#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 -4.87 135.00 129.15 2kb5 s PRO 2 Ca 0.00 0.51 0.15 0.00 0.04 0.00 0.00 61.00 61.70 2kb5 s PRO 2 Cb 0.00 -1.73 0.89 0.00 0.04 0.00 0.00 34.50 33.70 2kb5 s PRO 2 CO 0.00 -2.76 1.30 -0.35 0.04 0.00 0.00 177.00 175.23 2kb5 n PRO 3 N -4.20 0.49 -0.07 0.56 -0.04 -1.26 -2.56 135.00 127.93 2kb5 n PRO 3 Ca 0.05 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 2kb5 n PRO 3 Cb 0.57 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 2kb5 n PRO 3 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kb5 n GLN 4 N -0.97 0.69 -4.51 0.54 6.02 -1.26 -5.02 117.38 112.87 2kb5 n GLN 4 Ca 0.11 0.18 -0.25 0.00 -0.01 0.00 0.00 57.00 57.03 2kb5 n GLN 4 Cb 0.05 -1.61 -0.08 0.00 1.02 0.00 0.00 30.24 29.62 2kb5 n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2kb5 s PHE 5 N -2.54 1.79 0.20 1.08 0.08 -1.06 -5.10 117.98 112.43 2kb5 s PHE 5 Ca -0.24 -1.27 0.07 0.00 0.12 0.00 0.00 56.93 55.62 2kb5 s PHE 5 Cb 0.08 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 2kb5 s PHE 5 CO 0.71 -0.28 0.05 0.95 -0.10 0.00 0.00 175.22 176.55 2kb5 s THR 6 N -3.22 3.90 0.51 0.64 -4.23 -1.26 -3.68 115.64 108.29 2kb5 s THR 6 Ca 0.25 -1.44 0.24 0.00 -1.18 0.00 0.00 61.69 59.55 2kb5 s THR 6 Cb 0.03 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 71.10 2kb5 s THR 6 CO 0.15 -0.18 1.70 0.03 -0.54 0.00 0.00 174.62 175.77 2kb5 h ARG 7 N 2.39 0.00 0.00 3.99 3.08 -1.91 0.50 114.38 122.42 2kb5 h ARG 7 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2kb5 h ARG 7 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2kb5 h ARG 7 CO 0.60 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.50 2kb5 n ALA 8 N -1.78 0.00 0.21 0.04 0.00 -1.26 -3.25 120.51 114.48 2kb5 n ALA 8 Ca -0.02 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2kb5 n ALA 8 Cb 0.41 0.00 0.71 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 -0.30 0.00 3.07 -1.81 -0.88 115.11 115.19 2kb5 h GLN 9 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 2kb5 h GLN 9 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 2kb5 h GLN 9 CO 0.00 0.00 -0.17 2.35 0.09 0.00 0.00 178.83 181.10 2kb5 h TRP 10 N 0.00 0.59 0.10 0.06 -0.00 -0.18 -1.84 115.95 114.69 2kb5 h TRP 10 Ca 0.06 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 2kb5 h TRP 10 Cb 0.24 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 29.25 2kb5 h TRP 10 CO 0.00 0.69 -0.05 0.35 -0.00 0.00 0.00 178.44 179.43 2kb5 h PHE 11 N 0.49 -0.13 0.00 2.65 3.04 -1.13 -2.49 116.94 119.37 2kb5 h PHE 11 Ca 0.08 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.97 2kb5 h PHE 11 Cb 0.58 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 2kb5 h PHE 11 CO 0.02 -0.06 -0.29 0.00 -2.02 0.00 0.00 178.31 175.96 2kb5 h ALA 12 N 0.73 1.24 -0.99 2.41 0.00 -1.53 0.29 119.26 121.41 2kb5 h ALA 12 Ca -0.01 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.77 2kb5 h ALA 12 Cb 0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 2kb5 h ALA 12 CO 0.02 0.36 0.62 0.82 0.00 0.00 0.00 179.25 181.07 2kb5 h ILE 13 N 0.00 0.87 0.00 0.00 1.08 -0.86 3.11 117.51 121.71 2kb5 h ILE 13 Ca -0.00 -0.32 -0.28 0.00 -0.39 0.00 0.00 64.86 63.87 2kb5 h ILE 13 Cb 0.63 -0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 2kb5 h ILE 13 CO 0.04 0.17 -2.06 0.00 -0.69 0.00 0.00 178.15 175.61 2kb5 n GLN 14 N -4.66 1.48 0.00 2.37 10.64 -1.12 -4.40 117.38 121.69 2kb5 n GLN 14 Ca 0.20 -0.01 0.13 0.00 -1.83 0.00 0.00 57.00 55.49 2kb5 n GLN 14 Cb 0.40 -1.40 0.34 0.00 -0.86 0.00 0.00 30.24 28.72 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 -2.57 0.00 -3.80 2.61 8.25 0.10 -3.96 115.22 115.85 2kb5 n HIS 15 Ca -0.25 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.07 2kb5 n HIS 15 Cb 1.00 -0.14 -0.15 0.00 1.12 0.00 0.00 29.99 31.82 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 -2.59 -0.04 -0.30 1.59 1.09 1.04 -0.20 121.20 121.78 2kb5 s ILE 16 Ca 0.22 0.15 -0.10 0.00 -1.10 0.00 0.00 60.65 59.82 2kb5 s ILE 16 Cb 0.19 -0.08 0.18 0.00 -1.06 0.00 0.00 42.46 41.69 2kb5 s ILE 16 CO 0.56 0.06 0.98 -0.94 -0.10 0.00 0.00 174.94 175.50 2kb5 s SER 17 N 0.76 -0.60 0.23 3.58 1.04 -0.54 -4.16 113.70 114.00 2kb5 s SER 17 Ca -0.06 0.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.44 2kb5 s SER 17 Cb -0.09 1.45 0.24 0.00 0.10 0.00 0.00 66.02 67.73 2kb5 s SER 17 CO -0.02 -0.11 1.56 -0.07 0.98 0.00 0.00 173.24 175.58 2kb5 h LEU 18 N 7.75 -1.28 -7.37 2.42 3.38 -1.81 -3.11 115.31 115.28 2kb5 h LEU 18 Ca -0.12 0.29 -0.66 0.00 0.09 0.00 0.00 57.88 57.48 2kb5 h LEU 18 Cb 1.17 0.69 -0.39 0.00 0.09 0.00 0.00 40.66 42.23 2kb5 h LEU 18 CO -0.05 -0.29 -0.46 0.20 0.09 0.00 0.00 178.44 177.92 2kb5 s ASN 19 N -5.30 4.92 -0.37 -0.43 0.01 -1.26 -4.66 114.94 107.84 2kb5 s ASN 19 Ca -0.14 -3.23 -0.28 0.00 -0.71 0.00 0.00 52.86 48.50 2kb5 s ASN 19 Cb 0.20 -1.74 -0.01 0.00 0.41 0.00 0.00 41.25 40.11 2kb5 s ASN 19 CO 0.72 -0.24 1.71 -2.16 -1.51 0.00 0.00 177.10 175.63 2kb5 s PRO 20 N -0.60 3.33 0.00 -0.60 0.04 -1.18 -5.00 135.00 131.00 2kb5 s PRO 20 Ca 0.20 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2kb5 s PRO 20 Cb -0.18 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2kb5 s PRO 20 CO -0.06 -1.87 0.00 -0.35 0.04 0.00 0.00 177.00 174.76 2kb5 n PRO 21 N 8.42 0.54 -1.82 0.56 -0.04 -1.26 -4.86 135.00 136.54 2kb5 n PRO 21 Ca 0.21 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 2kb5 n PRO 21 Cb 0.47 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.68 3.33 0.54 0.54 1.81 -1.26 -4.74 118.95 118.49 2kb5 s ARG 22 Ca 0.00 1.78 0.32 0.00 -1.72 0.00 0.00 55.73 56.11 2kb5 s ARG 22 Cb 0.00 -4.26 1.10 0.00 -0.45 0.00 0.00 34.95 31.34 2kb5 s ARG 22 CO 0.00 -1.87 1.27 0.00 -0.68 0.00 0.00 175.30 174.02 2kb5 h THR 24 N 0.00 1.18 0.14 0.00 2.02 -1.87 -3.14 112.91 111.23 2kb5 h THR 24 Ca 0.60 -0.53 -0.35 0.00 0.77 0.00 0.00 66.41 66.90 2kb5 h THR 24 Cb 2.97 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 70.90 2kb5 h THR 24 CO -0.01 0.14 -1.89 0.40 0.37 0.00 0.00 175.52 174.53 2kb5 h ILE 25 N -0.23 0.72 -0.83 3.11 2.04 0.56 -3.35 117.51 119.54 2kb5 h ILE 25 Ca -0.00 -2.38 0.24 0.00 1.00 0.00 0.00 64.86 63.72 2kb5 h ILE 25 Cb 0.23 2.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 2kb5 h ILE 25 CO 0.00 0.86 0.94 0.00 0.00 0.00 0.00 178.15 179.96 2kb5 h ALA 26 N 0.05 2.68 -0.72 1.87 0.00 -0.53 1.70 119.26 124.31 2kb5 h ALA 26 Ca -0.40 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.17 2kb5 h ALA 26 Cb 2.01 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 19.68 2kb5 h ALA 26 CO 0.10 -1.37 0.39 0.00 0.00 0.00 0.00 179.25 178.37 2kb5 n MET 27 N -3.43 2.58 -0.01 0.00 0.00 -1.19 -4.37 117.12 110.71 2kb5 n MET 27 Ca 0.18 -2.46 -0.00 0.00 0.00 0.00 0.00 57.70 55.42 2kb5 n MET 27 Cb 1.21 -2.00 -0.00 0.00 0.00 0.00 0.00 33.22 32.43 2kb5 n MET 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kb5 h ARG 28 N 1.45 0.00 0.00 3.17 3.08 0.23 -3.21 114.38 119.10 2kb5 h ARG 28 Ca 0.38 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.38 2kb5 h ARG 28 Cb 2.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.34 2kb5 h ARG 28 CO 0.76 0.00 -0.24 0.00 -1.07 0.00 0.00 179.97 179.42 2kb5 h ALA 29 N -1.89 1.56 -0.92 0.04 0.00 -1.79 -2.89 119.26 113.37 2kb5 h ALA 29 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kb5 h ALA 29 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kb5 h ALA 29 CO 0.00 0.30 0.00 -0.89 0.00 0.00 0.00 179.25 178.66 2kb5 n ILE 30 N -4.19 0.00 0.22 0.00 -0.00 -1.26 -3.13 119.36 111.00 2kb5 n ILE 30 Ca -0.02 0.96 0.10 0.00 -0.00 0.00 0.00 62.75 63.79 2kb5 n ILE 30 Cb 0.30 -1.84 0.32 0.00 -0.00 0.00 0.00 39.64 38.43 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 -1.63 0.41 115.58 121.08 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 0.13 -3.20 -1.65 0.00 0.00 177.43 172.71 2kb5 n ASN 32 N -2.81 0.29 0.25 5.81 5.15 -1.09 -0.17 115.26 122.69 2kb5 n ASN 32 Ca 0.04 0.56 0.15 0.00 -0.60 0.00 0.00 54.58 54.73 2kb5 n ASN 32 Cb 0.92 -0.57 0.51 0.00 -0.53 0.00 0.00 39.78 40.11 2kb5 n ASN 32 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2kb5 h TYR 33 N 0.00 0.00 -3.61 1.20 -0.00 -0.36 -3.46 116.97 110.74 2kb5 h TYR 33 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.52 2kb5 h TYR 33 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.94 2kb5 h TYR 33 CO 0.00 0.04 -0.06 0.54 -0.00 0.00 0.00 178.16 178.68 2kb5 n ARG 34 N -3.13 0.70 0.00 0.10 5.12 0.76 -4.78 116.66 115.42 2kb5 n ARG 34 Ca 0.01 -2.38 0.12 0.00 -1.93 0.00 0.00 57.85 53.68 2kb5 n ARG 34 Cb 0.39 2.40 0.23 0.00 -1.16 0.00 0.00 32.46 34.32 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 -0.50 0.00 -4.42 -1.55 8.01 -1.26 -4.90 117.44 112.81 2kb5 n TRP 35 Ca -0.01 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.87 2kb5 n TRP 35 Cb 0.52 -0.05 -0.05 0.00 -2.01 0.00 0.00 31.31 29.72 2kb5 n TRP 35 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2kb5 s ARG 36 N -2.39 2.23 -0.02 -0.99 0.52 -1.26 -4.13 118.95 112.91 2kb5 s ARG 36 Ca 0.24 -2.27 0.01 0.00 -0.52 0.00 0.00 55.73 53.20 2kb5 s ARG 36 Cb 0.19 -1.75 0.01 0.00 0.52 0.00 0.00 34.95 33.92 2kb5 s ARG 36 CO 0.50 -0.48 -0.04 0.00 0.02 0.00 0.00 175.30 175.29 2kb5 n LYS 38 N 3.47 1.21 0.24 0.00 4.76 -1.26 -4.89 118.16 121.69 2kb5 n LYS 38 Ca -0.19 0.45 0.14 0.00 -2.87 0.00 0.00 58.31 55.84 2kb5 n LYS 38 Cb 0.55 -2.28 0.37 0.00 -1.84 0.00 0.00 35.03 31.82 2kb5 n LYS 38 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 2kb5 h ASN 39 N 0.93 0.00 -3.08 4.39 -0.73 -1.97 -3.41 115.58 111.71 2kb5 h ASN 39 Ca -0.49 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 57.56 2kb5 h ASN 39 Cb 1.34 0.00 -0.27 0.00 0.27 0.00 0.00 38.32 39.66 2kb5 h ASN 39 CO 0.54 0.00 -0.33 -1.10 -0.37 0.00 0.00 177.43 176.17 2kb5 s GLN 40 N -3.38 0.36 0.04 6.67 -0.21 -1.26 -1.19 119.66 120.69 2kb5 s GLN 40 Ca 0.05 0.82 0.04 0.00 0.02 0.00 0.00 55.36 56.29 2kb5 s GLN 40 Cb 0.07 0.04 -0.02 0.00 1.00 0.00 0.00 33.01 34.09 2kb5 s GLN 40 CO 0.62 -0.18 -0.12 1.21 -2.12 0.00 0.00 175.29 174.70 2kb5 s ASN 41 N 1.66 1.41 -0.10 5.90 3.84 -1.10 -4.97 114.94 121.58 2kb5 s ASN 41 Ca -0.08 -0.45 -0.03 0.00 0.21 0.00 0.00 52.86 52.51 2kb5 s ASN 41 Cb -0.09 -0.07 0.04 0.00 -0.55 0.00 0.00 41.25 40.58 2kb5 s ASN 41 CO -0.12 -0.01 0.08 -0.89 -2.79 0.00 0.00 177.10 173.36 2kb5 s THR 42 N -0.90 -0.11 -0.48 -5.21 2.01 -1.26 -0.06 115.64 109.64 2kb5 s THR 42 Ca -0.01 0.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.00 2kb5 s THR 42 Cb -0.08 -0.34 0.07 0.00 0.01 0.00 0.00 72.50 72.16 2kb5 s THR 42 CO 0.01 -0.03 0.45 -0.36 -0.69 0.00 0.00 174.62 174.00 2kb5 s PHE 43 N 2.16 3.21 -0.08 4.92 0.40 -0.54 -4.13 117.98 123.93 2kb5 s PHE 43 Ca 0.04 -0.87 -0.28 0.00 -0.60 0.00 0.00 56.93 55.21 2kb5 s PHE 43 Cb -0.14 -3.28 -0.02 0.00 0.51 0.00 0.00 43.02 40.09 2kb5 s PHE 43 CO -0.06 -0.86 0.92 -0.51 0.70 0.00 0.00 175.22 175.42 2kb5 s LEU 44 N 1.83 4.29 -1.16 -0.37 1.43 0.72 -0.72 118.68 124.69 2kb5 s LEU 44 Ca 0.06 1.46 -0.22 0.00 -1.03 0.00 0.00 54.13 54.40 2kb5 s LEU 44 Cb -0.24 -3.43 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 2kb5 s LEU 44 CO 0.07 -0.33 1.91 0.54 0.23 0.00 0.00 176.35 178.77 2kb5 n ARG 45 N 4.50 1.87 -3.46 1.70 1.74 -0.50 -1.47 116.66 121.04 2kb5 n ARG 45 Ca 0.06 -2.53 -0.11 0.00 -0.77 0.00 0.00 57.85 54.49 2kb5 n ARG 45 Cb 0.50 -3.59 -0.02 0.00 -1.02 0.00 0.00 32.46 28.32 2kb5 n ARG 45 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2kb5 s THR 46 N 9.13 0.00 0.50 0.55 -1.32 -1.26 -4.70 115.64 118.54 2kb5 s THR 46 Ca 0.64 -0.07 -0.06 0.00 -1.21 0.00 0.00 61.69 60.99 2kb5 s THR 46 Cb 0.02 -1.08 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 2kb5 s THR 46 CO 0.12 0.00 0.82 -0.89 -2.21 0.00 0.00 174.62 172.46 2kb5 s THR 47 N -3.70 4.88 0.33 5.08 2.01 -1.26 -4.43 115.64 118.55 2kb5 s THR 47 Ca 0.02 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.35 2kb5 s THR 47 Cb -0.01 -3.87 0.18 0.00 0.01 0.00 0.00 72.50 68.82 2kb5 s THR 47 CO -0.11 -0.89 1.90 0.15 -0.69 0.00 0.00 174.62 174.98 2kb5 h PHE 48 N 0.16 0.66 -0.57 4.92 3.57 -1.99 -2.60 116.94 121.10 2kb5 h PHE 48 Ca -0.47 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 60.96 2kb5 h PHE 48 Cb 1.20 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 2kb5 h PHE 48 CO 0.59 0.55 0.24 0.00 -2.23 0.00 0.00 178.31 177.46 2kb5 h ALA 49 N 1.50 0.73 0.00 2.41 0.00 -2.00 -1.18 119.26 120.73 2kb5 h ALA 49 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kb5 h ALA 49 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kb5 h ALA 49 CO -0.01 0.34 -0.03 -0.91 0.00 0.00 0.00 179.25 178.64 2kb5 h ASN 50 N 0.77 0.00 0.18 0.00 2.35 -1.87 -2.91 115.58 114.11 2kb5 h ASN 50 Ca 0.19 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.65 2kb5 h ASN 50 Cb 0.18 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.57 2kb5 h ASN 50 CO -0.02 0.03 -1.33 0.58 -1.65 0.00 0.00 177.43 175.04 2kb5 h VAL 51 N 0.00 1.23 -0.08 2.81 2.07 -1.01 -3.31 116.25 117.96 2kb5 h VAL 51 Ca -0.00 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 64.95 2kb5 h VAL 51 Cb 0.44 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 2kb5 h VAL 51 CO 0.00 0.77 0.02 0.58 0.02 0.00 0.00 177.57 178.97 2kb5 h VAL 52 N -0.09 1.05 0.00 2.57 2.07 -1.06 -0.46 116.25 120.32 2kb5 h VAL 52 Ca -0.25 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2kb5 h VAL 52 Cb 1.93 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2kb5 h VAL 52 CO 0.18 0.05 -0.06 -1.13 0.02 0.00 0.00 177.57 176.63 2kb5 h ASN 53 N 0.11 0.00 -0.03 0.57 -1.24 -1.61 -2.97 115.58 110.41 2kb5 h ASN 53 Ca 0.03 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.81 2kb5 h ASN 53 Cb 0.05 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.11 2kb5 h ASN 53 CO -0.00 0.06 -0.84 0.58 -1.29 0.00 0.00 177.43 175.94 2kb5 h VAL 54 N 0.00 1.30 0.00 2.57 2.07 -1.17 -3.07 116.25 117.96 2kb5 h VAL 54 Ca -0.00 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.43 2kb5 h VAL 54 Cb 0.59 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2kb5 h VAL 54 CO 0.01 0.65 0.00 0.00 0.02 0.00 0.00 177.57 178.25 2kb5 n GLY 56 N -0.28 2.21 3.74 0.00 0.00 -1.16 -4.90 105.19 104.80 2kb5 n GLY 56 Ca -0.00 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.66 4.70 -0.50 1.61 2.20 -0.82 -5.02 114.94 116.45 2kb5 s ASN 57 Ca 0.37 -0.76 -0.36 0.00 -0.94 0.00 0.00 52.86 51.17 2kb5 s ASN 57 Cb 0.26 -0.75 -0.15 0.00 -2.00 0.00 0.00 41.25 38.61 2kb5 s ASN 57 CO 0.14 -0.29 2.27 1.67 -2.94 0.00 0.00 177.10 177.95 2kb5 n GLN 58 N -1.15 0.62 -1.01 3.55 0.00 -1.26 -4.90 117.38 113.24 2kb5 n GLN 58 Ca -0.03 0.14 -0.29 0.00 -0.00 0.00 0.00 57.00 56.82 2kb5 n GLN 58 Cb 0.61 -2.13 0.18 0.00 0.00 0.00 0.00 30.24 28.90 2kb5 n GLN 58 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2kb5 s SER 59 N 7.59 2.46 0.29 1.69 1.04 -1.26 -4.76 113.70 120.75 2kb5 s SER 59 Ca 1.15 1.40 0.04 0.00 0.48 0.00 0.00 55.95 59.02 2kb5 s SER 59 Cb -1.04 -2.08 -0.01 0.00 0.10 0.00 0.00 66.02 62.99 2kb5 s SER 59 CO 0.52 -3.26 0.30 2.30 0.98 0.00 0.00 173.24 174.08 2kb5 n ILE 60 N -4.28 0.00 -2.35 -1.02 -5.35 -1.07 -5.02 119.36 100.28 2kb5 n ILE 60 Ca 0.05 -1.86 -0.43 0.00 -0.27 0.00 0.00 62.75 60.24 2kb5 n ILE 60 Cb 0.56 1.00 -0.02 0.00 -1.74 0.00 0.00 39.64 39.43 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 -2.98 4.27 0.37 6.28 1.70 -1.26 -4.42 118.95 122.91 2kb5 s ARG 61 Ca 0.31 1.79 -0.24 0.00 -0.47 0.00 0.00 55.73 57.11 2kb5 s ARG 61 Cb 0.01 -3.69 -0.10 0.00 -0.57 0.00 0.00 34.95 30.59 2kb5 s ARG 61 CO 0.22 -0.62 0.95 0.00 -1.08 0.00 0.00 175.30 174.77 2kb5 h PRO 63 N 2.62 0.64 0.00 0.00 0.13 -1.95 -2.87 132.00 130.57 2kb5 h PRO 63 Ca -0.48 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 2kb5 h PRO 63 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kb5 h PRO 63 CO 0.63 0.94 0.00 0.72 -0.23 0.00 0.00 178.00 180.07 2kb5 n HIS 64 N -4.31 0.36 -3.48 1.56 8.25 -1.26 -4.28 115.22 112.05 2kb5 n HIS 64 Ca -0.04 0.16 -0.21 0.00 -0.26 0.00 0.00 57.72 57.37 2kb5 n HIS 64 Cb 0.45 -0.76 -0.13 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.54 1.95 0.00 0.41 0.01 -1.08 -4.99 114.94 107.70 2kb5 s ASN 65 Ca 0.03 -0.61 0.16 0.00 -0.71 0.00 0.00 52.86 51.72 2kb5 s ASN 65 Cb 0.07 0.23 0.93 0.00 0.41 0.00 0.00 41.25 42.89 2kb5 s ASN 65 CO 0.23 -0.37 1.38 -2.11 -1.51 0.00 0.00 177.10 174.72 2kb5 n ARG 66 N 5.30 0.64 0.00 -0.60 1.85 -1.25 -3.45 116.66 119.16 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 0.47 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 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 -0.88 0.00 -2.12 8.89 5.66 -1.26 -5.01 114.28 119.55 2kb5 n THR 67 Ca 0.12 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.70 2kb5 n THR 67 Cb 0.05 -0.26 -0.03 0.00 -1.55 0.00 0.00 70.33 68.54 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 -3.96 4.37 -0.55 1.09 0.20 -1.22 -4.96 118.68 113.64 2kb5 s LEU 68 Ca 0.00 2.38 0.07 0.00 0.69 0.00 0.00 54.13 57.27 2kb5 s LEU 68 Cb 0.00 -3.59 0.27 0.00 -0.43 0.00 0.00 46.19 42.44 2kb5 s LEU 68 CO 0.00 -0.69 0.71 -0.46 -0.29 0.00 0.00 176.35 175.62 2kb5 n ASN 69 N 3.98 2.76 -0.50 3.68 0.23 -1.26 -3.56 115.26 120.59 2kb5 n ASN 69 Ca 0.12 -3.26 0.06 0.00 -0.53 0.00 0.00 54.58 50.97 2kb5 n ASN 69 Cb 0.42 -0.65 0.10 0.00 -2.08 0.00 0.00 39.78 37.57 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 0.82 1.42 -4.39 0.53 6.94 -1.26 -4.91 115.26 114.42 2kb5 n ASN 70 Ca 0.27 -2.84 -0.29 0.00 -0.02 0.00 0.00 54.58 51.70 2kb5 n ASN 70 Cb 0.45 -0.38 -0.13 0.00 -2.36 0.00 0.00 39.78 37.36 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb5 s HIS 72 N -1.01 1.64 0.26 0.00 3.76 -1.24 -2.60 115.29 116.10 2kb5 s HIS 72 Ca 0.14 -0.79 -0.08 0.00 -0.15 0.00 0.00 55.06 54.17 2kb5 s HIS 72 Cb -0.10 -1.27 -0.06 0.00 1.11 0.00 0.00 32.58 32.25 2kb5 s HIS 72 CO 0.05 -0.49 0.56 0.50 -0.85 0.00 0.00 174.74 174.52 2kb5 s ARG 73 N 1.38 3.75 0.20 1.40 3.52 -1.26 -3.49 118.95 124.44 2kb5 s ARG 73 Ca -0.00 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 2kb5 s ARG 73 Cb -0.13 -2.63 -0.09 0.00 -1.56 0.00 0.00 34.95 30.54 2kb5 s ARG 73 CO -0.05 0.26 1.30 -1.54 -0.81 0.00 0.00 175.30 174.46 2kb5 s SER 74 N -2.66 6.91 0.10 -2.12 1.04 -1.12 -4.94 113.70 110.91 2kb5 s SER 74 Ca 0.46 2.39 -0.15 0.00 0.48 0.00 0.00 55.95 59.13 2kb5 s SER 74 Cb -0.11 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.33 2kb5 s SER 74 CO 0.25 -0.52 1.45 0.08 0.98 0.00 0.00 173.24 175.48 2kb5 h ARG 75 N 5.38 0.69 -5.84 4.02 0.11 -1.95 -3.44 114.38 113.34 2kb5 h ARG 75 Ca -0.45 -0.33 -0.63 0.00 0.10 0.00 0.00 59.98 58.67 2kb5 h ARG 75 Cb 1.21 -0.01 -0.05 0.00 1.11 0.00 0.00 29.97 32.24 2kb5 h ARG 75 CO 0.77 0.93 -0.45 -0.59 0.10 0.00 0.00 179.97 180.73 2kb5 s PHE 76 N -4.50 3.56 0.12 4.08 -0.71 -1.26 -5.05 117.98 114.22 2kb5 s PHE 76 Ca -0.13 0.45 -0.29 0.00 -1.04 0.00 0.00 56.93 55.92 2kb5 s PHE 76 Cb 0.09 -1.90 -0.06 0.00 -1.21 0.00 0.00 43.02 39.94 2kb5 s PHE 76 CO 0.82 0.63 0.93 1.03 -1.34 0.00 0.00 175.22 177.29 2kb5 s ARG 77 N -1.86 4.69 0.09 1.99 0.52 -1.26 -4.64 118.95 118.48 2kb5 s ARG 77 Ca 0.27 1.40 0.05 0.00 -0.52 0.00 0.00 55.73 56.94 2kb5 s ARG 77 Cb -0.13 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 2kb5 s ARG 77 CO 0.17 0.28 -0.14 0.14 0.02 0.00 0.00 175.30 175.77 2kb5 s VAL 78 N -0.22 1.18 -0.32 3.52 -7.23 -0.90 -4.82 120.40 111.60 2kb5 s VAL 78 Ca 0.45 -1.46 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 2kb5 s VAL 78 Cb -0.23 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 2kb5 s VAL 78 CO 0.29 -0.31 1.68 -2.16 -0.31 0.00 0.00 175.10 174.30 2kb5 s PRO 79 N -2.12 3.48 0.48 4.82 0.04 -1.26 -0.80 135.00 139.65 2kb5 s PRO 79 Ca 0.02 1.37 0.07 0.00 0.04 0.00 0.00 61.00 62.50 2kb5 s PRO 79 Cb -0.08 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 30.34 2kb5 s PRO 79 CO 0.02 -1.68 0.39 -0.48 0.04 0.00 0.00 177.00 175.29 2kb5 s LEU 80 N 6.24 3.03 0.03 -3.56 0.05 0.15 -1.40 118.68 123.21 2kb5 s LEU 80 Ca 0.74 -1.02 0.05 0.00 0.05 0.00 0.00 54.13 53.96 2kb5 s LEU 80 Cb -0.21 -1.57 -0.02 0.00 -2.05 0.00 0.00 46.19 42.34 2kb5 s LEU 80 CO 0.33 -0.88 -0.15 -0.22 -0.55 0.00 0.00 176.35 174.87 2kb5 s LEU 81 N -4.20 2.14 -0.16 1.48 1.98 0.11 -1.52 118.68 118.50 2kb5 s LEU 81 Ca 0.42 -0.43 -0.01 0.00 -2.89 0.00 0.00 54.13 51.22 2kb5 s LEU 81 Cb -0.02 -0.71 -0.01 0.00 0.66 0.00 0.00 46.19 46.11 2kb5 s LEU 81 CO 0.25 0.09 -0.11 -2.28 -1.89 0.00 0.00 176.35 172.41 2kb5 s HIS 82 N -0.73 2.85 -0.45 5.38 5.65 -0.29 -1.46 115.29 126.24 2kb5 s HIS 82 Ca 0.04 -0.83 0.08 0.00 0.25 0.00 0.00 55.06 54.60 2kb5 s HIS 82 Cb -0.08 -1.93 0.26 0.00 -1.18 0.00 0.00 32.58 29.65 2kb5 s HIS 82 CO 0.01 -0.37 0.60 0.00 -0.65 0.00 0.00 174.74 174.33 2kb5 s ASP 84 N -1.61 7.09 -0.28 0.00 2.15 -1.19 -2.71 116.67 120.12 2kb5 s ASP 84 Ca 0.37 1.84 -0.28 0.00 0.43 0.00 0.00 52.55 54.91 2kb5 s ASP 84 Cb 0.18 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2kb5 s ASP 84 CO -0.09 -0.25 2.09 -0.22 -0.17 0.00 0.00 175.17 176.53 2kb5 s LEU 85 N -2.51 3.45 0.00 -1.34 2.96 -0.33 0.29 118.68 121.20 2kb5 s LEU 85 Ca 0.55 1.61 0.13 0.00 -0.22 0.00 0.00 54.13 56.20 2kb5 s LEU 85 Cb -0.17 -3.42 0.71 0.00 0.50 0.00 0.00 46.19 43.81 2kb5 s LEU 85 CO 0.22 -1.96 1.28 -0.38 -1.32 0.00 0.00 176.35 174.19 2kb5 n ILE 86 N 7.66 0.39 -3.80 6.68 5.41 0.39 -4.00 119.36 132.08 2kb5 n ILE 86 Ca 0.28 0.10 -0.32 0.00 1.00 0.00 0.00 62.75 63.80 2kb5 n ILE 86 Cb 0.46 -0.89 -0.10 0.00 -0.71 0.00 0.00 39.64 38.40 2kb5 n ILE 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2kb5 s ASN 87 N -2.33 5.15 -0.21 4.38 4.22 -1.26 -5.01 114.94 119.89 2kb5 s ASN 87 Ca 0.15 -3.49 -0.29 0.00 -2.14 0.00 0.00 52.86 47.10 2kb5 s ASN 87 Cb 0.09 -1.76 -0.03 0.00 1.28 0.00 0.00 41.25 40.83 2kb5 s ASN 87 CO 0.18 -0.19 1.60 -2.16 -2.04 0.00 0.00 177.10 174.48 2kb5 s PRO 88 N -0.97 3.85 0.00 3.55 0.04 -1.26 -2.38 135.00 137.84 2kb5 s PRO 88 Ca 0.23 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2kb5 s PRO 88 Cb -0.12 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2kb5 s PRO 88 CO -0.10 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.12 2kb5 n GLY 89 N 4.56 0.46 3.45 0.56 0.00 -1.26 -5.07 105.19 107.88 2kb5 n GLY 89 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2kb5 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb5 s ALA 90 N -2.00 2.96 -0.62 4.61 0.00 -1.00 -5.03 121.76 120.68 2kb5 s ALA 90 Ca 0.00 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.09 2kb5 s ALA 90 Cb 0.00 -1.61 0.33 0.00 0.00 0.00 0.00 23.12 21.84 2kb5 s ALA 90 CO 0.00 0.03 0.99 0.94 0.00 0.00 0.00 175.76 177.72 2kb5 n GLN 91 N 3.89 3.33 -3.96 0.00 7.27 -1.26 -4.91 117.38 121.74 2kb5 n GLN 91 Ca -0.17 -4.84 -0.31 0.00 0.07 0.00 0.00 57.00 51.75 2kb5 n GLN 91 Cb 0.52 -2.26 -0.14 0.00 2.41 0.00 0.00 30.24 30.77 2kb5 n GLN 91 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2kb5 s ASN 92 N -3.24 4.60 0.49 1.69 4.22 -1.26 -4.74 114.94 116.71 2kb5 s ASN 92 Ca 0.47 -2.59 0.29 0.00 -2.14 0.00 0.00 52.86 48.89 2kb5 s ASN 92 Cb 0.26 -1.66 1.38 0.00 1.28 0.00 0.00 41.25 42.52 2kb5 s ASN 92 CO -0.12 -0.32 1.82 0.16 -2.04 0.00 0.00 177.10 176.60 2kb5 h ILE 93 N 6.00 0.49 -0.01 0.54 3.07 -1.86 0.86 117.51 126.59 2kb5 h ILE 93 Ca -0.06 -0.05 -0.06 0.00 1.55 0.00 0.00 64.86 66.24 2kb5 h ILE 93 Cb 0.96 0.34 -0.01 0.00 -0.27 0.00 0.00 36.82 37.84 2kb5 h ILE 93 CO 0.62 0.02 -0.26 0.28 -1.05 0.00 0.00 178.15 177.76 2kb5 h SER 94 N 0.13 0.02 -0.28 2.16 0.02 -1.92 -3.13 113.55 110.56 2kb5 h SER 94 Ca 0.54 -0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 61.25 2kb5 h SER 94 Cb 1.86 -0.01 -0.31 0.00 0.14 0.00 0.00 62.40 64.09 2kb5 h SER 94 CO -0.10 0.29 -0.88 0.59 -1.14 0.00 0.00 176.83 175.59 2kb5 n ASN 95 N -4.22 2.20 -4.51 3.07 4.13 0.24 -5.03 115.26 111.14 2kb5 n ASN 95 Ca -0.02 -2.86 -0.43 0.00 1.68 0.00 0.00 54.58 52.95 2kb5 n ASN 95 Cb 0.32 -0.41 -0.04 0.00 -1.54 0.00 0.00 39.78 38.11 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb5 s ARG 97 N 4.10 4.07 0.05 0.00 0.52 -1.26 -4.88 118.95 121.55 2kb5 s ARG 97 Ca 0.29 0.64 0.06 0.00 -0.52 0.00 0.00 55.73 56.21 2kb5 s ARG 97 Cb -0.13 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 2kb5 s ARG 97 CO 0.17 0.39 -0.18 0.71 0.02 0.00 0.00 175.30 176.41 2kb5 s TYR 98 N -1.59 1.56 -0.39 -0.53 2.02 -1.26 -0.46 117.35 116.71 2kb5 s TYR 98 Ca 0.43 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.59 2kb5 s TYR 98 Cb -0.15 -0.91 0.01 0.00 -0.40 0.00 0.00 41.96 40.51 2kb5 s TYR 98 CO 0.20 0.09 0.35 0.00 -1.57 0.00 0.00 175.55 174.62 2kb5 s ALA 99 N -0.90 3.47 0.08 3.71 0.00 0.15 -4.68 121.76 123.59 2kb5 s ALA 99 Ca 0.05 -1.47 -0.30 0.00 0.00 0.00 0.00 51.96 50.24 2kb5 s ALA 99 Cb -0.09 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 2kb5 s ALA 99 CO 0.02 -1.33 1.09 0.34 0.00 0.00 0.00 175.76 175.88 2kb5 s ASP 100 N 1.74 7.24 -0.26 0.00 -1.08 -1.22 -3.16 116.67 119.94 2kb5 s ASP 100 Ca 0.09 1.92 -0.01 0.00 -0.52 0.00 0.00 52.55 54.03 2kb5 s ASP 100 Cb -0.17 -2.58 0.14 0.00 -1.46 0.00 0.00 42.92 38.84 2kb5 s ASP 100 CO 0.12 -0.31 0.35 -0.60 0.52 0.00 0.00 175.17 175.24 2kb5 s ARG 101 N 0.58 0.34 0.35 4.34 6.06 0.09 -4.94 118.95 125.77 2kb5 s ARG 101 Ca 0.53 0.23 -0.28 0.00 -2.50 0.00 0.00 55.73 53.72 2kb5 s ARG 101 Cb -0.27 -0.55 -0.09 0.00 0.06 0.00 0.00 34.95 34.10 2kb5 s ARG 101 CO 0.30 -0.84 1.21 -1.25 -2.50 0.00 0.00 175.30 172.23 2kb5 s PRO 102 N 2.48 4.30 0.34 5.12 0.04 -1.26 -1.14 135.00 144.88 2kb5 s PRO 102 Ca 0.10 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.96 2kb5 s PRO 102 Cb -0.14 -2.95 0.04 0.00 0.04 0.00 0.00 34.50 31.48 2kb5 s PRO 102 CO -0.23 -0.15 0.75 0.20 0.04 0.00 0.00 177.00 177.60 2kb5 s GLY 103 N -0.80 0.20 -0.22 0.56 0.00 -0.57 -4.96 107.32 101.53 2kb5 s GLY 103 Ca 0.51 -0.59 -0.03 0.00 0.00 0.00 0.00 44.72 44.61 2kb5 s GLY 103 CO 0.45 -0.24 0.23 -1.60 0.00 0.00 0.00 173.10 171.94 2kb5 s ARG 104 N -3.02 0.21 0.14 2.90 3.52 -1.26 0.31 118.95 121.75 2kb5 s ARG 104 Ca 0.14 0.13 -0.10 0.00 -0.13 0.00 0.00 55.73 55.76 2kb5 s ARG 104 Cb -0.05 -1.11 0.04 0.00 -1.56 0.00 0.00 34.95 32.26 2kb5 s ARG 104 CO 0.10 -0.73 0.51 0.54 -0.81 0.00 0.00 175.30 174.91 2kb5 n ARG 105 N 5.32 0.45 -0.91 5.12 1.74 0.02 -4.77 116.66 123.63 2kb5 n ARG 105 Ca -0.05 -0.95 -0.15 0.00 -0.77 0.00 0.00 57.85 55.93 2kb5 n ARG 105 Cb 0.49 1.24 0.10 0.00 -1.02 0.00 0.00 32.46 33.28 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 -0.35 -3.95 -3.68 -1.55 3.72 -1.23 -2.13 117.46 108.30 2kb5 n PHE 106 Ca -0.03 -0.58 -0.11 0.00 -0.05 0.00 0.00 57.45 56.68 2kb5 n PHE 106 Cb 0.32 -0.52 -0.09 0.00 -0.94 0.00 0.00 39.48 38.25 2kb5 n PHE 106 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2kb5 s TYR 107 N -2.41 -0.72 -0.47 1.38 -0.85 -1.26 -1.80 117.35 111.22 2kb5 s TYR 107 Ca 0.37 1.60 -0.14 0.00 -0.52 0.00 0.00 57.07 58.38 2kb5 s TYR 107 Cb -0.01 0.32 0.08 0.00 0.38 0.00 0.00 41.96 42.73 2kb5 s TYR 107 CO 0.27 -0.36 0.37 0.08 -1.52 0.00 0.00 175.55 174.39 2kb5 s VAL 108 N 0.88 4.98 -0.08 -3.49 1.01 0.40 -2.80 120.40 121.30 2kb5 s VAL 108 Ca -0.05 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.74 2kb5 s VAL 108 Cb -0.05 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2kb5 s VAL 108 CO -0.07 -0.60 -0.08 0.68 0.00 0.00 0.00 175.10 175.03 2kb5 s VAL 109 N 1.58 3.58 -0.40 2.92 -7.23 -1.23 0.07 120.40 119.69 2kb5 s VAL 109 Ca 0.04 -0.51 -0.18 0.00 -1.81 0.00 0.00 61.98 59.51 2kb5 s VAL 109 Cb -0.25 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.24 2kb5 s VAL 109 CO 0.05 0.58 0.52 0.00 -0.31 0.00 0.00 175.10 175.94 2kb5 s ALA 110 N -0.56 3.42 -0.05 1.32 0.00 0.24 -3.62 121.76 122.51 2kb5 s ALA 110 Ca 0.08 -1.28 -0.20 0.00 0.00 0.00 0.00 51.96 50.56 2kb5 s ALA 110 Cb -0.12 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2kb5 s ALA 110 CO 0.02 -1.53 0.57 0.00 0.00 0.00 0.00 175.76 174.81 2kb5 s ASP 112 N 0.22 1.07 0.17 0.00 2.15 -0.71 -4.84 116.67 114.74 2kb5 s ASP 112 Ca 0.30 -1.39 -0.34 0.00 0.43 0.00 0.00 52.55 51.56 2kb5 s ASP 112 Cb -0.17 0.20 -0.14 0.00 -0.30 0.00 0.00 42.92 42.50 2kb5 s ASP 112 CO 0.15 -0.75 1.51 -3.20 -0.17 0.00 0.00 175.17 172.71 2kb5 n ASN 113 N -0.45 2.87 -4.71 -0.34 2.85 -1.26 -2.79 115.26 111.42 2kb5 n ASN 113 Ca 0.00 1.10 -0.31 0.00 -0.11 0.00 0.00 54.58 55.26 2kb5 n ASN 113 Cb 0.66 -1.40 -0.09 0.00 1.24 0.00 0.00 39.78 40.19 2kb5 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kb5 s ARG 114 N 0.56 2.12 0.17 1.20 1.04 -1.23 -4.92 118.95 117.89 2kb5 s ARG 114 Ca 0.77 -2.31 -0.30 0.00 -1.04 0.00 0.00 55.73 52.85 2kb5 s ARG 114 Cb -0.70 -1.55 -0.08 0.00 -2.04 0.00 0.00 34.95 30.58 2kb5 s ARG 114 CO 0.41 -0.27 1.22 -0.51 -0.04 0.00 0.00 175.30 176.12 2kb5 s ASP 115 N -3.82 7.05 0.00 -2.89 1.01 -1.26 -4.89 116.67 111.86 2kb5 s ASP 115 Ca 0.15 2.23 0.10 0.00 0.71 0.00 0.00 52.55 55.74 2kb5 s ASP 115 Cb 0.04 -2.60 0.62 0.00 1.01 0.00 0.00 42.92 41.99 2kb5 s ASP 115 CO 0.08 -0.42 1.06 -0.81 0.21 0.00 0.00 175.17 175.29 2kb5 n PRO 116 N 2.80 0.49 -0.08 8.23 -0.04 -1.26 -2.30 135.00 142.83 2kb5 n PRO 116 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 2kb5 n PRO 116 Cb 0.45 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.83 0.42 -0.03 0.54 1.85 -1.26 -4.28 116.66 113.06 2kb5 n ARG 117 Ca 0.08 0.10 -0.14 0.00 -1.00 0.00 0.00 57.85 56.88 2kb5 n ARG 117 Cb 0.04 -1.33 -0.10 0.00 -1.05 0.00 0.00 32.46 30.02 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 -0.02 0.20 -3.11 2.89 5.19 -1.91 -3.39 116.42 116.27 2kb5 h ASP 118 Ca -0.37 -0.66 -0.62 0.00 -0.62 0.00 0.00 57.03 54.76 2kb5 h ASP 118 Cb 1.57 -0.06 -0.41 0.00 0.18 0.00 0.00 39.33 40.61 2kb5 h ASP 118 CO -0.06 0.83 -0.63 -0.55 -3.12 0.00 0.00 179.24 175.70 2kb5 s SER 119 N -6.13 4.33 -0.01 6.45 0.15 -0.97 -4.94 113.70 112.57 2kb5 s SER 119 Ca -0.16 -3.67 -0.25 0.00 0.70 0.00 0.00 55.95 52.58 2kb5 s SER 119 Cb 0.02 -1.47 -0.20 0.00 -1.71 0.00 0.00 66.02 62.66 2kb5 s SER 119 CO 0.73 -0.11 1.28 1.55 1.20 0.00 0.00 173.24 177.88 2kb5 h PRO 120 N 5.54 0.04 -0.35 5.44 0.13 -1.77 -3.30 132.00 137.73 2kb5 h PRO 120 Ca 0.14 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 2kb5 h PRO 120 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2kb5 h PRO 120 CO 0.67 0.52 0.07 0.07 -0.23 0.00 0.00 178.00 179.09 2kb5 h ARG 121 N -0.43 0.57 -5.10 0.86 0.11 -1.93 -3.41 114.38 105.05 2kb5 h ARG 121 Ca 0.00 -0.15 -0.63 0.00 0.10 0.00 0.00 59.98 59.31 2kb5 h ARG 121 Cb 0.51 -0.07 -0.15 0.00 1.11 0.00 0.00 29.97 31.37 2kb5 h ARG 121 CO 0.00 0.64 -0.32 0.71 0.10 0.00 0.00 179.97 181.10 2kb5 s TYR 122 N -5.24 3.25 0.23 4.08 2.02 -1.24 -4.97 117.35 115.49 2kb5 s TYR 122 Ca -0.13 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 2kb5 s TYR 122 Cb 0.09 -2.51 0.24 0.00 -0.40 0.00 0.00 41.96 39.39 2kb5 s TYR 122 CO 0.76 -0.18 1.60 -1.00 -1.57 0.00 0.00 175.55 175.15 2kb5 h PRO 123 N 8.14 0.49 -5.91 -1.71 0.13 -1.80 -3.43 132.00 127.91 2kb5 h PRO 123 Ca -0.33 -0.26 -0.55 0.00 -0.87 0.00 0.00 66.00 63.99 2kb5 h PRO 123 Cb 1.17 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2kb5 h PRO 123 CO 0.63 0.83 -0.73 0.54 -0.23 0.00 0.00 178.00 179.03 2kb5 s VAL 124 N -4.16 2.14 0.04 1.56 0.11 -1.26 -3.52 120.40 115.30 2kb5 s VAL 124 Ca -0.07 -2.30 -0.16 0.00 -2.93 0.00 0.00 61.98 56.53 2kb5 s VAL 124 Cb 0.12 -2.28 0.03 0.00 -1.53 0.00 0.00 36.38 32.72 2kb5 s VAL 124 CO 0.82 -0.42 0.36 0.68 -3.33 0.00 0.00 175.10 173.20 2kb5 s VAL 125 N -2.71 0.07 0.09 2.04 -7.23 -1.12 -4.93 120.40 106.61 2kb5 s VAL 125 Ca 0.28 -0.55 -0.31 0.00 -1.81 0.00 0.00 61.98 59.59 2kb5 s VAL 125 Cb -0.02 -0.92 -0.07 0.00 0.56 0.00 0.00 36.38 35.93 2kb5 s VAL 125 CO 0.12 -0.30 1.37 -2.16 -0.31 0.00 0.00 175.10 173.83 2kb5 s PRO 126 N -2.39 4.33 -0.01 4.82 0.04 -1.26 -1.73 135.00 138.79 2kb5 s PRO 126 Ca -0.06 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.03 2kb5 s PRO 126 Cb -0.01 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.25 2kb5 s PRO 126 CO -0.02 -0.44 0.78 1.33 0.04 0.00 0.00 177.00 178.69 2kb5 n VAL 127 N 4.06 0.39 -3.64 -0.36 0.24 -0.57 -4.58 118.33 113.87 2kb5 n VAL 127 Ca 0.11 -0.43 -0.06 0.00 -2.04 0.00 0.00 64.34 61.93 2kb5 n VAL 127 Cb 0.43 0.66 -0.07 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.49 -0.75 -0.40 6.34 5.65 -1.24 -4.97 115.29 119.43 2kb5 s HIS 128 Ca 0.03 1.55 -0.08 0.00 0.25 0.00 0.00 55.06 56.82 2kb5 s HIS 128 Cb 0.03 0.44 0.07 0.00 -1.18 0.00 0.00 32.58 31.94 2kb5 s HIS 128 CO 0.00 -0.37 0.22 -1.17 -0.65 0.00 0.00 174.74 172.78 2kb5 s LEU 129 N 1.20 4.99 0.03 8.88 1.98 -1.26 -0.59 118.68 133.91 2kb5 s LEU 129 Ca -0.07 -1.48 -0.29 0.00 -2.89 0.00 0.00 54.13 49.40 2kb5 s LEU 129 Cb -0.04 -1.95 -0.16 0.00 0.66 0.00 0.00 46.19 44.69 2kb5 s LEU 129 CO -0.14 -0.49 1.25 -0.78 -1.89 0.00 0.00 176.35 174.30 2kb5 h ASP 130 N 8.33 -0.82 -2.17 3.68 1.82 -0.75 -3.49 116.42 123.02 2kb5 h ASP 130 Ca -0.22 0.01 0.22 0.00 -0.39 0.00 0.00 57.03 56.65 2kb5 h ASP 130 Cb 1.08 0.21 -0.04 0.00 0.68 0.00 0.00 39.33 41.26 2kb5 h ASP 130 CO 0.72 -0.46 0.66 1.07 -1.61 0.00 0.00 179.24 179.62 2kb5 n THR 131 N -5.43 0.00 -3.91 2.25 5.66 -1.24 -4.93 114.28 106.67 2kb5 n THR 131 Ca -0.13 -0.34 -0.30 0.00 -3.05 0.00 0.00 64.05 60.23 2kb5 n THR 131 Cb 0.39 0.62 -0.16 0.00 -1.55 0.00 0.00 70.33 69.63 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 -2.07 1.33 0.00 1.09 -4.23 -1.26 -0.45 115.64 110.05 2kb5 s THR 132 Ca 0.24 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2kb5 s THR 132 Cb -0.02 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.24 2kb5 s THR 132 CO 0.02 -0.03 0.30 -0.38 -0.54 0.00 0.00 174.62 173.99