#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 0.35 0.24 5.56 0.04 -1.26 -4.97 135.00 134.96 2kb5 s PRO 2 Ca 0.00 0.50 0.01 0.00 0.04 0.00 0.00 61.00 61.55 2kb5 s PRO 2 Cb 0.00 -1.73 0.27 0.00 0.04 0.00 0.00 34.50 33.08 2kb5 s PRO 2 CO 0.00 -2.78 1.61 -1.00 0.04 0.00 0.00 177.00 174.87 2kb5 h PRO 3 N -1.93 0.45 -0.70 0.56 0.13 -1.96 -3.15 132.00 125.40 2kb5 h PRO 3 Ca -0.55 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.34 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 0.58 0.81 0.41 -0.56 -0.23 0.00 0.00 178.00 179.00 2kb5 h GLN 4 N 0.37 0.96 -5.75 0.86 3.07 -2.04 -3.41 115.11 109.17 2kb5 h GLN 4 Ca 0.03 -0.10 -0.66 0.00 0.09 0.00 0.00 58.65 58.01 2kb5 h GLN 4 Cb 0.92 -0.20 -0.21 0.00 0.08 0.00 0.00 27.48 28.08 2kb5 h GLN 4 CO 0.08 0.69 -0.69 -0.06 0.09 0.00 0.00 178.83 178.94 2kb5 s PHE 5 N -5.93 2.96 0.58 0.06 0.08 -1.19 -5.12 117.98 109.43 2kb5 s PHE 5 Ca -0.13 -0.15 -0.10 0.00 0.12 0.00 0.00 56.93 56.67 2kb5 s PHE 5 Cb 0.14 -1.82 0.15 0.00 -0.57 0.00 0.00 43.02 40.92 2kb5 s PHE 5 CO 0.79 0.15 0.43 0.25 -0.10 0.00 0.00 175.22 176.74 2kb5 n THR 6 N 2.82 0.00 0.30 0.64 -2.24 -1.26 -4.09 114.28 110.45 2kb5 n THR 6 Ca -0.18 -0.12 0.13 0.00 -2.27 0.00 0.00 64.05 61.62 2kb5 n THR 6 Cb 0.53 -0.81 0.33 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.00 0.00 -0.78 2.47 -1.94 -3.11 114.38 111.02 2kb5 h ARG 7 Ca -0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 2kb5 h ARG 7 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2kb5 h ARG 7 CO 0.11 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.64 2kb5 n ALA 8 N -2.04 0.00 -0.51 0.04 0.00 -1.26 -3.38 120.51 113.37 2kb5 n ALA 8 Ca 0.03 -0.12 0.44 0.00 0.00 0.00 0.00 53.44 53.80 2kb5 n ALA 8 Cb 0.45 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.65 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 0.04 0.00 3.07 -1.86 1.25 115.11 117.61 2kb5 h GLN 9 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.48 2kb5 h GLN 9 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.58 2kb5 h GLN 9 CO 0.00 0.00 -1.05 2.35 0.09 0.00 0.00 178.83 180.22 2kb5 h TRP 10 N 0.00 0.98 -0.23 0.06 -0.00 -1.73 -2.51 115.95 112.52 2kb5 h TRP 10 Ca 0.75 -0.56 0.06 0.00 -0.00 0.00 0.00 58.89 59.13 2kb5 h TRP 10 Cb 3.19 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.16 32.19 2kb5 h TRP 10 CO 0.00 1.40 -0.14 0.35 -0.00 0.00 0.00 178.44 180.05 2kb5 h PHE 11 N 0.29 -0.36 0.00 2.65 3.04 0.16 -1.19 116.94 121.53 2kb5 h PHE 11 Ca -0.14 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.74 2kb5 h PHE 11 Cb 1.72 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 40.41 2kb5 h PHE 11 CO 0.11 -0.21 -0.44 0.00 -2.02 0.00 0.00 178.31 175.75 2kb5 h ALA 12 N 1.04 1.09 -0.88 2.41 0.00 -1.60 0.34 119.26 121.67 2kb5 h ALA 12 Ca 0.13 -0.40 0.12 0.00 0.00 0.00 0.00 54.91 54.75 2kb5 h ALA 12 Cb 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2kb5 h ALA 12 CO -0.31 0.55 0.57 0.82 0.00 0.00 0.00 179.25 180.87 2kb5 h ILE 13 N 0.00 0.91 0.00 0.00 1.08 -0.75 2.95 117.51 121.70 2kb5 h ILE 13 Ca -0.00 -0.27 -0.27 0.00 -0.39 0.00 0.00 64.86 63.93 2kb5 h ILE 13 Cb 0.88 0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.64 2kb5 h ILE 13 CO 0.06 0.14 -2.02 0.00 -0.69 0.00 0.00 178.15 175.64 2kb5 n GLN 14 N -4.54 1.33 0.00 2.37 10.64 -1.05 -4.43 117.38 121.70 2kb5 n GLN 14 Ca 0.16 0.02 0.13 0.00 -1.83 0.00 0.00 57.00 55.48 2kb5 n GLN 14 Cb 0.37 -1.38 0.39 0.00 -0.86 0.00 0.00 30.24 28.77 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 -2.67 0.00 -3.83 2.61 8.25 0.12 -3.92 115.22 115.79 2kb5 n HIS 15 Ca -0.26 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.06 2kb5 n HIS 15 Cb 0.95 -0.11 -0.15 0.00 1.12 0.00 0.00 29.99 31.80 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 -2.44 -0.02 -0.30 1.59 1.01 0.98 -0.14 121.20 121.89 2kb5 s ILE 16 Ca 0.26 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.93 2kb5 s ILE 16 Cb 0.19 -0.06 0.18 0.00 0.01 0.00 0.00 42.46 42.79 2kb5 s ILE 16 CO 0.50 0.05 0.94 -0.94 0.00 0.00 0.00 174.94 175.48 2kb5 s SER 17 N 0.55 -0.70 0.23 3.58 1.04 -0.59 -4.17 113.70 113.64 2kb5 s SER 17 Ca -0.05 0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.49 2kb5 s SER 17 Cb -0.07 1.52 0.25 0.00 0.10 0.00 0.00 66.02 67.83 2kb5 s SER 17 CO -0.02 -0.13 1.56 -0.07 0.98 0.00 0.00 173.24 175.56 2kb5 h LEU 18 N 7.77 -1.34 -7.31 2.42 3.38 -1.79 -3.16 115.31 115.28 2kb5 h LEU 18 Ca -0.12 0.30 -0.64 0.00 0.09 0.00 0.00 57.88 57.52 2kb5 h LEU 18 Cb 1.17 0.72 -0.41 0.00 0.09 0.00 0.00 40.66 42.23 2kb5 h LEU 18 CO -0.02 -0.29 -0.63 0.54 0.09 0.00 0.00 178.44 178.12 2kb5 s ASN 19 N -5.33 4.34 -0.37 -0.43 2.20 -1.26 -4.70 114.94 109.40 2kb5 s ASN 19 Ca -0.14 -3.13 -0.28 0.00 -0.94 0.00 0.00 52.86 48.37 2kb5 s ASN 19 Cb 0.21 -1.60 -0.01 0.00 -2.00 0.00 0.00 41.25 37.84 2kb5 s ASN 19 CO 0.72 -0.21 1.71 -2.16 -2.94 0.00 0.00 177.10 174.22 2kb5 s PRO 20 N -0.44 3.34 0.00 3.55 0.04 -1.19 -5.00 135.00 135.30 2kb5 s PRO 20 Ca 0.18 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2kb5 s PRO 20 Cb -0.23 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2kb5 s PRO 20 CO -0.03 -1.85 0.00 -0.35 0.04 0.00 0.00 177.00 174.82 2kb5 n PRO 21 N 8.40 0.39 -1.85 0.56 -0.04 -1.26 -4.87 135.00 136.33 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 -0.91 3.49 0.31 0.54 1.81 -1.26 -4.66 118.95 118.26 2kb5 s ARG 22 Ca 0.00 1.86 0.25 0.00 -1.72 0.00 0.00 55.73 56.12 2kb5 s ARG 22 Cb 0.00 -4.21 1.02 0.00 -0.45 0.00 0.00 34.95 31.30 2kb5 s ARG 22 CO 0.00 -1.68 0.99 0.00 -0.68 0.00 0.00 175.30 173.93 2kb5 h THR 24 N 0.00 0.44 0.02 0.00 2.02 -1.86 -2.84 112.91 110.68 2kb5 h THR 24 Ca 0.58 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 67.45 2kb5 h THR 24 Cb 2.06 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.86 2kb5 h THR 24 CO -0.18 0.00 -1.77 -0.38 0.37 0.00 0.00 175.52 173.56 2kb5 n ILE 25 N -5.37 1.63 0.21 3.11 5.41 0.36 -3.99 119.36 120.71 2kb5 n ILE 25 Ca -0.06 -0.78 0.16 0.00 1.00 0.00 0.00 62.75 63.07 2kb5 n ILE 25 Cb 0.28 -1.13 0.67 0.00 -0.71 0.00 0.00 39.64 38.75 2kb5 n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kb5 h ALA 26 N 0.86 1.81 -0.47 -1.39 0.00 -0.38 0.79 119.26 120.48 2kb5 h ALA 26 Ca -0.31 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.36 2kb5 h ALA 26 Cb 2.02 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 19.70 2kb5 h ALA 26 CO 0.08 -0.64 0.06 -1.33 0.00 0.00 0.00 179.25 177.43 2kb5 n MET 27 N -3.15 2.06 -0.10 0.00 2.81 -1.08 -4.58 117.12 113.08 2kb5 n MET 27 Ca 0.03 -3.13 -0.19 0.00 -1.81 0.00 0.00 57.70 52.60 2kb5 n MET 27 Cb 0.63 -1.90 -0.10 0.00 -0.71 0.00 0.00 33.22 31.15 2kb5 n MET 27 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2kb5 n ARG 28 N -1.05 0.55 0.15 0.03 1.85 0.27 -3.25 116.66 115.22 2kb5 n ARG 28 Ca 0.37 0.54 0.00 0.00 -1.00 0.00 0.00 57.85 57.76 2kb5 n ARG 28 Cb 1.15 -1.71 0.21 0.00 -1.05 0.00 0.00 32.46 31.06 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kb5 h ALA 29 N -0.63 1.03 0.09 2.89 0.00 -1.82 -3.12 119.26 117.70 2kb5 h ALA 29 Ca -0.31 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 2kb5 h ALA 29 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kb5 h ALA 29 CO -0.19 0.70 -0.04 0.82 0.00 0.00 0.00 179.25 180.54 2kb5 h ILE 30 N 0.00 0.00 -0.30 0.00 1.08 -1.81 -3.24 117.51 113.25 2kb5 h ILE 30 Ca -0.01 -0.20 0.09 0.00 -0.39 0.00 0.00 64.86 64.35 2kb5 h ILE 30 Cb 1.02 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 2kb5 h ILE 30 CO 0.07 0.00 0.87 0.78 -0.69 0.00 0.00 178.15 179.19 2kb5 h ASN 31 N -0.31 0.00 0.00 1.72 2.35 -1.67 0.59 115.58 118.26 2kb5 h ASN 31 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2kb5 h ASN 31 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2kb5 h ASN 31 CO 0.02 0.00 0.02 -3.20 -1.65 0.00 0.00 177.43 172.62 2kb5 n ASN 32 N -2.87 0.00 0.23 5.81 2.85 -1.18 -1.02 115.26 119.08 2kb5 n ASN 32 Ca 0.06 0.45 0.10 0.00 -0.11 0.00 0.00 54.58 55.09 2kb5 n ASN 32 Cb 0.98 -0.45 0.50 0.00 1.24 0.00 0.00 39.78 42.04 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 -3.91 1.20 -0.00 0.00 -3.46 116.97 110.80 2kb5 h TYR 33 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.45 2kb5 h TYR 33 Cb 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 36.71 2kb5 h TYR 33 CO 0.00 0.21 -0.18 0.54 -0.00 0.00 0.00 178.16 178.73 2kb5 n ARG 34 N -3.42 0.58 -0.43 0.10 5.12 -0.19 -4.59 116.66 113.83 2kb5 n ARG 34 Ca -0.00 -2.56 0.10 0.00 -1.93 0.00 0.00 57.85 53.46 2kb5 n ARG 34 Cb 0.40 2.39 0.31 0.00 -1.16 0.00 0.00 32.46 34.40 2kb5 n ARG 34 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 2kb5 n TRP 35 N -0.52 1.08 -4.46 -1.55 -0.00 -1.26 -4.93 117.44 105.79 2kb5 n TRP 35 Ca 0.02 -0.48 -0.23 0.00 -0.00 0.00 0.00 57.50 56.80 2kb5 n TRP 35 Cb 0.52 -0.09 -0.10 0.00 -0.00 0.00 0.00 31.31 31.64 2kb5 n TRP 35 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 2kb5 s ARG 36 N -1.39 1.65 0.58 5.87 3.52 -1.26 -4.77 118.95 123.15 2kb5 s ARG 36 Ca 0.45 -1.77 0.05 0.00 -0.13 0.00 0.00 55.73 54.33 2kb5 s ARG 36 Cb 0.26 -1.66 0.07 0.00 -1.56 0.00 0.00 34.95 32.06 2kb5 s ARG 36 CO 0.27 0.28 0.80 0.00 -0.81 0.00 0.00 175.30 175.85 2kb5 s LYS 38 N -4.76 2.86 0.14 0.00 -0.14 -1.26 -5.02 119.74 111.55 2kb5 s LYS 38 Ca 0.61 -0.78 0.16 0.00 -1.36 0.00 0.00 55.97 54.59 2kb5 s LYS 38 Cb -0.07 -2.67 -0.07 0.00 -1.68 0.00 0.00 37.83 33.33 2kb5 s LYS 38 CO 0.39 0.53 1.05 -0.91 -0.76 0.00 0.00 175.35 175.65 2kb5 h ASN 39 N 2.92 0.00 -3.05 2.83 4.21 -1.97 -3.41 115.58 117.11 2kb5 h ASN 39 Ca -0.47 0.00 0.17 0.00 1.21 0.00 0.00 56.30 57.21 2kb5 h ASN 39 Cb 1.18 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 38.10 2kb5 h ASN 39 CO 0.64 0.56 0.78 -1.58 -1.29 0.00 0.00 177.43 176.54 2kb5 s GLN 40 N -2.93 0.23 0.10 0.81 0.74 -1.26 -0.65 119.66 116.70 2kb5 s GLN 40 Ca -0.00 0.14 -0.09 0.00 0.05 0.00 0.00 55.36 55.46 2kb5 s GLN 40 Cb 0.08 0.11 -0.00 0.00 1.10 0.00 0.00 33.01 34.30 2kb5 s GLN 40 CO 0.79 -0.06 0.21 1.21 -0.55 0.00 0.00 175.29 176.89 2kb5 s ASN 41 N -0.56 0.09 -0.14 6.67 2.47 -0.03 -4.97 114.94 118.48 2kb5 s ASN 41 Ca 0.05 -0.66 -0.04 0.00 0.42 0.00 0.00 52.86 52.63 2kb5 s ASN 41 Cb -0.03 0.36 0.05 0.00 -1.45 0.00 0.00 41.25 40.18 2kb5 s ASN 41 CO -0.08 -0.75 0.08 -0.89 -3.72 0.00 0.00 177.10 171.73 2kb5 s THR 42 N -3.87 -0.04 -0.48 -5.21 2.01 -1.26 -0.84 115.64 105.95 2kb5 s THR 42 Ca 0.06 -0.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 2kb5 s THR 42 Cb 0.05 -0.50 0.07 0.00 0.01 0.00 0.00 72.50 72.12 2kb5 s THR 42 CO -0.10 -0.15 0.47 -0.36 -0.69 0.00 0.00 174.62 173.79 2kb5 s PHE 43 N 2.12 3.18 0.03 4.92 0.40 -0.80 -4.13 117.98 123.70 2kb5 s PHE 43 Ca 0.03 -0.78 -0.30 0.00 -0.60 0.00 0.00 56.93 55.27 2kb5 s PHE 43 Cb -0.15 -3.28 -0.04 0.00 0.51 0.00 0.00 43.02 40.06 2kb5 s PHE 43 CO -0.07 -0.87 1.05 -0.51 0.70 0.00 0.00 175.22 175.51 2kb5 s LEU 44 N 1.98 4.38 -1.23 -0.37 1.43 0.80 -1.62 118.68 124.05 2kb5 s LEU 44 Ca 0.08 1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 54.77 2kb5 s LEU 44 Cb -0.22 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 2kb5 s LEU 44 CO 0.09 -0.31 1.87 0.54 0.23 0.00 0.00 176.35 178.76 2kb5 n ARG 45 N 3.79 2.44 -3.49 1.70 1.74 -0.67 -1.55 116.66 120.63 2kb5 n ARG 45 Ca 0.07 -2.81 -0.10 0.00 -0.77 0.00 0.00 57.85 54.23 2kb5 n ARG 45 Cb 0.49 -3.53 -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 6.83 0.00 0.29 0.55 -1.32 -1.26 -4.69 115.64 116.03 2kb5 s THR 46 Ca 0.59 -0.08 -0.12 0.00 -1.21 0.00 0.00 61.69 60.88 2kb5 s THR 46 Cb 0.04 -1.09 -0.08 0.00 -1.51 0.00 0.00 72.50 69.86 2kb5 s THR 46 CO 0.09 0.00 0.65 0.42 -2.21 0.00 0.00 174.62 173.57 2kb5 s THR 47 N -3.47 4.81 0.39 5.08 -4.23 -1.26 -4.40 115.64 112.56 2kb5 s THR 47 Ca 0.04 0.68 0.21 0.00 -1.18 0.00 0.00 61.69 61.43 2kb5 s THR 47 Cb -0.01 -3.63 0.40 0.00 1.34 0.00 0.00 72.50 70.60 2kb5 s THR 47 CO -0.10 -0.18 1.68 0.15 -0.54 0.00 0.00 174.62 175.64 2kb5 h PHE 48 N 2.25 0.71 0.29 3.99 3.57 -1.98 0.40 116.94 126.18 2kb5 h PHE 48 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2kb5 h PHE 48 Cb 1.17 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2kb5 h PHE 48 CO 0.61 -0.12 -0.31 0.00 -2.23 0.00 0.00 178.31 176.26 2kb5 h ALA 49 N 1.70 -0.64 -0.07 2.41 0.00 -1.99 0.28 119.26 120.94 2kb5 h ALA 49 Ca 0.72 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.56 2kb5 h ALA 49 Cb 1.93 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 20.18 2kb5 h ALA 49 CO -0.45 -0.90 0.38 -0.91 0.00 0.00 0.00 179.25 177.37 2kb5 h ASN 50 N -0.64 0.00 0.17 0.00 2.35 -1.30 0.11 115.58 116.28 2kb5 h ASN 50 Ca -0.01 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.38 2kb5 h ASN 50 Cb 0.59 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 2kb5 h ASN 50 CO -0.08 0.00 -1.86 0.58 -1.65 0.00 0.00 177.43 174.42 2kb5 h VAL 51 N 0.00 0.80 -0.41 2.81 2.07 -0.96 -3.32 116.25 117.23 2kb5 h VAL 51 Ca 0.03 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 2kb5 h VAL 51 Cb 0.79 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 2kb5 h VAL 51 CO -0.00 0.88 0.13 0.58 0.02 0.00 0.00 177.57 179.18 2kb5 h VAL 52 N 0.09 1.17 0.00 2.57 2.07 0.11 -1.44 116.25 120.82 2kb5 h VAL 52 Ca -0.38 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2kb5 h VAL 52 Cb 2.07 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2kb5 h VAL 52 CO 0.14 0.21 -0.11 -1.13 0.02 0.00 0.00 177.57 176.70 2kb5 h ASN 53 N 0.59 0.00 0.71 0.57 -1.24 -1.49 -2.68 115.58 112.03 2kb5 h ASN 53 Ca 0.14 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.03 2kb5 h ASN 53 Cb 0.17 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 2kb5 h ASN 53 CO -0.01 0.11 -0.56 0.58 -1.29 0.00 0.00 177.43 176.26 2kb5 h VAL 54 N 0.00 1.29 0.00 2.57 2.07 -1.36 -2.98 116.25 117.84 2kb5 h VAL 54 Ca -0.00 -1.99 -0.09 0.00 0.82 0.00 0.00 66.70 65.43 2kb5 h VAL 54 Cb 0.58 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2kb5 h VAL 54 CO 0.01 0.55 -0.44 0.00 0.02 0.00 0.00 177.57 177.71 2kb5 n GLY 56 N 0.09 -1.26 3.92 0.00 0.00 -1.13 -4.79 105.19 102.02 2kb5 n GLY 56 Ca -0.01 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.81 5.54 -0.50 1.61 2.20 -1.01 -4.92 114.94 115.05 2kb5 s ASN 57 Ca 0.18 0.70 -0.37 0.00 -0.94 0.00 0.00 52.86 52.43 2kb5 s ASN 57 Cb 0.17 -1.66 -0.15 0.00 -2.00 0.00 0.00 41.25 37.60 2kb5 s ASN 57 CO 0.43 -1.10 2.26 1.67 -2.94 0.00 0.00 177.10 177.41 2kb5 n GLN 58 N -2.61 0.58 -1.47 3.55 0.00 -1.26 -4.88 117.38 111.29 2kb5 n GLN 58 Ca 0.05 0.14 -0.33 0.00 -0.00 0.00 0.00 57.00 56.86 2kb5 n GLN 58 Cb 0.58 -2.09 0.08 0.00 0.00 0.00 0.00 30.24 28.81 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 7.48 4.56 0.34 1.69 1.04 -1.26 -4.73 113.70 122.81 2kb5 s SER 59 Ca 1.16 2.05 0.05 0.00 0.48 0.00 0.00 55.95 59.69 2kb5 s SER 59 Cb -1.07 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 62.47 2kb5 s SER 59 CO 0.53 -2.00 0.20 0.27 0.98 0.00 0.00 173.24 173.22 2kb5 s ILE 60 N -2.43 0.23 -0.29 -1.02 -4.36 -1.00 -5.03 121.20 107.30 2kb5 s ILE 60 Ca 0.67 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.92 2kb5 s ILE 60 Cb -0.22 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 2kb5 s ILE 60 CO 0.47 0.00 0.34 -0.13 0.24 0.00 0.00 174.94 175.86 2kb5 s ARG 61 N -3.64 3.87 0.48 0.37 0.52 -1.26 -4.21 118.95 115.08 2kb5 s ARG 61 Ca 0.35 -0.16 -0.24 0.00 -0.52 0.00 0.00 55.73 55.17 2kb5 s ARG 61 Cb 0.03 -3.70 -0.07 0.00 0.52 0.00 0.00 34.95 31.73 2kb5 s ARG 61 CO 0.21 -0.34 1.31 0.00 0.02 0.00 0.00 175.30 176.51 2kb5 h PRO 63 N 2.02 0.00 0.00 0.00 0.13 -1.97 -2.79 132.00 129.39 2kb5 h PRO 63 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2kb5 h PRO 63 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kb5 h PRO 63 CO 0.60 0.42 -0.10 0.45 -0.23 0.00 0.00 178.00 179.13 2kb5 h HIS 64 N 0.00 0.00 -2.65 1.56 3.86 -1.95 -3.40 115.15 112.57 2kb5 h HIS 64 Ca -0.00 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 2kb5 h HIS 64 Cb 0.81 0.00 -0.37 0.00 1.06 0.00 0.00 27.41 28.91 2kb5 h HIS 64 CO 0.00 0.10 -0.64 -0.80 0.86 0.00 0.00 177.93 177.45 2kb5 s ASN 65 N -5.95 1.46 0.00 2.45 -0.87 -1.05 -4.99 114.94 105.98 2kb5 s ASN 65 Ca -0.02 -0.23 0.17 0.00 -1.57 0.00 0.00 52.86 51.21 2kb5 s ASN 65 Cb 0.12 0.28 1.00 0.00 -0.02 0.00 0.00 41.25 42.63 2kb5 s ASN 65 CO 0.56 -0.32 1.42 -2.11 -2.57 0.00 0.00 177.10 174.08 2kb5 n ARG 66 N 5.31 0.51 -0.01 -0.60 1.85 -1.26 -2.92 116.66 119.55 2kb5 n ARG 66 Ca -0.06 0.01 -0.02 0.00 -1.00 0.00 0.00 57.85 56.79 2kb5 n ARG 66 Cb 0.49 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.39 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 -1.02 0.17 -2.07 8.89 5.66 -1.26 -4.99 114.28 119.65 2kb5 n THR 67 Ca 0.12 -0.07 -0.43 0.00 -3.05 0.00 0.00 64.05 60.62 2kb5 n THR 67 Cb 0.06 -0.71 -0.03 0.00 -1.55 0.00 0.00 70.33 68.11 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 -4.86 4.10 -0.51 1.09 0.20 -1.15 -4.93 118.68 112.62 2kb5 s LEU 68 Ca -0.03 1.91 0.07 0.00 0.69 0.00 0.00 54.13 56.77 2kb5 s LEU 68 Cb 0.01 -3.53 0.26 0.00 -0.43 0.00 0.00 46.19 42.50 2kb5 s LEU 68 CO 0.08 -1.09 0.66 -0.46 -0.29 0.00 0.00 176.35 175.25 2kb5 n ASN 69 N 7.81 2.06 -0.55 3.68 0.23 -1.26 -3.32 115.26 123.92 2kb5 n ASN 69 Ca 0.18 -3.11 0.03 0.00 -0.53 0.00 0.00 54.58 51.15 2kb5 n ASN 69 Cb 0.44 -0.65 0.04 0.00 -2.08 0.00 0.00 39.78 37.54 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 0.97 0.73 -4.51 0.53 3.02 -1.26 -4.94 115.26 109.80 2kb5 n ASN 70 Ca 0.26 -2.33 -0.24 0.00 -0.03 0.00 0.00 54.58 52.24 2kb5 n ASN 70 Cb 0.48 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 39.26 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb5 s HIS 72 N -2.97 0.06 -0.37 0.00 3.76 -1.08 -2.37 115.29 112.32 2kb5 s HIS 72 Ca 0.34 -0.12 -0.16 0.00 -0.15 0.00 0.00 55.06 54.97 2kb5 s HIS 72 Cb 0.07 -0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.70 2kb5 s HIS 72 CO 0.16 -0.18 0.37 0.50 -0.85 0.00 0.00 174.74 174.74 2kb5 s ARG 73 N -0.94 3.37 -0.38 1.40 3.52 -1.26 -2.80 118.95 121.85 2kb5 s ARG 73 Ca -0.10 -0.58 -0.42 0.00 -0.13 0.00 0.00 55.73 54.49 2kb5 s ARG 73 Cb -0.06 -3.87 -0.18 0.00 -1.56 0.00 0.00 34.95 29.28 2kb5 s ARG 73 CO 0.00 -0.64 1.39 0.45 -0.81 0.00 0.00 175.30 175.69 2kb5 n SER 74 N 5.42 0.91 0.17 -2.12 2.88 -0.71 -4.80 113.62 115.36 2kb5 n SER 74 Ca -0.09 1.09 0.03 0.00 -1.33 0.00 0.00 58.87 58.58 2kb5 n SER 74 Cb 0.49 -0.82 0.29 0.00 -0.75 0.00 0.00 64.21 63.41 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 4.27 0.00 -5.95 -1.46 0.11 -1.92 -3.42 114.38 106.01 2kb5 h ARG 75 Ca -0.42 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.04 2kb5 h ARG 75 Cb 1.27 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.31 2kb5 h ARG 75 CO 0.85 0.45 -0.52 -0.06 0.10 0.00 0.00 179.97 180.79 2kb5 s PHE 76 N -3.65 3.47 -0.02 4.08 0.08 -1.26 -5.08 117.98 115.61 2kb5 s PHE 76 Ca -0.01 0.22 -0.18 0.00 0.12 0.00 0.00 56.93 57.08 2kb5 s PHE 76 Cb 0.12 -1.74 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 2kb5 s PHE 76 CO 0.71 0.58 0.52 1.03 -0.10 0.00 0.00 175.22 177.96 2kb5 s ARG 77 N -2.48 4.21 0.02 0.44 0.52 -1.26 -4.57 118.95 115.83 2kb5 s ARG 77 Ca 0.34 0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 56.10 2kb5 s ARG 77 Cb -0.13 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 2kb5 s ARG 77 CO 0.27 0.44 0.06 0.14 0.02 0.00 0.00 175.30 176.23 2kb5 s VAL 78 N -0.36 0.11 -0.24 3.52 -7.23 -1.19 -4.92 120.40 110.08 2kb5 s VAL 78 Ca 0.28 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 59.22 2kb5 s VAL 78 Cb -0.17 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 2kb5 s VAL 78 CO 0.15 -0.51 1.63 -2.16 -0.31 0.00 0.00 175.10 173.89 2kb5 s PRO 79 N -1.87 3.73 0.49 4.82 0.04 -1.26 -1.34 135.00 139.60 2kb5 s PRO 79 Ca -0.12 1.60 0.08 0.00 0.04 0.00 0.00 61.00 62.60 2kb5 s PRO 79 Cb -0.06 -4.06 0.03 0.00 0.04 0.00 0.00 34.50 30.46 2kb5 s PRO 79 CO -0.02 -1.38 0.56 -0.48 0.04 0.00 0.00 177.00 175.72 2kb5 s LEU 80 N 5.43 3.25 -0.03 -3.56 0.05 0.16 -1.66 118.68 122.31 2kb5 s LEU 80 Ca 0.72 -0.79 0.03 0.00 0.05 0.00 0.00 54.13 54.14 2kb5 s LEU 80 Cb -0.24 -1.92 -0.00 0.00 -2.05 0.00 0.00 46.19 41.98 2kb5 s LEU 80 CO 0.30 -0.97 -0.12 -0.22 -0.55 0.00 0.00 176.35 174.79 2kb5 s LEU 81 N -4.37 1.85 -0.19 1.48 1.98 -0.64 -1.82 118.68 116.96 2kb5 s LEU 81 Ca 0.51 -0.23 -0.05 0.00 -2.89 0.00 0.00 54.13 51.47 2kb5 s LEU 81 Cb -0.05 -0.67 -0.03 0.00 0.66 0.00 0.00 46.19 46.10 2kb5 s LEU 81 CO 0.31 0.10 0.01 -1.00 -1.89 0.00 0.00 176.35 173.88 2kb5 s HIS 82 N 0.09 3.08 -0.44 5.38 3.76 0.30 -1.91 115.29 125.56 2kb5 s HIS 82 Ca -0.02 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 2kb5 s HIS 82 Cb -0.09 -2.07 0.15 0.00 1.11 0.00 0.00 32.58 31.69 2kb5 s HIS 82 CO 0.01 -0.12 0.29 0.00 -0.85 0.00 0.00 174.74 174.07 2kb5 s ASP 84 N 0.26 6.38 -0.30 0.00 1.47 -1.01 -0.85 116.67 122.62 2kb5 s ASP 84 Ca 0.23 0.89 -0.29 0.00 1.18 0.00 0.00 52.55 54.57 2kb5 s ASP 84 Cb -0.13 -2.23 0.00 0.00 -0.34 0.00 0.00 42.92 40.23 2kb5 s ASP 84 CO -0.08 -0.42 1.28 -0.22 0.68 0.00 0.00 175.17 176.41 2kb5 s LEU 85 N -4.21 3.88 0.00 2.11 2.96 0.17 0.03 118.68 123.63 2kb5 s LEU 85 Ca 0.47 1.19 0.19 0.00 -0.22 0.00 0.00 54.13 55.76 2kb5 s LEU 85 Cb -0.10 -3.54 0.93 0.00 0.50 0.00 0.00 46.19 43.98 2kb5 s LEU 85 CO 0.37 -1.06 1.57 -0.38 -1.32 0.00 0.00 176.35 175.52 2kb5 n ILE 86 N 6.19 0.46 -3.74 6.68 5.41 -0.68 -4.02 119.36 129.64 2kb5 n ILE 86 Ca 0.14 0.11 -0.28 0.00 1.00 0.00 0.00 62.75 63.73 2kb5 n ILE 86 Cb 0.47 -0.81 -0.12 0.00 -0.71 0.00 0.00 39.64 38.47 2kb5 n ILE 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2kb5 s ASN 87 N -2.59 3.76 -0.23 4.38 2.20 -1.26 -5.00 114.94 116.20 2kb5 s ASN 87 Ca 0.17 -3.50 -0.29 0.00 -0.94 0.00 0.00 52.86 48.30 2kb5 s ASN 87 Cb 0.12 -1.25 -0.02 0.00 -2.00 0.00 0.00 41.25 38.10 2kb5 s ASN 87 CO 0.29 -0.13 1.62 -2.16 -2.94 0.00 0.00 177.10 173.77 2kb5 s PRO 88 N -0.84 3.76 0.00 3.55 0.04 -1.26 -2.35 135.00 137.91 2kb5 s PRO 88 Ca 0.26 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2kb5 s PRO 88 Cb -0.05 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2kb5 s PRO 88 CO -0.15 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2kb5 n GLY 89 N 4.71 0.57 3.88 0.56 0.00 -1.26 -5.09 105.19 108.56 2kb5 n GLY 89 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 3.28 -0.46 4.61 0.00 -0.99 -5.04 121.76 121.16 2kb5 s ALA 90 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.82 2kb5 s ALA 90 Cb 0.00 -2.79 0.27 0.00 0.00 0.00 0.00 23.12 20.60 2kb5 s ALA 90 CO 0.00 -0.26 0.63 0.94 0.00 0.00 0.00 175.76 177.07 2kb5 n GLN 91 N -1.87 1.33 -3.72 0.00 7.27 -1.26 -4.88 117.38 114.25 2kb5 n GLN 91 Ca 0.03 -3.69 -0.14 0.00 0.07 0.00 0.00 57.00 53.28 2kb5 n GLN 91 Cb 0.54 -1.59 -0.09 0.00 2.41 0.00 0.00 30.24 31.51 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 -1.81 -0.40 -0.08 1.69 4.22 -1.26 -4.92 114.94 112.39 2kb5 s ASN 92 Ca 0.38 0.63 0.16 0.00 -2.14 0.00 0.00 52.86 51.89 2kb5 s ASN 92 Cb 0.20 0.68 -0.24 0.00 1.28 0.00 0.00 41.25 43.17 2kb5 s ASN 92 CO -0.08 -0.28 0.25 2.30 -2.04 0.00 0.00 177.10 177.24 2kb5 n ILE 93 N 2.19 0.46 0.17 0.54 -5.35 -1.26 -3.97 119.36 112.14 2kb5 n ILE 93 Ca -0.16 -0.52 -0.12 0.00 -0.27 0.00 0.00 62.75 61.67 2kb5 n ILE 93 Cb 0.57 -0.18 -0.07 0.00 -1.74 0.00 0.00 39.64 38.22 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 0.00 -0.40 -1.12 7.28 0.02 -1.98 -3.27 113.55 114.07 2kb5 h SER 94 Ca -0.18 -0.15 -0.68 0.00 -0.84 0.00 0.00 61.79 59.93 2kb5 h SER 94 Cb 1.30 0.10 -0.30 0.00 0.14 0.00 0.00 62.40 63.64 2kb5 h SER 94 CO 0.01 0.01 0.71 0.59 -1.14 0.00 0.00 176.83 177.01 2kb5 n ASN 95 N -5.14 7.38 -4.52 3.07 5.03 -1.26 -4.94 115.26 114.87 2kb5 n ASN 95 Ca -0.09 -3.79 -0.43 0.00 0.87 0.00 0.00 54.58 51.14 2kb5 n ASN 95 Cb 0.28 -0.92 -0.06 0.00 -1.02 0.00 0.00 39.78 38.05 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kb5 s ARG 97 N 2.92 3.67 0.02 0.00 0.52 -1.26 -4.78 118.95 120.03 2kb5 s ARG 97 Ca 0.24 0.12 -0.03 0.00 -0.52 0.00 0.00 55.73 55.55 2kb5 s ARG 97 Cb -0.14 -2.58 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 2kb5 s ARG 97 CO 0.20 0.15 0.03 0.71 0.02 0.00 0.00 175.30 176.40 2kb5 s TYR 98 N -2.16 0.22 -0.31 -0.53 2.02 -1.26 -1.69 117.35 113.64 2kb5 s TYR 98 Ca 0.46 -0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 56.58 2kb5 s TYR 98 Cb -0.11 -0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.26 2kb5 s TYR 98 CO 0.30 -0.25 0.20 0.00 -1.57 0.00 0.00 175.55 174.23 2kb5 s ALA 99 N -1.78 3.46 0.10 3.71 0.00 0.10 -4.69 121.76 122.66 2kb5 s ALA 99 Ca -0.13 -1.25 -0.25 0.00 0.00 0.00 0.00 51.96 50.33 2kb5 s ALA 99 Cb -0.07 -2.51 -0.07 0.00 0.00 0.00 0.00 23.12 20.47 2kb5 s ALA 99 CO -0.01 -0.76 0.77 -0.51 0.00 0.00 0.00 175.76 175.25 2kb5 s ASP 100 N 1.71 7.30 -0.26 0.00 1.11 -1.25 -2.40 116.67 122.89 2kb5 s ASP 100 Ca 0.06 1.55 -0.01 0.00 0.18 0.00 0.00 52.55 54.33 2kb5 s ASP 100 Cb -0.17 -2.48 0.14 0.00 1.07 0.00 0.00 42.92 41.48 2kb5 s ASP 100 CO 0.10 0.11 0.35 -0.13 1.18 0.00 0.00 175.17 176.78 2kb5 s ARG 101 N -0.58 0.34 0.52 8.23 0.52 0.43 -4.95 118.95 123.46 2kb5 s ARG 101 Ca 0.37 0.25 -0.20 0.00 -0.52 0.00 0.00 55.73 55.62 2kb5 s ARG 101 Cb -0.22 -0.55 -0.06 0.00 0.52 0.00 0.00 34.95 34.64 2kb5 s ARG 101 CO 0.25 -0.83 1.14 -1.25 0.02 0.00 0.00 175.30 174.62 2kb5 s PRO 102 N 2.48 3.47 0.23 3.54 0.04 -1.26 -0.53 135.00 142.97 2kb5 s PRO 102 Ca 0.11 1.66 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 2kb5 s PRO 102 Cb -0.14 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 32.35 2kb5 s PRO 102 CO -0.23 -0.76 0.97 0.20 0.04 0.00 0.00 177.00 177.22 2kb5 s GLY 103 N -1.65 0.15 -0.25 0.56 0.00 -0.76 -4.91 107.32 100.46 2kb5 s GLY 103 Ca 0.70 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 45.00 2kb5 s GLY 103 CO 0.29 1.57 0.35 -1.60 0.00 0.00 0.00 173.10 173.72 2kb5 s ARG 104 N -2.30 0.33 0.20 2.90 3.52 -1.26 0.36 118.95 122.70 2kb5 s ARG 104 Ca 0.19 0.40 -0.14 0.00 -0.13 0.00 0.00 55.73 56.06 2kb5 s ARG 104 Cb -0.03 -0.58 0.05 0.00 -1.56 0.00 0.00 34.95 32.83 2kb5 s ARG 104 CO 0.07 -0.71 0.69 0.54 -0.81 0.00 0.00 175.30 175.07 2kb5 n ARG 105 N 5.35 0.63 -0.71 5.12 1.74 -0.45 -4.81 116.66 123.53 2kb5 n ARG 105 Ca -0.03 -1.32 -0.16 0.00 -0.77 0.00 0.00 57.85 55.57 2kb5 n ARG 105 Cb 0.50 1.72 0.12 0.00 -1.02 0.00 0.00 32.46 33.78 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 -0.48 -3.66 -3.67 -1.55 3.72 -1.22 -3.20 117.46 107.40 2kb5 n PHE 106 Ca -0.04 -0.55 -0.10 0.00 -0.05 0.00 0.00 57.45 56.71 2kb5 n PHE 106 Cb 0.43 -0.58 -0.09 0.00 -0.94 0.00 0.00 39.48 38.31 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 -2.22 -0.76 -0.47 1.38 -0.85 -1.26 -1.78 117.35 111.39 2kb5 s TYR 107 Ca 0.38 1.64 -0.15 0.00 -0.52 0.00 0.00 57.07 58.43 2kb5 s TYR 107 Cb -0.03 0.37 0.08 0.00 0.38 0.00 0.00 41.96 42.77 2kb5 s TYR 107 CO 0.28 -0.39 0.39 0.08 -1.52 0.00 0.00 175.55 174.39 2kb5 s VAL 108 N 1.14 5.09 -0.09 -3.49 1.01 0.34 -1.74 120.40 122.66 2kb5 s VAL 108 Ca -0.07 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.77 2kb5 s VAL 108 Cb -0.06 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2kb5 s VAL 108 CO -0.11 -0.61 -0.16 0.68 0.00 0.00 0.00 175.10 174.90 2kb5 s VAL 109 N 1.60 2.82 -0.50 2.92 -7.23 -1.12 -0.35 120.40 118.54 2kb5 s VAL 109 Ca 0.04 -0.78 -0.26 0.00 -1.81 0.00 0.00 61.98 59.17 2kb5 s VAL 109 Cb -0.25 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.60 2kb5 s VAL 109 CO 0.06 0.56 1.00 0.00 -0.31 0.00 0.00 175.10 176.41 2kb5 s ALA 110 N -0.13 3.17 -0.09 1.32 0.00 0.48 -2.62 121.76 123.89 2kb5 s ALA 110 Ca -0.02 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 2kb5 s ALA 110 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 2kb5 s ALA 110 CO 0.04 -2.26 0.57 0.00 0.00 0.00 0.00 175.76 174.11 2kb5 s ASP 112 N 0.62 0.64 -0.47 0.00 1.01 0.70 -4.80 116.67 114.37 2kb5 s ASP 112 Ca 0.31 -0.09 -0.30 0.00 0.71 0.00 0.00 52.55 53.17 2kb5 s ASP 112 Cb -0.16 -0.11 -0.10 0.00 1.01 0.00 0.00 42.92 43.55 2kb5 s ASP 112 CO 0.14 0.05 2.35 -0.46 0.21 0.00 0.00 175.17 177.45 2kb5 n ASN 113 N 3.11 2.12 -4.75 0.27 6.94 -1.26 -2.51 115.26 119.19 2kb5 n ASN 113 Ca -0.15 0.01 -0.23 0.00 -0.02 0.00 0.00 54.58 54.19 2kb5 n ASN 113 Cb 0.57 -1.38 0.09 0.00 -2.36 0.00 0.00 39.78 36.70 2kb5 n ASN 113 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2kb5 s ARG 114 N 7.38 1.86 0.44 -3.83 1.81 -1.21 -4.98 118.95 120.43 2kb5 s ARG 114 Ca 1.08 -1.02 -0.25 0.00 -1.72 0.00 0.00 55.73 53.81 2kb5 s ARG 114 Cb -0.59 -2.36 -0.08 0.00 -0.45 0.00 0.00 34.95 31.48 2kb5 s ARG 114 CO 0.39 -1.30 1.39 0.34 -0.68 0.00 0.00 175.30 175.44 2kb5 s ASP 115 N -4.67 5.99 0.00 0.23 2.15 -1.26 -4.85 116.67 114.25 2kb5 s ASP 115 Ca 0.64 2.84 0.10 0.00 0.43 0.00 0.00 52.55 56.56 2kb5 s ASP 115 Cb -0.06 -2.65 0.57 0.00 -0.30 0.00 0.00 42.92 40.48 2kb5 s ASP 115 CO 0.43 -1.09 1.02 -0.81 -0.17 0.00 0.00 175.17 174.54 2kb5 n PRO 116 N -0.12 0.49 -0.05 4.34 -0.04 -1.26 -1.89 135.00 136.47 2kb5 n PRO 116 Ca 0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.44 2kb5 n PRO 116 Cb 0.42 -1.31 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.81 0.66 -0.09 0.54 1.85 -1.26 -3.87 116.66 113.67 2kb5 n ARG 117 Ca 0.07 0.14 -0.09 0.00 -1.00 0.00 0.00 57.85 56.97 2kb5 n ARG 117 Cb 0.03 -1.67 -0.15 0.00 -1.05 0.00 0.00 32.46 29.63 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 -2.86 0.40 -3.30 2.89 9.92 -0.97 -4.68 116.55 117.95 2kb5 n ASP 118 Ca -0.22 -0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.78 2kb5 n ASP 118 Cb 1.04 0.95 -0.07 0.00 -0.64 0.00 0.00 41.12 42.41 2kb5 n ASP 118 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2kb5 n SER 119 N -2.69 3.16 0.02 -2.24 2.88 -0.79 -4.91 113.62 109.04 2kb5 n SER 119 Ca -0.30 -3.34 -0.13 0.00 -1.33 0.00 0.00 58.87 53.77 2kb5 n SER 119 Cb 1.11 -0.65 -0.09 0.00 -0.75 0.00 0.00 64.21 63.83 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 3.93 -0.08 -0.27 -1.46 0.13 -1.81 -3.32 132.00 129.12 2kb5 h PRO 120 Ca 0.16 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.21 2kb5 h PRO 120 Cb 0.69 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2kb5 h PRO 120 CO 0.76 0.38 -0.18 0.07 -0.23 0.00 0.00 178.00 178.80 2kb5 h ARG 121 N -0.57 0.61 -5.43 0.86 0.11 -1.92 -3.43 114.38 104.62 2kb5 h ARG 121 Ca -0.01 -0.29 -0.63 0.00 0.10 0.00 0.00 59.98 59.15 2kb5 h ARG 121 Cb 0.49 -0.01 -0.14 0.00 1.11 0.00 0.00 29.97 31.43 2kb5 h ARG 121 CO 0.01 0.87 -0.55 0.71 0.10 0.00 0.00 179.97 181.11 2kb5 s TYR 122 N -4.50 3.31 -0.01 4.08 2.02 -1.25 -5.02 117.35 115.98 2kb5 s TYR 122 Ca -0.13 0.18 -0.25 0.00 -0.37 0.00 0.00 57.07 56.50 2kb5 s TYR 122 Cb 0.08 -2.03 -0.19 0.00 -0.40 0.00 0.00 41.96 39.42 2kb5 s TYR 122 CO 0.80 0.30 1.28 -1.00 -1.57 0.00 0.00 175.55 175.36 2kb5 h PRO 123 N 6.23 0.05 -6.31 -1.71 0.13 -1.84 -3.42 132.00 125.13 2kb5 h PRO 123 Ca -0.42 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 2kb5 h PRO 123 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 2kb5 h PRO 123 CO 0.67 0.52 -0.66 0.54 -0.23 0.00 0.00 178.00 178.85 2kb5 s VAL 124 N -4.27 3.62 0.05 1.56 0.11 -1.26 -3.33 120.40 116.88 2kb5 s VAL 124 Ca -0.16 -1.57 -0.09 0.00 -2.93 0.00 0.00 61.98 57.23 2kb5 s VAL 124 Cb 0.02 -2.85 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 2kb5 s VAL 124 CO 0.69 -0.18 0.18 0.68 -3.33 0.00 0.00 175.10 173.14 2kb5 s VAL 125 N -1.89 0.12 0.23 2.04 -7.23 -1.04 -4.87 120.40 107.76 2kb5 s VAL 125 Ca 0.28 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 59.19 2kb5 s VAL 125 Cb -0.08 -0.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.78 2kb5 s VAL 125 CO 0.19 -0.53 1.28 -2.16 -0.31 0.00 0.00 175.10 173.57 2kb5 s PRO 126 N -2.81 4.41 0.00 4.82 0.04 -1.26 -0.21 135.00 139.99 2kb5 s PRO 126 Ca -0.03 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2kb5 s PRO 126 Cb 0.00 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2kb5 s PRO 126 CO -0.05 -0.18 0.38 1.33 0.04 0.00 0.00 177.00 178.51 2kb5 n VAL 127 N 2.11 0.14 -3.57 -0.36 0.24 0.42 -4.35 118.33 112.97 2kb5 n VAL 127 Ca 0.04 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 2kb5 n VAL 127 Cb 0.43 1.32 -0.06 0.00 -1.47 0.00 0.00 33.84 34.06 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 -0.14 -0.54 -0.23 6.34 5.65 -1.24 -4.97 115.29 120.16 2kb5 s HIS 128 Ca 0.00 1.01 0.02 0.00 0.25 0.00 0.00 55.06 56.33 2kb5 s HIS 128 Cb 0.00 0.41 0.05 0.00 -1.18 0.00 0.00 32.58 31.86 2kb5 s HIS 128 CO 0.00 -0.44 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.39 2kb5 s LEU 129 N -0.87 2.81 -0.02 8.88 1.98 -1.26 -0.39 118.68 129.81 2kb5 s LEU 129 Ca -0.05 -1.17 -0.20 0.00 -2.89 0.00 0.00 54.13 49.82 2kb5 s LEU 129 Cb -0.01 -1.34 -0.12 0.00 0.66 0.00 0.00 46.19 45.39 2kb5 s LEU 129 CO 0.04 -0.19 0.84 -0.78 -1.89 0.00 0.00 176.35 174.37 2kb5 h ASP 130 N 7.89 -0.53 -1.92 3.68 1.82 -1.08 -3.49 116.42 122.78 2kb5 h ASP 130 Ca -0.22 -0.03 0.18 0.00 -0.39 0.00 0.00 57.03 56.57 2kb5 h ASP 130 Cb 1.07 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 41.18 2kb5 h ASP 130 CO 0.45 -0.11 0.54 1.07 -1.61 0.00 0.00 179.24 179.59 2kb5 n THR 131 N -5.20 0.00 -3.95 2.25 5.66 -1.25 -5.01 114.28 106.78 2kb5 n THR 131 Ca -0.09 -0.31 -0.30 0.00 -3.05 0.00 0.00 64.05 60.31 2kb5 n THR 131 Cb 0.27 0.53 -0.16 0.00 -1.55 0.00 0.00 70.33 69.42 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 -2.13 1.42 0.00 1.09 -4.23 -1.26 -0.50 115.64 110.03 2kb5 s THR 132 Ca 0.20 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 2kb5 s THR 132 Cb -0.02 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.28 2kb5 s THR 132 CO 0.02 0.14 0.14 -0.38 -0.54 0.00 0.00 174.62 174.00