#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 0.38 0.00 -0.14 0.04 -1.26 -4.92 135.00 129.10 2kb5 s PRO 2 Ca 0.00 0.51 0.14 0.00 0.04 0.00 0.00 61.00 61.69 2kb5 s PRO 2 Cb 0.00 -1.73 0.60 0.00 0.04 0.00 0.00 34.50 33.41 2kb5 s PRO 2 CO 0.00 -2.76 1.45 -0.35 0.04 0.00 0.00 177.00 175.38 2kb5 n PRO 3 N -4.20 0.00 0.12 0.56 -0.04 -1.26 -2.29 135.00 127.89 2kb5 n PRO 3 Ca 0.05 0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.79 2kb5 n PRO 3 Cb 0.57 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.00 -4.04 0.54 4.20 -2.05 -3.44 115.11 110.32 2kb5 h GLN 4 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 2kb5 h GLN 4 Cb 0.24 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.66 2kb5 h GLN 4 CO 0.00 0.41 -0.79 -0.06 -0.67 0.00 0.00 178.83 177.73 2kb5 s PHE 5 N -2.98 1.08 0.99 2.96 0.08 -0.97 -5.05 117.98 114.09 2kb5 s PHE 5 Ca 0.02 -0.43 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 2kb5 s PHE 5 Cb 0.08 -0.97 0.19 0.00 -0.57 0.00 0.00 43.02 41.74 2kb5 s PHE 5 CO 0.76 -0.37 1.08 0.95 -0.10 0.00 0.00 175.22 177.54 2kb5 s THR 6 N 1.56 2.30 0.61 0.64 -4.23 -1.26 -4.20 115.64 111.06 2kb5 s THR 6 Ca 0.00 0.10 0.33 0.00 -1.18 0.00 0.00 61.69 60.94 2kb5 s THR 6 Cb -0.13 -2.40 0.37 0.00 1.34 0.00 0.00 72.50 71.68 2kb5 s THR 6 CO -0.05 -0.13 2.21 0.03 -0.54 0.00 0.00 174.62 176.14 2kb5 h ARG 7 N -1.97 0.00 0.00 3.99 3.08 -1.93 0.40 114.38 117.95 2kb5 h ARG 7 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2kb5 h ARG 7 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2kb5 h ARG 7 CO 0.52 0.00 -0.24 0.00 -1.07 0.00 0.00 179.97 179.18 2kb5 h ALA 8 N 1.87 0.00 -0.25 0.04 0.00 -1.90 -3.03 119.26 115.99 2kb5 h ALA 8 Ca 0.03 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.64 2kb5 h ALA 8 Cb 0.22 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kb5 h ALA 8 CO -0.00 0.24 0.26 -0.56 0.00 0.00 0.00 179.25 179.19 2kb5 h GLN 9 N -0.48 0.00 0.00 0.00 -0.00 -1.89 0.15 115.11 112.90 2kb5 h GLN 9 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.48 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 -1.04 2.35 -0.00 0.00 0.00 178.83 180.14 2kb5 h TRP 10 N 0.00 0.00 0.11 0.06 -0.00 -0.39 -3.20 115.95 112.53 2kb5 h TRP 10 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.00 2kb5 h TRP 10 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.80 2kb5 h TRP 10 CO 0.00 0.72 -0.05 0.35 -0.00 0.00 0.00 178.44 179.45 2kb5 h PHE 11 N 0.00 -0.14 0.00 2.65 3.04 -0.57 -2.91 116.94 119.02 2kb5 h PHE 11 Ca -0.09 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.81 2kb5 h PHE 11 Cb 1.62 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 40.17 2kb5 h PHE 11 CO 0.00 0.12 -0.21 0.00 -2.02 0.00 0.00 178.31 176.20 2kb5 h ALA 12 N 0.48 1.54 -0.86 2.41 0.00 -1.63 0.35 119.26 121.55 2kb5 h ALA 12 Ca -0.01 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.88 2kb5 h ALA 12 Cb 0.32 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2kb5 h ALA 12 CO 0.02 0.26 0.40 0.82 0.00 0.00 0.00 179.25 180.76 2kb5 h ILE 13 N 0.00 0.62 0.00 0.00 1.08 -1.50 2.97 117.51 120.68 2kb5 h ILE 13 Ca -0.00 -0.18 -0.16 0.00 -0.39 0.00 0.00 64.86 64.13 2kb5 h ILE 13 Cb 0.40 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.18 2kb5 h ILE 13 CO 0.03 0.09 -1.91 0.00 -0.69 0.00 0.00 178.15 175.67 2kb5 n GLN 14 N -4.95 1.11 0.00 2.37 10.64 -1.07 -4.37 117.38 121.10 2kb5 n GLN 14 Ca 0.19 -0.07 0.13 0.00 -1.83 0.00 0.00 57.00 55.42 2kb5 n GLN 14 Cb 0.52 -1.39 0.37 0.00 -0.86 0.00 0.00 30.24 28.88 2kb5 n GLN 14 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2kb5 n HIS 15 N -2.35 0.00 -3.67 2.61 8.25 0.12 -4.12 115.22 116.06 2kb5 n HIS 15 Ca -0.16 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.11 2kb5 n HIS 15 Cb 0.76 -0.08 -0.17 0.00 1.12 0.00 0.00 29.99 31.61 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 -2.38 -0.15 -0.24 1.59 1.01 0.99 -2.64 121.20 119.38 2kb5 s ILE 16 Ca 0.27 0.41 -0.05 0.00 0.00 0.00 0.00 60.65 61.28 2kb5 s ILE 16 Cb 0.20 -0.19 0.12 0.00 0.01 0.00 0.00 42.46 42.60 2kb5 s ILE 16 CO 0.48 0.17 0.46 -0.55 0.00 0.00 0.00 174.94 175.50 2kb5 s SER 17 N 2.19 -0.36 0.01 3.58 0.15 -0.90 -4.35 113.70 114.02 2kb5 s SER 17 Ca 0.04 0.79 -0.25 0.00 0.70 0.00 0.00 55.95 57.23 2kb5 s SER 17 Cb -0.12 1.51 -0.17 0.00 -1.71 0.00 0.00 66.02 65.53 2kb5 s SER 17 CO -0.04 -0.26 1.26 -0.07 1.20 0.00 0.00 173.24 175.33 2kb5 h LEU 18 N 8.13 -0.26 -5.72 3.45 3.38 -1.85 -2.88 115.31 119.56 2kb5 h LEU 18 Ca -0.18 -0.22 -0.57 0.00 0.09 0.00 0.00 57.88 57.00 2kb5 h LEU 18 Cb 1.13 0.07 -0.41 0.00 0.09 0.00 0.00 40.66 41.54 2kb5 h LEU 18 CO 0.19 0.11 -0.79 -0.46 0.09 0.00 0.00 178.44 177.58 2kb5 n ASN 19 N -5.07 3.15 -4.70 -0.43 0.23 -1.26 -4.70 115.26 102.48 2kb5 n ASN 19 Ca -0.09 -3.40 -0.42 0.00 -0.53 0.00 0.00 54.58 50.14 2kb5 n ASN 19 Cb 0.25 -0.61 -0.03 0.00 -2.08 0.00 0.00 39.78 37.31 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 -2.80 4.30 0.00 -0.53 0.04 -1.26 -5.03 135.00 129.72 2kb5 s PRO 20 Ca 0.44 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2kb5 s PRO 20 Cb 0.25 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2kb5 s PRO 20 CO -0.09 -0.51 0.00 -0.35 0.04 0.00 0.00 177.00 176.08 2kb5 n PRO 21 N 4.75 1.15 -1.75 0.56 -0.04 -1.26 -4.88 135.00 133.53 2kb5 n PRO 21 Ca 0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 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 0.00 4.15 0.09 0.54 0.52 -1.26 -4.39 118.95 118.60 2kb5 s ARG 22 Ca 0.00 2.52 0.02 0.00 -0.52 0.00 0.00 55.73 57.75 2kb5 s ARG 22 Cb 0.00 -4.12 0.27 0.00 0.52 0.00 0.00 34.95 31.61 2kb5 s ARG 22 CO 0.00 -0.93 0.44 0.00 0.02 0.00 0.00 175.30 174.83 2kb5 h THR 24 N 0.00 0.14 0.00 0.00 2.02 -1.87 -0.16 112.91 113.04 2kb5 h THR 24 Ca 0.19 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.21 2kb5 h THR 24 Cb 0.44 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2kb5 h THR 24 CO -0.25 0.00 -1.48 -0.38 0.37 0.00 0.00 175.52 173.78 2kb5 n ILE 25 N -5.42 1.10 0.05 3.11 5.41 0.50 -3.34 119.36 120.78 2kb5 n ILE 25 Ca 0.01 -0.68 0.08 0.00 1.00 0.00 0.00 62.75 63.16 2kb5 n ILE 25 Cb 0.35 -0.66 0.51 0.00 -0.71 0.00 0.00 39.64 39.14 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 1.47 1.90 0.00 -1.39 0.00 0.17 -2.30 119.26 119.11 2kb5 h ALA 26 Ca -0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kb5 h ALA 26 Cb 1.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2kb5 h ALA 26 CO 0.04 0.05 -0.48 0.00 0.00 0.00 0.00 179.25 178.86 2kb5 n MET 27 N -4.49 1.54 -0.00 0.00 0.00 -0.12 -4.69 117.12 109.37 2kb5 n MET 27 Ca 0.03 -3.25 -0.21 0.00 0.00 0.00 0.00 57.70 54.27 2kb5 n MET 27 Cb 0.17 -1.58 -0.14 0.00 0.00 0.00 0.00 33.22 31.67 2kb5 n MET 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2kb5 n ARG 28 N -1.11 0.75 0.09 3.17 -4.01 -0.86 -2.85 116.66 111.84 2kb5 n ARG 28 Ca 0.19 0.27 -0.06 0.00 -1.04 0.00 0.00 57.85 57.20 2kb5 n ARG 28 Cb 0.70 -1.70 0.00 0.00 -3.04 0.00 0.00 32.46 28.42 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kb5 h ALA 29 N 0.05 0.58 0.08 2.89 0.00 -1.84 -3.19 119.26 117.83 2kb5 h ALA 29 Ca -0.43 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 53.74 2kb5 h ALA 29 Cb 2.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2kb5 h ALA 29 CO 0.07 0.97 -0.04 0.82 0.00 0.00 0.00 179.25 181.07 2kb5 h ILE 30 N 0.05 0.00 -0.65 0.00 5.03 -1.85 -3.29 117.51 116.80 2kb5 h ILE 30 Ca -0.03 -0.91 0.19 0.00 -0.12 0.00 0.00 64.86 63.99 2kb5 h ILE 30 Cb 1.48 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 35.24 2kb5 h ILE 30 CO 0.12 0.00 0.86 0.78 -0.68 0.00 0.00 178.15 179.23 2kb5 h ASN 31 N -1.02 0.00 0.00 1.72 4.21 -1.67 0.61 115.58 119.42 2kb5 h ASN 31 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2kb5 h ASN 31 Cb 0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 2kb5 h ASN 31 CO 0.02 0.00 0.03 -3.20 -1.29 0.00 0.00 177.43 172.99 2kb5 n ASN 32 N -3.32 0.00 0.30 5.81 2.85 -1.21 -1.61 115.26 118.08 2kb5 n ASN 32 Ca 0.14 0.45 0.17 0.00 -0.11 0.00 0.00 54.58 55.23 2kb5 n ASN 32 Cb 1.08 -0.45 0.96 0.00 1.24 0.00 0.00 39.78 42.61 2kb5 n ASN 32 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2kb5 h TYR 33 N 0.00 0.00 -3.81 1.20 -0.00 0.01 -3.45 116.97 110.93 2kb5 h TYR 33 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 58.47 2kb5 h TYR 33 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 36.74 2kb5 h TYR 33 CO 0.00 0.02 -0.15 0.54 -0.00 0.00 0.00 178.16 178.57 2kb5 n ARG 34 N -3.62 0.59 -0.63 0.10 5.12 -0.64 -4.11 116.66 113.48 2kb5 n ARG 34 Ca -0.03 -2.47 0.07 0.00 -1.93 0.00 0.00 57.85 53.49 2kb5 n ARG 34 Cb 0.10 2.35 0.32 0.00 -1.16 0.00 0.00 32.46 34.08 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 -0.51 1.50 -4.30 -1.55 7.02 -1.26 -4.91 117.44 113.43 2kb5 n TRP 35 Ca 0.01 -0.55 -0.22 0.00 -1.02 0.00 0.00 57.50 55.72 2kb5 n TRP 35 Cb 0.51 -0.33 -0.12 0.00 -2.42 0.00 0.00 31.31 28.96 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 -2.12 1.18 -0.12 -0.99 3.52 -1.26 -4.35 118.95 114.81 2kb5 s ARG 36 Ca 0.44 -1.28 0.02 0.00 -0.13 0.00 0.00 55.73 54.78 2kb5 s ARG 36 Cb 0.31 -1.31 -0.01 0.00 -1.56 0.00 0.00 34.95 32.38 2kb5 s ARG 36 CO 0.17 0.28 -0.18 0.00 -0.81 0.00 0.00 175.30 174.77 2kb5 s LYS 38 N 0.39 2.51 0.00 0.00 3.01 -1.26 -4.74 119.74 119.65 2kb5 s LYS 38 Ca -0.14 1.79 0.29 0.00 -1.01 0.00 0.00 55.97 56.90 2kb5 s LYS 38 Cb -0.17 -1.87 1.23 0.00 -1.01 0.00 0.00 37.83 36.00 2kb5 s LYS 38 CO 0.06 -1.56 1.89 0.09 0.51 0.00 0.00 175.35 176.35 2kb5 n ASN 39 N -2.23 0.14 -3.63 2.83 4.13 -1.26 -4.62 115.26 110.62 2kb5 n ASN 39 Ca 0.14 0.05 -0.05 0.00 1.68 0.00 0.00 54.58 56.40 2kb5 n ASN 39 Cb 0.50 -0.28 -0.06 0.00 -1.54 0.00 0.00 39.78 38.40 2kb5 n ASN 39 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2kb5 s GLN 40 N -2.79 0.22 0.25 3.52 0.74 -1.26 -1.75 119.66 118.58 2kb5 s GLN 40 Ca 0.20 0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.76 2kb5 s GLN 40 Cb 0.19 0.10 -0.05 0.00 1.10 0.00 0.00 33.01 34.36 2kb5 s GLN 40 CO 0.52 -0.05 0.09 1.21 -0.55 0.00 0.00 175.29 176.51 2kb5 s ASN 41 N -0.52 1.11 -0.17 6.67 2.47 0.15 -4.97 114.94 119.67 2kb5 s ASN 41 Ca 0.06 -1.37 -0.05 0.00 0.42 0.00 0.00 52.86 51.92 2kb5 s ASN 41 Cb -0.03 0.18 0.06 0.00 -1.45 0.00 0.00 41.25 40.01 2kb5 s ASN 41 CO -0.08 -0.73 0.10 -0.89 -3.72 0.00 0.00 177.10 171.77 2kb5 s THR 42 N -3.78 -0.10 -0.39 -5.21 2.01 -1.26 -1.36 115.64 105.55 2kb5 s THR 42 Ca 0.37 -0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.13 2kb5 s THR 42 Cb 0.08 -0.58 0.06 0.00 0.01 0.00 0.00 72.50 72.08 2kb5 s THR 42 CO 0.13 -0.27 0.21 -0.36 -0.69 0.00 0.00 174.62 173.63 2kb5 s PHE 43 N 2.15 3.32 -0.26 4.92 0.40 0.05 -4.06 117.98 124.49 2kb5 s PHE 43 Ca 0.02 -1.50 -0.14 0.00 -0.60 0.00 0.00 56.93 54.71 2kb5 s PHE 43 Cb -0.16 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 2kb5 s PHE 43 CO -0.09 -0.80 0.31 -0.48 0.70 0.00 0.00 175.22 174.86 2kb5 s LEU 44 N 1.41 4.05 -1.00 -0.37 2.34 -1.08 0.27 118.68 124.30 2kb5 s LEU 44 Ca 0.02 0.22 -0.25 0.00 0.06 0.00 0.00 54.13 54.18 2kb5 s LEU 44 Cb -0.22 -2.33 -0.17 0.00 -0.56 0.00 0.00 46.19 42.91 2kb5 s LEU 44 CO 0.02 -0.12 1.96 0.54 -1.06 0.00 0.00 176.35 177.70 2kb5 n ARG 45 N 5.10 0.94 -3.65 1.48 1.74 -0.91 -2.11 116.66 119.25 2kb5 n ARG 45 Ca -0.10 -2.02 -0.10 0.00 -0.77 0.00 0.00 57.85 54.86 2kb5 n ARG 45 Cb 0.51 -3.61 -0.05 0.00 -1.02 0.00 0.00 32.46 28.30 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 0.07 0.49 0.55 -1.32 -1.26 -4.77 115.64 121.59 2kb5 s THR 46 Ca 0.72 -0.62 -0.07 0.00 -1.21 0.00 0.00 61.69 60.50 2kb5 s THR 46 Cb 0.01 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 2kb5 s THR 46 CO 0.17 -0.32 0.83 -0.89 -2.21 0.00 0.00 174.62 172.20 2kb5 s THR 47 N -3.81 4.84 0.52 5.08 2.01 -1.26 -4.54 115.64 118.48 2kb5 s THR 47 Ca 0.04 0.42 0.21 0.00 0.31 0.00 0.00 61.69 62.67 2kb5 s THR 47 Cb 0.02 -3.84 0.29 0.00 0.01 0.00 0.00 72.50 68.97 2kb5 s THR 47 CO -0.11 -0.85 2.15 0.15 -0.69 0.00 0.00 174.62 175.27 2kb5 h PHE 48 N 0.31 0.00 -0.08 4.92 3.57 -1.98 -2.47 116.94 121.21 2kb5 h PHE 48 Ca -0.46 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 2kb5 h PHE 48 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2kb5 h PHE 48 CO 0.60 0.04 -0.04 0.00 -2.23 0.00 0.00 178.31 176.68 2kb5 h ALA 49 N 1.96 0.11 0.00 2.41 0.00 -1.98 0.41 119.26 122.17 2kb5 h ALA 49 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kb5 h ALA 49 Cb 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kb5 h ALA 49 CO 0.01 -0.12 -0.07 -0.91 0.00 0.00 0.00 179.25 178.15 2kb5 h ASN 50 N -0.22 0.00 0.03 0.00 2.35 -1.84 -0.28 115.58 115.61 2kb5 h ASN 50 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2kb5 h ASN 50 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2kb5 h ASN 50 CO 0.01 0.07 -0.18 0.58 -1.65 0.00 0.00 177.43 176.26 2kb5 h VAL 51 N 0.00 1.73 0.00 2.81 2.07 -1.35 -3.21 116.25 118.30 2kb5 h VAL 51 Ca -0.00 -2.39 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 2kb5 h VAL 51 Cb 0.13 3.35 -0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2kb5 h VAL 51 CO 0.01 0.63 -0.08 0.58 0.02 0.00 0.00 177.57 178.73 2kb5 h VAL 52 N -0.87 1.05 0.00 2.57 2.07 -0.69 -1.12 116.25 119.25 2kb5 h VAL 52 Ca -0.03 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2kb5 h VAL 52 Cb 1.13 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2kb5 h VAL 52 CO 0.03 0.08 -0.29 -1.13 0.02 0.00 0.00 177.57 176.28 2kb5 h ASN 53 N 0.00 0.00 -0.04 0.57 -1.24 -1.14 -2.97 115.58 110.75 2kb5 h ASN 53 Ca -0.00 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 2kb5 h ASN 53 Cb 0.14 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 2kb5 h ASN 53 CO 0.01 0.29 -0.31 0.58 -1.29 0.00 0.00 177.43 176.71 2kb5 h VAL 54 N 0.00 1.28 0.00 2.57 2.07 -1.20 -2.49 116.25 118.48 2kb5 h VAL 54 Ca -0.00 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2kb5 h VAL 54 Cb 0.79 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2kb5 h VAL 54 CO 0.04 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.06 2kb5 n GLY 56 N -0.66 -0.97 3.99 0.00 0.00 -0.94 -4.82 105.19 101.80 2kb5 n GLY 56 Ca -0.01 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 2kb5 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kb5 s ASN 57 N -1.91 5.96 -0.51 1.61 2.20 -0.46 -4.98 114.94 116.86 2kb5 s ASN 57 Ca 0.44 -0.14 -0.37 0.00 -0.94 0.00 0.00 52.86 51.85 2kb5 s ASN 57 Cb 0.20 -1.26 -0.15 0.00 -2.00 0.00 0.00 41.25 38.03 2kb5 s ASN 57 CO 0.34 -0.45 2.27 1.67 -2.94 0.00 0.00 177.10 177.99 2kb5 n GLN 58 N -1.68 0.56 -1.06 3.55 -0.06 -1.26 -4.89 117.38 112.54 2kb5 n GLN 58 Ca -0.00 0.13 -0.30 0.00 -2.00 0.00 0.00 57.00 54.83 2kb5 n GLN 58 Cb 0.58 -2.07 0.14 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 7.51 3.50 0.08 1.69 1.04 -1.26 -4.69 113.70 121.57 2kb5 s SER 59 Ca 1.16 1.75 -0.03 0.00 0.48 0.00 0.00 55.95 59.31 2kb5 s SER 59 Cb -1.08 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 62.63 2kb5 s SER 59 CO 0.53 -2.66 0.06 0.27 0.98 0.00 0.00 173.24 172.42 2kb5 s ILE 60 N -2.82 0.17 -0.23 -1.02 -4.36 -0.52 -4.98 121.20 107.44 2kb5 s ILE 60 Ca 0.64 -1.65 -0.29 0.00 -0.26 0.00 0.00 60.65 59.09 2kb5 s ILE 60 Cb -0.19 -1.59 -0.01 0.00 1.25 0.00 0.00 42.46 41.91 2kb5 s ILE 60 CO 0.57 -0.77 1.31 0.00 0.24 0.00 0.00 174.94 176.29 2kb5 s ARG 61 N -3.93 4.06 0.53 0.37 1.70 -1.26 -3.94 118.95 116.47 2kb5 s ARG 61 Ca 0.10 1.49 -0.22 0.00 -0.47 0.00 0.00 55.73 56.63 2kb5 s ARG 61 Cb 0.07 -3.84 -0.05 0.00 -0.57 0.00 0.00 34.95 30.56 2kb5 s ARG 61 CO -0.07 -0.93 1.29 0.00 -1.08 0.00 0.00 175.30 174.50 2kb5 h PRO 63 N 1.55 0.00 0.00 0.00 0.13 -1.94 -2.71 132.00 129.03 2kb5 h PRO 63 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kb5 h PRO 63 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kb5 h PRO 63 CO 0.58 0.43 0.00 0.45 -0.23 0.00 0.00 178.00 179.23 2kb5 h HIS 64 N 0.00 0.00 -3.11 1.56 3.86 -1.95 -3.40 115.15 112.11 2kb5 h HIS 64 Ca -0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.92 2kb5 h HIS 64 Cb 0.82 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.94 2kb5 h HIS 64 CO 0.00 0.00 -0.63 -0.80 0.86 0.00 0.00 177.93 177.36 2kb5 s ASN 65 N -4.37 0.58 0.00 2.45 0.01 -1.02 -5.00 114.94 107.59 2kb5 s ASN 65 Ca 0.01 0.34 0.29 0.00 -0.71 0.00 0.00 52.86 52.79 2kb5 s ASN 65 Cb 0.08 0.27 1.26 0.00 0.41 0.00 0.00 41.25 43.28 2kb5 s ASN 65 CO 0.35 -0.23 1.87 0.54 -1.51 0.00 0.00 177.10 178.12 2kb5 n ARG 66 N 5.12 1.11 -1.98 -0.60 1.74 -1.26 -3.77 116.66 117.02 2kb5 n ARG 66 Ca -0.09 -0.46 -0.01 0.00 -0.77 0.00 0.00 57.85 56.52 2kb5 n ARG 66 Cb 0.50 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.51 2kb5 n ARG 66 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2kb5 n THR 67 N -0.54 1.14 -3.29 0.55 -2.24 -1.26 -5.01 114.28 103.62 2kb5 n THR 67 Ca 0.18 -2.50 -0.05 0.00 -2.27 0.00 0.00 64.05 59.41 2kb5 n THR 67 Cb 0.28 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 2kb5 n THR 67 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2kb5 s LEU 68 N -2.41 -0.87 -0.65 3.22 2.96 -1.25 -5.07 118.68 114.62 2kb5 s LEU 68 Ca 0.34 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.67 2kb5 s LEU 68 Cb 0.36 1.41 0.26 0.00 0.50 0.00 0.00 46.19 48.73 2kb5 s LEU 68 CO -0.08 -0.29 0.80 -0.46 -1.32 0.00 0.00 176.35 175.00 2kb5 n ASN 69 N 5.38 3.97 -0.59 3.68 0.23 -1.26 -3.24 115.26 123.43 2kb5 n ASN 69 Ca -0.02 -3.48 0.06 0.00 -0.53 0.00 0.00 54.58 50.60 2kb5 n ASN 69 Cb 0.50 -0.68 0.20 0.00 -2.08 0.00 0.00 39.78 37.73 2kb5 n ASN 69 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kb5 n ASN 70 N 0.71 1.80 -4.44 0.53 0.23 -1.26 -4.79 115.26 108.04 2kb5 n ASN 70 Ca 0.30 -3.84 -0.21 0.00 -0.53 0.00 0.00 54.58 50.30 2kb5 n ASN 70 Cb 0.40 -0.53 -0.11 0.00 -2.08 0.00 0.00 39.78 37.47 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kb5 s HIS 72 N -3.22 0.06 -0.08 0.00 3.76 -0.93 -1.43 115.29 113.45 2kb5 s HIS 72 Ca 0.34 0.22 -0.25 0.00 -0.15 0.00 0.00 55.06 55.22 2kb5 s HIS 72 Cb 0.07 -0.43 -0.03 0.00 1.11 0.00 0.00 32.58 33.31 2kb5 s HIS 72 CO 0.14 -0.17 0.79 0.50 -0.85 0.00 0.00 174.74 175.15 2kb5 s ARG 73 N 1.89 4.42 0.21 1.40 3.52 -1.26 -3.47 118.95 125.67 2kb5 s ARG 73 Ca 0.01 1.01 -0.32 0.00 -0.13 0.00 0.00 55.73 56.31 2kb5 s ARG 73 Cb -0.12 -3.49 -0.14 0.00 -1.56 0.00 0.00 34.95 29.64 2kb5 s ARG 73 CO -0.03 -0.07 1.42 -1.13 -0.81 0.00 0.00 175.30 174.68 2kb5 n SER 74 N 4.21 2.66 0.16 -2.12 3.41 -0.89 -4.88 113.62 116.16 2kb5 n SER 74 Ca 0.02 1.13 0.07 0.00 -0.26 0.00 0.00 58.87 59.83 2kb5 n SER 74 Cb 0.51 -1.40 0.08 0.00 -0.26 0.00 0.00 64.21 63.13 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 4.47 0.00 -6.02 4.33 0.11 -1.93 -3.43 114.38 111.92 2kb5 h ARG 75 Ca -0.45 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.04 2kb5 h ARG 75 Cb 1.28 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.31 2kb5 h ARG 75 CO 0.78 0.24 -0.51 -0.06 0.10 0.00 0.00 179.97 180.52 2kb5 s PHE 76 N -3.09 3.43 0.15 4.08 0.08 -1.26 -5.09 117.98 116.28 2kb5 s PHE 76 Ca 0.04 0.16 -0.05 0.00 0.12 0.00 0.00 56.93 57.20 2kb5 s PHE 76 Cb 0.07 -1.69 -0.06 0.00 -0.57 0.00 0.00 43.02 40.77 2kb5 s PHE 76 CO 0.72 0.55 0.40 1.03 -0.10 0.00 0.00 175.22 177.82 2kb5 s ARG 77 N -2.78 3.64 -0.01 0.44 3.00 -1.26 -4.58 118.95 117.40 2kb5 s ARG 77 Ca 0.34 -0.05 -0.25 0.00 0.00 0.00 0.00 55.73 55.77 2kb5 s ARG 77 Cb -0.12 -2.82 0.05 0.00 0.00 0.00 0.00 34.95 32.06 2kb5 s ARG 77 CO 0.27 0.45 0.55 0.14 0.00 0.00 0.00 175.30 176.71 2kb5 s VAL 78 N -1.68 0.02 -0.19 3.52 -7.23 -1.15 -4.96 120.40 108.73 2kb5 s VAL 78 Ca 0.42 -0.18 -0.29 0.00 -1.81 0.00 0.00 61.98 60.12 2kb5 s VAL 78 Cb -0.12 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2kb5 s VAL 78 CO 0.24 -0.10 1.59 -2.16 -0.31 0.00 0.00 175.10 174.37 2kb5 s PRO 79 N -1.70 3.89 0.46 4.82 0.04 -1.26 -2.29 135.00 138.96 2kb5 s PRO 79 Ca -0.09 1.74 0.05 0.00 0.04 0.00 0.00 61.00 62.74 2kb5 s PRO 79 Cb -0.01 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 2kb5 s PRO 79 CO 0.04 -1.18 0.08 -0.48 0.04 0.00 0.00 177.00 175.51 2kb5 s LEU 80 N 4.88 2.70 -0.00 -3.56 0.05 0.14 -2.15 118.68 120.74 2kb5 s LEU 80 Ca 0.70 -1.40 0.03 0.00 0.05 0.00 0.00 54.13 53.51 2kb5 s LEU 80 Cb -0.26 -0.98 -0.01 0.00 -2.05 0.00 0.00 46.19 42.89 2kb5 s LEU 80 CO 0.28 -0.68 -0.09 -0.22 -0.55 0.00 0.00 176.35 175.09 2kb5 s LEU 81 N -3.87 2.04 -0.20 1.48 1.98 0.14 -2.19 118.68 118.07 2kb5 s LEU 81 Ca 0.26 -0.20 -0.04 0.00 -2.89 0.00 0.00 54.13 51.26 2kb5 s LEU 81 Cb 0.05 -0.45 -0.01 0.00 0.66 0.00 0.00 46.19 46.43 2kb5 s LEU 81 CO 0.14 0.09 -0.04 -1.00 -1.89 0.00 0.00 176.35 173.64 2kb5 s HIS 82 N -0.31 2.96 -0.57 5.38 3.76 -0.73 -0.77 115.29 125.00 2kb5 s HIS 82 Ca 0.03 -0.76 -0.03 0.00 -0.15 0.00 0.00 55.06 54.15 2kb5 s HIS 82 Cb -0.04 -2.06 0.15 0.00 1.11 0.00 0.00 32.58 31.74 2kb5 s HIS 82 CO -0.00 -0.41 0.38 0.00 -0.85 0.00 0.00 174.74 173.86 2kb5 s ASP 84 N 0.99 6.23 -0.27 0.00 2.15 -1.18 0.33 116.67 124.93 2kb5 s ASP 84 Ca 0.15 0.26 -0.34 0.00 0.43 0.00 0.00 52.55 53.04 2kb5 s ASP 84 Cb -0.21 -2.18 -0.11 0.00 -0.30 0.00 0.00 42.92 40.12 2kb5 s ASP 84 CO -0.04 -0.10 2.09 -0.11 -0.17 0.00 0.00 175.17 176.85 2kb5 n LEU 85 N 4.92 2.61 -0.04 -1.34 7.94 -0.72 -0.04 117.00 130.33 2kb5 n LEU 85 Ca -0.10 0.56 -0.09 0.00 -1.11 0.00 0.00 56.01 55.26 2kb5 n LEU 85 Cb 0.51 -1.32 -0.03 0.00 0.53 0.00 0.00 43.42 43.11 2kb5 n LEU 85 CO 0.37 -0.55 0.92 0.40 -1.11 0.00 0.00 177.39 177.42 2kb5 h ILE 86 N 6.60 0.98 -2.34 1.96 2.04 -0.50 -3.40 117.51 122.85 2kb5 h ILE 86 Ca -0.35 -0.07 -0.58 0.00 1.00 0.00 0.00 64.86 64.86 2kb5 h ILE 86 Cb 1.30 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2kb5 h ILE 86 CO 0.99 0.04 1.37 0.20 0.00 0.00 0.00 178.15 180.74 2kb5 s ASN 87 N -5.32 5.75 -0.27 1.72 0.01 -1.24 -4.92 114.94 110.67 2kb5 s ASN 87 Ca -0.13 1.67 -0.29 0.00 -0.71 0.00 0.00 52.86 53.40 2kb5 s ASN 87 Cb 0.09 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.21 2kb5 s ASN 87 CO 0.69 -1.77 1.65 -2.16 -1.51 0.00 0.00 177.10 174.01 2kb5 s PRO 88 N 5.86 3.64 0.00 -0.60 0.04 -1.26 -2.30 135.00 140.37 2kb5 s PRO 88 Ca 0.89 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2kb5 s PRO 88 Cb -0.29 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.17 2kb5 s PRO 88 CO 0.34 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.31 2kb5 n GLY 89 N 4.93 0.59 3.63 0.56 0.00 -1.26 -5.01 105.19 108.64 2kb5 n GLY 89 Ca 0.20 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 3.32 -0.62 4.61 0.00 -0.97 -4.93 121.76 121.17 2kb5 s ALA 90 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.24 2kb5 s ALA 90 Cb 0.00 -3.81 0.33 0.00 0.00 0.00 0.00 23.12 19.64 2kb5 s ALA 90 CO 0.00 -1.85 1.00 0.94 0.00 0.00 0.00 175.76 175.85 2kb5 n GLN 91 N 7.46 3.37 -3.15 0.00 7.27 -1.26 -4.81 117.38 126.26 2kb5 n GLN 91 Ca 0.16 -4.84 0.05 0.00 0.07 0.00 0.00 57.00 52.44 2kb5 n GLN 91 Cb 0.46 -2.26 -0.01 0.00 2.41 0.00 0.00 30.24 30.84 2kb5 n GLN 91 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2kb5 s ASN 92 N -3.22 -1.00 0.13 1.69 -0.87 -1.26 -4.75 114.94 105.66 2kb5 s ASN 92 Ca 0.47 0.54 0.08 0.00 -1.57 0.00 0.00 52.86 52.38 2kb5 s ASN 92 Cb 0.26 1.81 0.43 0.00 -0.02 0.00 0.00 41.25 43.73 2kb5 s ASN 92 CO -0.13 -0.19 1.20 2.30 -2.57 0.00 0.00 177.10 177.71 2kb5 n ILE 93 N 5.43 1.40 0.24 0.60 -5.35 -1.26 -2.23 119.36 118.19 2kb5 n ILE 93 Ca -0.02 0.60 -0.16 0.00 -0.27 0.00 0.00 62.75 62.90 2kb5 n ILE 93 Cb 0.53 -1.60 -0.08 0.00 -1.74 0.00 0.00 39.64 36.75 2kb5 n ILE 93 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2kb5 h SER 94 N 0.00 -0.87 -0.90 7.28 0.87 -1.94 -3.32 113.55 114.66 2kb5 h SER 94 Ca 0.00 0.07 -0.42 0.00 -1.23 0.00 0.00 61.79 60.21 2kb5 h SER 94 Cb 0.14 0.29 -0.41 0.00 -0.44 0.00 0.00 62.40 61.98 2kb5 h SER 94 CO 0.00 -0.48 -0.98 0.59 -0.53 0.00 0.00 176.83 175.43 2kb5 n ASN 95 N -5.45 3.03 -4.50 6.23 3.02 -1.02 -5.04 115.26 111.53 2kb5 n ASN 95 Ca -0.10 -2.99 -0.43 0.00 -0.03 0.00 0.00 54.58 51.03 2kb5 n ASN 95 Cb 0.35 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 39.02 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb5 s ARG 97 N 3.95 4.12 0.02 0.00 1.81 -1.26 -4.92 118.95 122.67 2kb5 s ARG 97 Ca 0.28 1.31 0.02 0.00 -1.72 0.00 0.00 55.73 55.62 2kb5 s ARG 97 Cb -0.14 -2.31 -0.01 0.00 -0.45 0.00 0.00 34.95 32.04 2kb5 s ARG 97 CO 0.17 -0.15 -0.06 0.71 -0.68 0.00 0.00 175.30 175.28 2kb5 s TYR 98 N -1.93 0.56 0.28 -0.53 2.02 -1.26 0.24 117.35 116.74 2kb5 s TYR 98 Ca 0.61 -0.29 0.03 0.00 -0.37 0.00 0.00 57.07 57.05 2kb5 s TYR 98 Cb -0.16 -0.35 -0.03 0.00 -0.40 0.00 0.00 41.96 41.02 2kb5 s TYR 98 CO 0.20 -0.04 0.44 0.00 -1.57 0.00 0.00 175.55 174.58 2kb5 s ALA 99 N -0.72 3.82 -0.10 3.71 0.00 0.95 -4.59 121.76 124.83 2kb5 s ALA 99 Ca -0.04 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2kb5 s ALA 99 Cb -0.06 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 2kb5 s ALA 99 CO 0.00 0.14 -0.18 -0.51 0.00 0.00 0.00 175.76 175.21 2kb5 s ASP 100 N -3.94 3.60 -0.26 0.00 1.11 -1.26 -3.10 116.67 112.82 2kb5 s ASP 100 Ca 0.37 -0.40 -0.01 0.00 0.18 0.00 0.00 52.55 52.68 2kb5 s ASP 100 Cb -0.09 -1.32 0.13 0.00 1.07 0.00 0.00 42.92 42.71 2kb5 s ASP 100 CO 0.32 0.20 0.34 -0.60 1.18 0.00 0.00 175.17 176.62 2kb5 s ARG 101 N 0.11 0.33 0.86 8.23 3.00 -1.03 -5.00 118.95 125.45 2kb5 s ARG 101 Ca -0.09 0.23 -0.11 0.00 -1.00 0.00 0.00 55.73 54.76 2kb5 s ARG 101 Cb -0.15 -0.59 0.11 0.00 0.00 0.00 0.00 34.95 34.32 2kb5 s ARG 101 CO 0.05 -0.83 1.09 -1.25 0.00 0.00 0.00 175.30 174.37 2kb5 s PRO 102 N 2.47 1.53 0.00 5.12 0.04 -1.26 -1.77 135.00 141.13 2kb5 s PRO 102 Ca 0.10 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2kb5 s PRO 102 Cb -0.14 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2kb5 s PRO 102 CO -0.23 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.15 2kb5 n GLY 103 N -1.15 1.18 3.04 0.56 0.00 -0.93 -4.90 105.19 102.99 2kb5 n GLY 103 Ca 0.08 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2kb5 n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb5 s ARG 104 N -2.00 2.01 0.26 1.61 3.52 -1.26 0.24 118.95 123.33 2kb5 s ARG 104 Ca 0.00 -1.36 -0.15 0.00 -0.13 0.00 0.00 55.73 54.09 2kb5 s ARG 104 Cb 0.00 -2.87 0.06 0.00 -1.56 0.00 0.00 34.95 30.58 2kb5 s ARG 104 CO 0.00 -0.63 0.77 0.54 -0.81 0.00 0.00 175.30 175.17 2kb5 n ARG 105 N 4.45 0.79 -1.91 5.12 1.74 -0.97 -4.86 116.66 121.02 2kb5 n ARG 105 Ca -0.11 -1.63 -0.29 0.00 -0.77 0.00 0.00 57.85 55.05 2kb5 n ARG 105 Cb 0.42 2.09 0.20 0.00 -1.02 0.00 0.00 32.46 34.16 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 -3.85 -1.55 3.01 -1.07 -2.93 117.46 106.56 2kb5 n PHE 106 Ca -0.05 -1.18 -0.12 0.00 1.01 0.00 0.00 57.45 57.11 2kb5 n PHE 106 Cb 0.51 -1.03 -0.14 0.00 -0.01 0.00 0.00 39.48 38.81 2kb5 n PHE 106 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2kb5 s TYR 107 N -3.90 -0.06 -0.44 1.38 -0.85 -1.26 0.04 117.35 112.26 2kb5 s TYR 107 Ca 0.75 0.15 -0.13 0.00 -0.52 0.00 0.00 57.07 57.33 2kb5 s TYR 107 Cb -0.02 0.01 0.07 0.00 0.38 0.00 0.00 41.96 42.40 2kb5 s TYR 107 CO 0.53 -0.03 0.33 0.08 -1.52 0.00 0.00 175.55 174.93 2kb5 s VAL 108 N 0.11 4.78 -0.03 -3.49 1.01 0.26 -2.10 120.40 120.93 2kb5 s VAL 108 Ca -0.01 -1.20 0.07 0.00 0.00 0.00 0.00 61.98 60.85 2kb5 s VAL 108 Cb -0.01 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2kb5 s VAL 108 CO -0.00 -0.53 -0.24 0.68 0.00 0.00 0.00 175.10 175.00 2kb5 s VAL 109 N 1.55 1.93 -0.37 2.92 -7.23 -1.23 0.28 120.40 118.25 2kb5 s VAL 109 Ca 0.04 -1.03 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 2kb5 s VAL 109 Cb -0.23 -1.61 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 2kb5 s VAL 109 CO 0.05 0.55 0.30 0.00 -0.31 0.00 0.00 175.10 175.68 2kb5 s ALA 110 N -0.46 3.49 -0.06 1.32 0.00 0.91 -2.19 121.76 124.76 2kb5 s ALA 110 Ca 0.06 -1.47 -0.19 0.00 0.00 0.00 0.00 51.96 50.36 2kb5 s ALA 110 Cb -0.10 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 2kb5 s ALA 110 CO 0.00 -1.20 0.53 0.00 0.00 0.00 0.00 175.76 175.08 2kb5 s ASP 112 N 0.13 1.45 0.01 0.00 2.15 -0.74 -4.85 116.67 114.81 2kb5 s ASP 112 Ca 0.28 -1.12 -0.34 0.00 0.43 0.00 0.00 52.55 51.80 2kb5 s ASP 112 Cb -0.17 0.07 -0.13 0.00 -0.30 0.00 0.00 42.92 42.39 2kb5 s ASP 112 CO 0.14 -0.49 1.73 0.59 -0.17 0.00 0.00 175.17 176.97 2kb5 n ASN 113 N -0.24 3.19 -4.84 -0.34 4.13 -1.26 -2.88 115.26 113.02 2kb5 n ASN 113 Ca -0.08 1.03 -0.27 0.00 1.68 0.00 0.00 54.58 56.94 2kb5 n ASN 113 Cb 0.62 -1.38 -0.03 0.00 -1.54 0.00 0.00 39.78 37.45 2kb5 n ASN 113 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb5 s ARG 114 N 2.66 2.25 0.04 3.52 1.04 -1.24 -4.96 118.95 122.27 2kb5 s ARG 114 Ca 0.87 -2.03 -0.25 0.00 -1.04 0.00 0.00 55.73 53.27 2kb5 s ARG 114 Cb -0.71 -1.98 -0.05 0.00 -2.04 0.00 0.00 34.95 30.16 2kb5 s ARG 114 CO 0.47 -0.45 0.78 0.34 -0.04 0.00 0.00 175.30 176.40 2kb5 s ASP 115 N -4.12 7.23 0.00 -2.89 -1.08 -1.26 -4.93 116.67 109.61 2kb5 s ASP 115 Ca 0.31 1.47 0.10 0.00 -0.52 0.00 0.00 52.55 53.90 2kb5 s ASP 115 Cb -0.00 -2.48 0.59 0.00 -1.46 0.00 0.00 42.92 39.57 2kb5 s ASP 115 CO 0.18 -0.01 1.03 -0.81 0.52 0.00 0.00 175.17 176.09 2kb5 n PRO 116 N 2.89 0.49 0.00 4.34 -0.04 -1.26 -2.11 135.00 139.31 2kb5 n PRO 116 Ca -0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 2kb5 n PRO 116 Cb 0.50 -1.32 0.18 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.82 0.22 -0.04 0.54 1.85 -1.26 -3.96 116.66 113.19 2kb5 n ARG 117 Ca 0.07 -0.15 -0.07 0.00 -1.00 0.00 0.00 57.85 56.71 2kb5 n ARG 117 Cb 0.03 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 29.92 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 -1.26 1.09 -3.69 2.89 9.92 -0.90 -4.91 116.55 119.68 2kb5 n ASP 118 Ca 0.07 0.06 -0.28 0.00 -0.53 0.00 0.00 54.79 54.11 2kb5 n ASP 118 Cb 0.34 -0.19 -0.12 0.00 -0.64 0.00 0.00 41.12 40.52 2kb5 n ASP 118 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2kb5 s SER 119 N -5.46 3.44 0.28 -2.24 0.15 -1.17 -4.94 113.70 103.76 2kb5 s SER 119 Ca -0.10 -3.35 0.06 0.00 0.70 0.00 0.00 55.95 53.26 2kb5 s SER 119 Cb 0.04 -1.12 0.40 0.00 -1.71 0.00 0.00 66.02 63.63 2kb5 s SER 119 CO 0.13 -0.15 1.66 1.55 1.20 0.00 0.00 173.24 177.64 2kb5 h PRO 120 N 5.74 0.23 0.02 5.44 0.13 -1.84 -3.25 132.00 138.47 2kb5 h PRO 120 Ca 0.16 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2kb5 h PRO 120 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2kb5 h PRO 120 CO 0.56 0.65 -0.01 0.07 -0.23 0.00 0.00 178.00 179.04 2kb5 h ARG 121 N 0.19 -0.02 -5.65 0.86 -0.00 -1.92 -3.43 114.38 104.41 2kb5 h ARG 121 Ca 0.01 0.00 -0.58 0.00 -0.00 0.00 0.00 59.98 59.41 2kb5 h ARG 121 Cb 0.89 0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 30.78 2kb5 h ARG 121 CO 0.07 0.56 -0.15 0.71 -0.00 0.00 0.00 179.97 181.16 2kb5 s TYR 122 N -3.82 3.47 -0.02 4.08 1.51 -1.23 -5.00 117.35 116.34 2kb5 s TYR 122 Ca -0.16 0.81 -0.25 0.00 -1.01 0.00 0.00 57.07 56.46 2kb5 s TYR 122 Cb 0.01 -2.54 -0.19 0.00 -0.11 0.00 0.00 41.96 39.12 2kb5 s TYR 122 CO 0.66 0.12 1.22 -1.00 -1.11 0.00 0.00 175.55 175.44 2kb5 h PRO 123 N 6.89 -0.07 -6.22 -1.71 0.13 -1.84 -3.44 132.00 125.74 2kb5 h PRO 123 Ca -0.39 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.19 2kb5 h PRO 123 Cb 1.17 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2kb5 h PRO 123 CO 0.75 0.39 -0.63 0.54 -0.23 0.00 0.00 178.00 178.82 2kb5 s VAL 124 N -4.22 3.59 0.04 1.56 0.11 -1.26 -3.63 120.40 116.58 2kb5 s VAL 124 Ca -0.15 -1.81 -0.10 0.00 -2.93 0.00 0.00 61.98 56.98 2kb5 s VAL 124 Cb 0.02 -2.91 0.01 0.00 -1.53 0.00 0.00 36.38 31.96 2kb5 s VAL 124 CO 0.64 -0.35 0.21 0.68 -3.33 0.00 0.00 175.10 172.95 2kb5 s VAL 125 N -2.25 0.10 -0.05 2.04 -7.23 -1.14 -4.93 120.40 106.95 2kb5 s VAL 125 Ca 0.31 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 2kb5 s VAL 125 Cb -0.07 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.95 2kb5 s VAL 125 CO 0.20 -0.46 1.49 -2.16 -0.31 0.00 0.00 175.10 173.86 2kb5 s PRO 126 N -2.44 4.23 -0.02 4.82 0.04 -1.26 -1.79 135.00 138.57 2kb5 s PRO 126 Ca -0.06 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.03 2kb5 s PRO 126 Cb -0.02 -3.77 0.05 0.00 0.04 0.00 0.00 34.50 30.80 2kb5 s PRO 126 CO -0.03 -0.72 0.89 1.33 0.04 0.00 0.00 177.00 178.51 2kb5 n VAL 127 N 5.11 0.78 -3.64 -0.36 0.24 -0.69 -4.57 118.33 115.20 2kb5 n VAL 127 Ca 0.15 -0.84 -0.10 0.00 -2.04 0.00 0.00 64.34 61.52 2kb5 n VAL 127 Cb 0.43 0.52 -0.07 0.00 -1.47 0.00 0.00 33.84 33.25 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 -0.94 -0.61 -0.22 6.34 5.65 -1.23 -4.97 115.29 119.31 2kb5 s HIS 128 Ca 0.05 1.44 0.01 0.00 0.25 0.00 0.00 55.06 56.82 2kb5 s HIS 128 Cb 0.05 0.36 0.05 0.00 -1.18 0.00 0.00 32.58 31.85 2kb5 s HIS 128 CO 0.00 -0.30 -0.10 -1.17 -0.65 0.00 0.00 174.74 172.52 2kb5 s LEU 129 N 0.49 2.61 -0.01 8.88 1.98 -1.26 -0.06 118.68 131.31 2kb5 s LEU 129 Ca 0.00 -1.05 -0.22 0.00 -2.89 0.00 0.00 54.13 49.97 2kb5 s LEU 129 Cb -0.05 -1.32 -0.13 0.00 0.66 0.00 0.00 46.19 45.35 2kb5 s LEU 129 CO -0.06 -0.16 0.96 -0.78 -1.89 0.00 0.00 176.35 174.41 2kb5 h ASP 130 N 7.92 -0.48 -1.51 3.68 1.82 -0.56 -3.49 116.42 123.80 2kb5 h ASP 130 Ca -0.25 -0.10 0.12 0.00 -0.39 0.00 0.00 57.03 56.41 2kb5 h ASP 130 Cb 1.08 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.19 2kb5 h ASP 130 CO 0.47 -0.05 0.38 1.07 -1.61 0.00 0.00 179.24 179.49 2kb5 n THR 131 N -5.17 0.00 -3.82 2.25 5.66 -1.25 -5.01 114.28 106.95 2kb5 n THR 131 Ca -0.09 -0.24 -0.28 0.00 -3.05 0.00 0.00 64.05 60.40 2kb5 n THR 131 Cb 0.28 0.39 -0.16 0.00 -1.55 0.00 0.00 70.33 69.28 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 -2.23 0.85 0.00 1.09 -4.23 -1.26 -0.57 115.64 109.29 2kb5 s THR 132 Ca 0.14 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 2kb5 s THR 132 Cb -0.01 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.65 2kb5 s THR 132 CO 0.02 -0.03 0.00 0.00 -0.54 0.00 0.00 174.62 174.07