ARG 121 Ca 0.02 0.35 -0.42 0.00 -1.00 0.00 0.00 57.85 56.79 2kb5 n ARG 121 Cb 0.23 -1.55 -0.03 0.00 -1.05 0.00 0.00 32.46 30.07 2kb5 n ARG 121 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2kb5 s TYR 122 N -2.59 3.49 -0.02 2.89 2.02 -1.24 -4.96 117.35 116.94 2kb5 s TYR 122 Ca -0.28 1.51 -0.25 0.00 -0.37 0.00 0.00 57.07 57.69 2kb5 s TYR 122 Cb 0.06 -3.25 -0.19 0.00 -0.40 0.00 0.00 41.96 38.19 2kb5 s TYR 122 CO 0.42 -0.52 1.18 -1.00 -1.57 0.00 0.00 175.55 174.06 2kb5 h PRO 123 N 7.01 -0.11 -6.21 -1.71 0.13 -1.91 -3.43 132.00 125.75 2kb5 h PRO 123 Ca -0.37 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.18 2kb5 h PRO 123 Cb 1.19 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 2kb5 h PRO 123 CO 0.82 0.33 -0.71 0.54 -0.23 0.00 0.00 178.00 178.75 2kb5 s VAL 124 N -4.17 2.90 0.02 1.56 0.11 -1.26 -1.24 120.40 118.33 2kb5 s VAL 124 Ca -0.15 -2.19 -0.19 0.00 -2.93 0.00 0.00 61.98 56.52 2kb5 s VAL 124 Cb 0.01 -2.53 0.04 0.00 -1.53 0.00 0.00 36.38 32.37 2kb5 s VAL 124 CO 0.61 -0.38 0.42 0.68 -3.33 0.00 0.00 175.10 173.10 2kb5 s VAL 125 N -2.41 0.05 0.27 2.04 -7.23 -0.45 -4.86 120.40 107.81 2kb5 s VAL 125 Ca 0.30 -0.40 -0.29 0.00 -1.81 0.00 0.00 61.98 59.78 2kb5 s VAL 125 Cb -0.06 -0.89 -0.10 0.00 0.56 0.00 0.00 36.38 35.90 2kb5 s VAL 125 CO 0.17 -0.22 1.26 -2.16 -0.31 0.00 0.00 175.10 173.83 2kb5 s PRO 126 N -2.11 4.44 0.00 4.82 0.04 -1.26 0.23 135.00 141.16 2kb5 s PRO 126 Ca -0.08 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2kb5 s PRO 126 Cb -0.02 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2kb5 s PRO 126 CO 0.00 -0.11 0.20 1.33 0.04 0.00 0.00 177.00 178.46 2kb5 n VAL 127 N 1.55 0.03 -3.64 -0.36 0.24 0.68 -4.37 118.33 112.46 2kb5 n VAL 127 Ca 0.02 -0.15 -0.08 0.00 -2.04 0.00 0.00 64.34 62.09 2kb5 n VAL 127 Cb 0.43 1.62 -0.07 0.00 -1.47 0.00 0.00 33.84 34.35 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 -0.03 -1.02 -0.29 6.34 5.65 -1.24 -4.97 115.29 119.73 2kb5 s HIS 128 Ca 0.00 2.10 -0.03 0.00 0.25 0.00 0.00 55.06 57.38 2kb5 s HIS 128 Cb 0.00 0.57 0.04 0.00 -1.18 0.00 0.00 32.58 32.01 2kb5 s HIS 128 CO 0.00 -0.50 0.01 -1.17 -0.65 0.00 0.00 174.74 172.43 2kb5 s LEU 129 N 1.41 3.74 -0.02 8.88 1.98 -1.26 -0.04 118.68 133.38 2kb5 s LEU 129 Ca -0.08 -1.05 -0.20 0.00 -2.89 0.00 0.00 54.13 49.91 2kb5 s LEU 129 Cb -0.05 -1.75 -0.12 0.00 0.66 0.00 0.00 46.19 44.93 2kb5 s LEU 129 CO -0.16 -0.22 0.85 -0.78 -1.89 0.00 0.00 176.35 174.15 2kb5 h ASP 130 N 8.07 -0.50 -2.16 3.68 1.82 -0.80 -3.49 116.42 123.04 2kb5 h ASP 130 Ca -0.26 -0.06 0.20 0.00 -0.39 0.00 0.00 57.03 56.52 2kb5 h ASP 130 Cb 1.09 0.13 -0.04 0.00 0.68 0.00 0.00 39.33 41.19 2kb5 h ASP 130 CO 0.57 -0.07 0.63 1.07 -1.61 0.00 0.00 179.24 179.82 2kb5 n THR 131 N -5.18 0.00 -3.92 2.25 5.66 -1.25 -5.01 114.28 106.84 2kb5 n THR 131 Ca -0.09 -0.36 -0.30 0.00 -3.05 0.00 0.00 64.05 60.26 2kb5 n THR 131 Cb 0.27 0.62 -0.16 0.00 -1.55 0.00 0.00 70.33 69.51 2kb5 n THR 131 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2kb5 s THR 132 N -2.09 1.36 0.00 1.09 -4.23 -1.26 -0.68 115.64 109.83 2kb5 s THR 132 Ca 0.23 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 2kb5 s THR 132 Cb -0.02 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.25 2kb5 s THR 132 CO 0.03 0.02 0.00 -0.38 -0.54 0.00 0.00 174.62 173.75