#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 0.33 0.00 5.56 0.04 -1.25 -4.90 135.00 134.78 2kb5 s PRO 2 Ca 0.00 0.50 0.15 0.00 0.04 0.00 0.00 61.00 61.69 2kb5 s PRO 2 Cb 0.00 -1.73 0.90 0.00 0.04 0.00 0.00 34.50 33.71 2kb5 s PRO 2 CO 0.00 -2.79 1.32 -0.35 0.04 0.00 0.00 177.00 175.21 2kb5 n PRO 3 N -4.22 0.49 -0.07 0.56 -0.04 -1.26 -2.34 135.00 128.12 2kb5 n PRO 3 Ca 0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.41 2kb5 n PRO 3 Cb 0.57 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.98 0.67 -4.63 0.54 6.02 -1.26 -4.94 117.38 112.80 2kb5 n GLN 4 Ca 0.11 0.11 -0.23 0.00 -0.01 0.00 0.00 57.00 56.99 2kb5 n GLN 4 Cb 0.05 -1.62 -0.15 0.00 1.02 0.00 0.00 30.24 29.54 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 -2.53 1.29 0.60 1.08 0.08 -0.99 -5.07 117.98 112.43 2kb5 s PHE 5 Ca -0.10 -0.30 -0.10 0.00 0.12 0.00 0.00 56.93 56.55 2kb5 s PHE 5 Cb 0.07 -0.86 0.15 0.00 -0.57 0.00 0.00 43.02 41.81 2kb5 s PHE 5 CO 0.81 -0.08 0.47 0.25 -0.10 0.00 0.00 175.22 176.58 2kb5 n THR 6 N 2.98 0.00 0.17 0.64 -2.24 -1.26 -3.93 114.28 110.63 2kb5 n THR 6 Ca -0.16 -0.16 0.04 0.00 -2.27 0.00 0.00 64.05 61.50 2kb5 n THR 6 Cb 0.54 -0.92 0.25 0.00 -2.10 0.00 0.00 70.33 68.11 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 3.08 -1.93 -2.90 114.38 111.85 2kb5 h ARG 7 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2kb5 h ARG 7 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2kb5 h ARG 7 CO 0.12 0.45 0.00 0.00 -1.07 0.00 0.00 179.97 179.47 2kb5 n ALA 8 N -2.30 0.00 -0.63 0.04 0.00 -1.26 -3.17 120.51 113.18 2kb5 n ALA 8 Ca -0.00 -0.13 0.50 0.00 0.00 0.00 0.00 53.44 53.81 2kb5 n ALA 8 Cb 0.57 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.83 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 0.14 0.00 -0.00 -1.90 1.70 115.11 115.05 2kb5 h GLN 9 Ca 0.00 -0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 2kb5 h GLN 9 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2kb5 h GLN 9 CO 0.00 0.00 -1.38 2.35 -0.00 0.00 0.00 178.83 179.81 2kb5 h TRP 10 N 0.00 0.53 0.00 0.06 -0.00 -1.71 -3.22 115.95 111.61 2kb5 h TRP 10 Ca 0.87 -0.38 0.02 0.00 -0.00 0.00 0.00 58.89 59.40 2kb5 h TRP 10 Cb 3.48 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 32.59 2kb5 h TRP 10 CO -0.00 1.35 -0.13 0.35 -0.00 0.00 0.00 178.44 180.01 2kb5 h PHE 11 N 0.08 -0.33 0.00 2.65 3.04 0.26 -1.30 116.94 121.34 2kb5 h PHE 11 Ca -0.19 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.76 2kb5 h PHE 11 Cb 2.01 0.15 -0.00 0.00 2.56 0.00 0.00 35.95 40.66 2kb5 h PHE 11 CO 0.07 -0.19 -0.08 0.00 -2.02 0.00 0.00 178.31 176.09 2kb5 h ALA 12 N 0.74 1.43 -0.41 2.41 0.00 -1.58 0.50 119.26 122.36 2kb5 h ALA 12 Ca 0.05 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2kb5 h ALA 12 Cb 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kb5 h ALA 12 CO -0.13 0.10 -0.16 0.82 0.00 0.00 0.00 179.25 179.88 2kb5 h ILE 13 N 0.00 1.26 -0.02 0.00 1.08 -1.26 3.07 117.51 121.65 2kb5 h ILE 13 Ca -0.00 -1.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 2kb5 h ILE 13 Cb 0.20 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2kb5 h ILE 13 CO 0.01 0.42 -0.19 0.00 -0.69 0.00 0.00 178.15 177.70 2kb5 n GLN 14 N -4.14 1.58 0.00 2.37 6.02 -0.81 -4.36 117.38 118.04 2kb5 n GLN 14 Ca 0.01 -1.22 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 2kb5 n GLN 14 Cb 0.40 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.32 2kb5 n GLN 14 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2kb5 n HIS 15 N 0.46 0.00 -3.85 1.08 8.25 0.17 -4.38 115.22 116.95 2kb5 n HIS 15 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 2kb5 n HIS 15 Cb 0.41 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.72 -0.01 -0.30 1.59 1.01 1.02 -0.09 121.20 123.71 2kb5 s ILE 16 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2kb5 s ILE 16 Cb 0.00 -0.02 0.19 0.00 0.01 0.00 0.00 42.46 42.64 2kb5 s ILE 16 CO 0.00 0.02 0.75 -0.94 0.00 0.00 0.00 174.94 174.76 2kb5 s SER 17 N 0.20 -1.16 0.15 3.58 1.04 -0.43 -4.14 113.70 112.94 2kb5 s SER 17 Ca -0.02 0.41 -0.23 0.00 0.48 0.00 0.00 55.95 56.59 2kb5 s SER 17 Cb -0.02 1.84 0.03 0.00 0.10 0.00 0.00 66.02 67.97 2kb5 s SER 17 CO -0.01 -0.21 1.62 -0.07 0.98 0.00 0.00 173.24 175.55 2kb5 h LEU 18 N 7.88 -0.86 -7.26 2.42 3.38 -1.81 -3.27 115.31 115.79 2kb5 h LEU 18 Ca -0.12 0.15 -0.66 0.00 0.09 0.00 0.00 57.88 57.35 2kb5 h LEU 18 Cb 1.18 0.40 -0.39 0.00 0.09 0.00 0.00 40.66 41.94 2kb5 h LEU 18 CO 0.10 -0.30 -0.40 0.54 0.09 0.00 0.00 178.44 178.48 2kb5 s ASN 19 N -5.03 5.18 -0.36 -0.43 2.20 -1.26 -4.83 114.94 110.41 2kb5 s ASN 19 Ca -0.15 -3.58 -0.28 0.00 -0.94 0.00 0.00 52.86 47.91 2kb5 s ASN 19 Cb 0.12 -1.75 -0.01 0.00 -2.00 0.00 0.00 41.25 37.61 2kb5 s ASN 19 CO 0.68 -0.17 1.71 -2.16 -2.94 0.00 0.00 177.10 174.22 2kb5 s PRO 20 N -1.10 3.35 0.00 3.55 0.04 -1.23 -5.00 135.00 134.61 2kb5 s PRO 20 Ca 0.24 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2kb5 s PRO 20 Cb -0.10 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2kb5 s PRO 20 CO -0.11 -1.83 0.00 -0.35 0.04 0.00 0.00 177.00 174.74 2kb5 n PRO 21 N 8.39 0.68 -1.77 0.56 -0.04 -1.26 -4.83 135.00 136.72 2kb5 n PRO 21 Ca 0.21 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.28 2kb5 n PRO 21 Cb 0.47 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.48 2.64 0.14 0.54 1.81 -1.26 -4.68 118.95 117.66 2kb5 s ARG 22 Ca 0.00 1.32 0.07 0.00 -1.72 0.00 0.00 55.73 55.39 2kb5 s ARG 22 Cb 0.00 -4.43 0.48 0.00 -0.45 0.00 0.00 34.95 30.55 2kb5 s ARG 22 CO 0.00 -2.68 0.62 0.00 -0.68 0.00 0.00 175.30 172.56 2kb5 h THR 24 N 0.00 0.26 0.03 0.00 2.02 -1.87 -2.88 112.91 110.47 2kb5 h THR 24 Ca 0.31 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 67.17 2kb5 h THR 24 Cb 0.80 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 2kb5 h THR 24 CO -0.32 0.00 -1.87 -0.38 0.37 0.00 0.00 175.52 173.32 2kb5 n ILE 25 N -5.41 1.62 -0.40 3.11 5.41 0.50 -4.19 119.36 120.00 2kb5 n ILE 25 Ca 0.01 -0.76 0.36 0.00 1.00 0.00 0.00 62.75 63.36 2kb5 n ILE 25 Cb 0.33 -1.15 0.64 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 n ALA 26 N -2.70 1.21 0.16 -1.39 0.00 0.10 0.27 120.51 118.17 2kb5 n ALA 26 Ca -0.23 0.94 -0.09 0.00 0.00 0.00 0.00 53.44 54.06 2kb5 n ALA 26 Cb 1.06 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 19.54 2kb5 n ALA 26 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2kb5 n MET 27 N -4.96 1.47 -0.10 0.00 2.81 -1.11 -4.09 117.12 111.14 2kb5 n MET 27 Ca 0.39 -1.12 -0.22 0.00 -1.81 0.00 0.00 57.70 54.93 2kb5 n MET 27 Cb 1.44 -1.44 -0.12 0.00 -0.71 0.00 0.00 33.22 32.39 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 -0.11 0.58 0.11 0.03 -4.01 0.77 -3.27 116.66 110.77 2kb5 n ARG 28 Ca 0.22 0.54 -0.03 0.00 -1.04 0.00 0.00 57.85 57.54 2kb5 n ARG 28 Cb 0.94 -1.73 0.07 0.00 -3.04 0.00 0.00 32.46 28.70 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 -0.47 0.77 -0.55 2.89 0.00 -1.74 -3.13 119.26 117.02 2kb5 h ALA 29 Ca -0.37 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.86 2kb5 h ALA 29 Cb 1.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2kb5 h ALA 29 CO -0.20 0.93 0.00 -0.89 0.00 0.00 0.00 179.25 179.09 2kb5 n ILE 30 N -3.65 0.00 -0.02 0.00 -0.00 -1.26 -3.58 119.36 110.84 2kb5 n ILE 30 Ca -0.01 0.69 0.20 0.00 -0.00 0.00 0.00 62.75 63.63 2kb5 n ILE 30 Cb 0.72 -1.56 0.39 0.00 -0.00 0.00 0.00 39.64 39.20 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 -1.72 0.27 115.58 120.87 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 0.48 -1.13 -1.65 0.00 0.00 177.43 175.13 2kb5 h ASN 32 N 0.00 0.00 -0.17 5.81 -1.24 -1.60 0.26 115.58 118.64 2kb5 h ASN 32 Ca 0.32 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.33 2kb5 h ASN 32 Cb 2.38 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.42 2kb5 h ASN 32 CO -0.00 0.00 0.11 0.10 -1.29 0.00 0.00 177.43 176.34 2kb5 h TYR 33 N 0.00 0.22 -4.37 0.67 -0.00 -0.67 -3.45 116.97 109.38 2kb5 h TYR 33 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 58.73 58.35 2kb5 h TYR 33 Cb 0.97 -0.08 -0.10 0.00 0.00 0.00 0.00 36.73 37.52 2kb5 h TYR 33 CO 0.00 0.15 -0.36 0.54 -0.00 0.00 0.00 178.16 178.49 2kb5 n ARG 34 N -4.50 0.40 -0.78 0.10 1.74 0.90 -4.70 116.66 109.81 2kb5 n ARG 34 Ca -0.00 -2.84 0.08 0.00 -0.77 0.00 0.00 57.85 54.32 2kb5 n ARG 34 Cb 0.08 2.39 0.39 0.00 -1.02 0.00 0.00 32.46 34.31 2kb5 n ARG 34 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2kb5 n TRP 35 N -0.55 1.84 -4.58 -1.55 7.02 -1.26 -4.93 117.44 113.43 2kb5 n TRP 35 Ca 0.06 -0.67 -0.27 0.00 -1.02 0.00 0.00 57.50 55.59 2kb5 n TRP 35 Cb 0.53 -0.39 -0.11 0.00 -2.42 0.00 0.00 31.31 28.92 2kb5 n TRP 35 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2kb5 s ARG 36 N -2.35 1.90 0.40 -0.99 0.52 -1.26 -4.69 118.95 112.48 2kb5 s ARG 36 Ca 0.54 -2.03 0.08 0.00 -0.52 0.00 0.00 55.73 53.80 2kb5 s ARG 36 Cb 0.38 -1.68 0.00 0.00 0.52 0.00 0.00 34.95 34.18 2kb5 s ARG 36 CO 0.20 0.04 0.53 0.00 0.02 0.00 0.00 175.30 176.08 2kb5 s LYS 38 N -4.29 2.87 0.19 0.00 2.47 -1.26 -4.98 119.74 114.74 2kb5 s LYS 38 Ca 0.52 -0.78 0.20 0.00 -1.56 0.00 0.00 55.97 54.35 2kb5 s LYS 38 Cb -0.09 -2.68 -0.01 0.00 -1.46 0.00 0.00 37.83 33.59 2kb5 s LYS 38 CO 0.32 0.53 1.06 -0.91 0.16 0.00 0.00 175.35 176.50 2kb5 h ASN 39 N 2.89 0.00 -4.93 1.43 4.21 -1.95 -3.39 115.58 113.84 2kb5 h ASN 39 Ca -0.47 0.00 0.29 0.00 1.21 0.00 0.00 56.30 57.33 2kb5 h ASN 39 Cb 1.18 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.22 2kb5 h ASN 39 CO 0.64 0.22 0.83 -1.58 -1.29 0.00 0.00 177.43 176.25 2kb5 s GLN 40 N -3.18 0.33 -0.11 0.81 0.74 -1.26 -0.92 119.66 116.07 2kb5 s GLN 40 Ca -0.00 -0.16 -0.33 0.00 0.05 0.00 0.00 55.36 54.92 2kb5 s GLN 40 Cb 0.09 0.13 0.13 0.00 1.10 0.00 0.00 33.01 34.46 2kb5 s GLN 40 CO 0.78 -0.15 1.24 1.21 -0.55 0.00 0.00 175.29 177.82 2kb5 s ASN 41 N -2.54 -0.11 -0.03 6.67 2.47 0.15 -4.97 114.94 116.59 2kb5 s ASN 41 Ca 0.12 -0.06 -0.01 0.00 0.42 0.00 0.00 52.86 53.32 2kb5 s ASN 41 Cb 0.02 0.16 0.03 0.00 -1.45 0.00 0.00 41.25 40.01 2kb5 s ASN 41 CO -0.04 -0.27 0.05 -0.89 -3.72 0.00 0.00 177.10 172.23 2kb5 s THR 42 N -2.44 -0.09 -0.38 -5.21 2.01 -1.26 0.02 115.64 108.28 2kb5 s THR 42 Ca 0.11 0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 2kb5 s THR 42 Cb 0.01 -0.13 0.07 0.00 0.01 0.00 0.00 72.50 72.46 2kb5 s THR 42 CO -0.04 0.14 0.17 -0.36 -0.69 0.00 0.00 174.62 173.84 2kb5 s PHE 43 N 1.73 3.35 0.06 4.92 0.08 0.14 -4.12 117.98 124.13 2kb5 s PHE 43 Ca -0.01 -1.68 -0.30 0.00 0.12 0.00 0.00 56.93 55.06 2kb5 s PHE 43 Cb -0.12 -2.68 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 2kb5 s PHE 43 CO -0.03 -0.82 1.13 -0.51 -0.10 0.00 0.00 175.22 174.88 2kb5 s LEU 44 N 1.35 4.38 -1.28 -0.37 1.43 0.88 -0.37 118.68 124.70 2kb5 s LEU 44 Ca 0.01 1.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.85 2kb5 s LEU 44 Cb -0.21 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.45 2kb5 s LEU 44 CO 0.01 -0.39 1.84 0.54 0.23 0.00 0.00 176.35 178.58 2kb5 n ARG 45 N 3.77 2.78 -3.54 1.70 1.74 0.13 -1.32 116.66 121.92 2kb5 n ARG 45 Ca 0.08 -2.99 -0.07 0.00 -0.77 0.00 0.00 57.85 54.10 2kb5 n ARG 45 Cb 0.48 -3.50 -0.02 0.00 -1.02 0.00 0.00 32.46 28.40 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 5.50 0.00 0.67 0.55 -1.32 -1.26 -4.59 115.64 115.18 2kb5 s THR 46 Ca 0.56 -0.06 -0.10 0.00 -1.21 0.00 0.00 61.69 60.88 2kb5 s THR 46 Cb 0.05 -1.11 0.01 0.00 -1.51 0.00 0.00 72.50 69.94 2kb5 s THR 46 CO 0.07 0.00 1.03 0.42 -2.21 0.00 0.00 174.62 173.94 2kb5 s THR 47 N -3.02 3.55 0.22 5.08 -4.23 -1.26 -4.45 115.64 111.53 2kb5 s THR 47 Ca 0.06 0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 2kb5 s THR 47 Cb -0.01 -3.47 0.17 0.00 1.34 0.00 0.00 72.50 70.53 2kb5 s THR 47 CO -0.07 -0.58 1.80 0.15 -0.54 0.00 0.00 174.62 175.38 2kb5 h PHE 48 N -0.50 0.71 -0.68 3.99 3.57 -1.99 -1.95 116.94 120.10 2kb5 h PHE 48 Ca -0.45 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.21 2kb5 h PHE 48 Cb 1.25 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.69 2kb5 h PHE 48 CO 0.49 0.31 0.20 0.00 -2.23 0.00 0.00 178.31 177.08 2kb5 h ALA 49 N 1.40 0.88 0.00 2.41 0.00 -1.99 0.52 119.26 122.47 2kb5 h ALA 49 Ca 0.34 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 2kb5 h ALA 49 Cb 0.28 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kb5 h ALA 49 CO -0.22 -0.28 -0.01 -0.91 0.00 0.00 0.00 179.25 177.84 2kb5 h ASN 50 N 0.33 0.00 0.00 0.00 2.35 -1.73 -1.44 115.58 115.09 2kb5 h ASN 50 Ca 0.37 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.94 2kb5 h ASN 50 Cb 0.56 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 2kb5 h ASN 50 CO -0.42 0.01 -1.11 0.52 -1.65 0.00 0.00 177.43 174.78 2kb5 n VAL 51 N -3.17 1.51 -0.29 2.81 0.31 0.15 -4.11 118.33 115.54 2kb5 n VAL 51 Ca -0.02 0.03 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 2kb5 n VAL 51 Cb 0.11 -2.12 0.34 0.00 -0.91 0.00 0.00 33.84 31.26 2kb5 n VAL 51 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2kb5 h VAL 52 N -1.00 0.88 0.00 2.52 2.07 -0.53 0.19 116.25 120.38 2kb5 h VAL 52 Ca -0.27 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2kb5 h VAL 52 Cb 1.12 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2kb5 h VAL 52 CO -0.17 0.14 -0.01 -1.13 0.02 0.00 0.00 177.57 176.43 2kb5 h ASN 53 N 0.79 0.00 1.53 0.57 -1.24 -1.45 -0.08 115.58 115.70 2kb5 h ASN 53 Ca 0.45 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.39 2kb5 h ASN 53 Cb 0.60 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 2kb5 h ASN 53 CO -0.21 0.01 -0.48 0.58 -1.29 0.00 0.00 177.43 176.04 2kb5 h VAL 54 N 0.00 0.45 -0.07 2.57 2.07 -0.77 -3.29 116.25 117.21 2kb5 h VAL 54 Ca -0.00 -1.67 -0.19 0.00 0.82 0.00 0.00 66.70 65.66 2kb5 h VAL 54 Cb 0.05 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2kb5 h VAL 54 CO 0.00 0.26 -0.76 0.00 0.02 0.00 0.00 177.57 177.09 2kb5 n GLY 56 N 0.61 -0.66 3.92 0.00 0.00 -1.15 -4.77 105.19 103.16 2kb5 n GLY 56 Ca -0.05 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2kb5 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kb5 s ASN 57 N -2.21 5.54 -0.38 1.61 0.01 -1.12 -4.94 114.94 113.45 2kb5 s ASN 57 Ca 0.23 0.64 -0.40 0.00 -0.71 0.00 0.00 52.86 52.61 2kb5 s ASN 57 Cb 0.12 -1.62 -0.16 0.00 0.41 0.00 0.00 41.25 40.00 2kb5 s ASN 57 CO 0.22 -1.08 1.96 0.00 -1.51 0.00 0.00 177.10 176.69 2kb5 n GLN 58 N -2.56 0.73 -1.60 -0.60 6.02 -1.26 -4.89 117.38 113.22 2kb5 n GLN 58 Ca 0.05 0.24 -0.33 0.00 -0.01 0.00 0.00 57.00 56.94 2kb5 n GLN 58 Cb 0.58 -2.00 0.07 0.00 1.02 0.00 0.00 30.24 29.90 2kb5 n GLN 58 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2kb5 s SER 59 N 5.22 4.75 0.25 1.08 1.04 -1.26 -4.62 113.70 120.16 2kb5 s SER 59 Ca 1.08 2.09 0.02 0.00 0.48 0.00 0.00 55.95 59.61 2kb5 s SER 59 Cb -1.16 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 62.36 2kb5 s SER 59 CO 0.63 -1.88 0.16 0.27 0.98 0.00 0.00 173.24 173.40 2kb5 s ILE 60 N -2.29 0.12 -0.24 -1.02 -5.25 -1.11 -5.01 121.20 106.40 2kb5 s ILE 60 Ca 0.68 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 58.05 2kb5 s ILE 60 Cb -0.23 -2.52 -0.00 0.00 2.95 0.00 0.00 42.46 42.66 2kb5 s ILE 60 CO 0.44 0.00 1.25 0.00 -1.79 0.00 0.00 174.94 174.84 2kb5 s ARG 61 N -3.94 4.09 0.61 0.37 1.70 -1.26 -4.43 118.95 116.09 2kb5 s ARG 61 Ca 0.39 1.43 -0.16 0.00 -0.47 0.00 0.00 55.73 56.91 2kb5 s ARG 61 Cb 0.06 -3.80 -0.02 0.00 -0.57 0.00 0.00 34.95 30.61 2kb5 s ARG 61 CO 0.16 -0.89 1.09 0.00 -1.08 0.00 0.00 175.30 174.58 2kb5 h PRO 63 N 0.39 0.55 0.00 0.00 0.13 -1.95 -2.87 132.00 128.25 2kb5 h PRO 63 Ca -0.47 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 2kb5 h PRO 63 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kb5 h PRO 63 CO 0.56 0.88 0.00 0.72 -0.23 0.00 0.00 178.00 179.93 2kb5 n HIS 64 N -4.39 0.00 -3.49 1.56 8.25 -1.26 -4.32 115.22 111.57 2kb5 n HIS 64 Ca -0.05 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.20 2kb5 n HIS 64 Cb 0.43 -0.43 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.86 1.96 0.00 0.41 0.01 -1.08 -4.99 114.94 108.39 2kb5 s ASN 65 Ca 0.08 -0.61 0.24 0.00 -0.71 0.00 0.00 52.86 51.85 2kb5 s ASN 65 Cb 0.08 0.22 1.41 0.00 0.41 0.00 0.00 41.25 43.36 2kb5 s ASN 65 CO 0.21 -0.37 1.80 -2.11 -1.51 0.00 0.00 177.10 175.12 2kb5 n ARG 66 N 5.30 0.81 0.00 -0.60 1.85 -1.25 -3.51 116.66 119.26 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 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 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 -0.96 0.00 -2.17 8.89 5.66 -1.26 -5.01 114.28 119.43 2kb5 n THR 67 Ca 0.18 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.76 2kb5 n THR 67 Cb 0.08 -0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 68.56 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 -3.90 4.36 -0.54 1.09 0.20 -1.24 -4.96 118.68 113.68 2kb5 s LEU 68 Ca 0.00 2.30 0.07 0.00 0.69 0.00 0.00 54.13 57.18 2kb5 s LEU 68 Cb 0.00 -3.58 0.27 0.00 -0.43 0.00 0.00 46.19 42.45 2kb5 s LEU 68 CO 0.00 -0.68 0.70 -0.46 -0.29 0.00 0.00 176.35 175.63 2kb5 n ASN 69 N 4.28 2.60 -0.11 3.68 6.94 -1.26 -3.54 115.26 127.86 2kb5 n ASN 69 Ca 0.12 -3.22 0.04 0.00 -0.02 0.00 0.00 54.58 51.49 2kb5 n ASN 69 Cb 0.42 -0.65 0.06 0.00 -2.36 0.00 0.00 39.78 37.26 2kb5 n ASN 69 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kb5 n ASN 70 N 0.86 2.25 -4.66 0.53 4.13 -1.26 -4.87 115.26 112.24 2kb5 n ASN 70 Ca 0.27 -2.35 -0.29 0.00 1.68 0.00 0.00 54.58 53.89 2kb5 n ASN 70 Cb 0.46 -0.16 -0.10 0.00 -1.54 0.00 0.00 39.78 38.44 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb5 s HIS 72 N -2.75 -0.17 -0.26 0.00 3.76 -1.10 -2.74 115.29 112.04 2kb5 s HIS 72 Ca 0.28 0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 55.41 2kb5 s HIS 72 Cb 0.08 0.05 -0.03 0.00 1.11 0.00 0.00 32.58 33.78 2kb5 s HIS 72 CO 0.14 -0.18 0.42 0.50 -0.85 0.00 0.00 174.74 174.78 2kb5 s ARG 73 N -0.35 4.06 0.00 1.40 3.52 -1.26 -3.53 118.95 122.79 2kb5 s ARG 73 Ca -0.05 0.15 -0.36 0.00 -0.13 0.00 0.00 55.73 55.35 2kb5 s ARG 73 Cb -0.03 -3.64 -0.14 0.00 -1.56 0.00 0.00 34.95 29.58 2kb5 s ARG 73 CO 0.01 -0.26 1.62 -1.13 -0.81 0.00 0.00 175.30 174.73 2kb5 n SER 74 N 5.27 2.69 0.20 -2.12 3.41 -1.15 -4.85 113.62 117.07 2kb5 n SER 74 Ca -0.07 1.06 0.10 0.00 -0.26 0.00 0.00 58.87 59.70 2kb5 n SER 74 Cb 0.50 -1.30 0.22 0.00 -0.26 0.00 0.00 64.21 63.38 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 6.63 0.00 -5.90 4.33 0.11 -1.94 -3.43 114.38 114.17 2kb5 h ARG 75 Ca -0.47 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 58.94 2kb5 h ARG 75 Cb 1.29 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.21 2kb5 h ARG 75 CO 0.89 0.17 -0.63 -0.06 0.10 0.00 0.00 179.97 180.44 2kb5 s PHE 76 N -3.25 3.14 0.07 4.08 0.08 -1.26 -5.07 117.98 115.78 2kb5 s PHE 76 Ca 0.05 0.14 -0.25 0.00 0.12 0.00 0.00 56.93 56.99 2kb5 s PHE 76 Cb 0.07 -1.81 -0.06 0.00 -0.57 0.00 0.00 43.02 40.65 2kb5 s PHE 76 CO 0.67 0.41 0.78 1.03 -0.10 0.00 0.00 175.22 178.02 2kb5 s ARG 77 N -0.73 4.52 0.05 0.44 0.52 -1.26 -4.56 118.95 117.93 2kb5 s ARG 77 Ca 0.11 1.11 0.02 0.00 -0.52 0.00 0.00 55.73 56.46 2kb5 s ARG 77 Cb -0.12 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 2kb5 s ARG 77 CO 0.02 0.33 -0.08 0.14 0.02 0.00 0.00 175.30 175.74 2kb5 s VAL 78 N -0.26 0.59 -0.08 3.52 -7.23 -1.16 -4.87 120.40 110.91 2kb5 s VAL 78 Ca 0.39 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 2kb5 s VAL 78 Cb -0.21 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 2kb5 s VAL 78 CO 0.24 -0.47 1.51 -2.16 -0.31 0.00 0.00 175.10 173.91 2kb5 s PRO 79 N -2.03 4.21 0.44 4.82 0.04 -1.26 -1.68 135.00 139.53 2kb5 s PRO 79 Ca -0.05 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.03 2kb5 s PRO 79 Cb -0.07 -3.88 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 2kb5 s PRO 79 CO -0.01 -0.78 0.03 -0.48 0.04 0.00 0.00 177.00 175.80 2kb5 s LEU 80 N 3.72 2.44 -0.03 -3.56 0.05 0.14 0.18 118.68 121.64 2kb5 s LEU 80 Ca 0.67 -1.52 0.02 0.00 0.05 0.00 0.00 54.13 53.35 2kb5 s LEU 80 Cb -0.30 -0.66 0.01 0.00 -2.05 0.00 0.00 46.19 43.19 2kb5 s LEU 80 CO 0.25 -0.69 -0.07 -0.22 -0.55 0.00 0.00 176.35 175.07 2kb5 s LEU 81 N -3.73 1.66 0.08 1.48 1.98 0.50 -2.34 118.68 118.31 2kb5 s LEU 81 Ca 0.23 -0.15 -0.01 0.00 -2.89 0.00 0.00 54.13 51.31 2kb5 s LEU 81 Cb 0.06 -0.46 -0.04 0.00 0.66 0.00 0.00 46.19 46.40 2kb5 s LEU 81 CO 0.11 0.02 0.25 -1.00 -1.89 0.00 0.00 176.35 173.85 2kb5 s HIS 82 N 0.39 3.51 -0.25 5.38 3.76 -0.74 0.24 115.29 127.58 2kb5 s HIS 82 Ca -0.05 0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 55.16 2kb5 s HIS 82 Cb -0.10 -1.82 0.11 0.00 1.11 0.00 0.00 32.58 31.88 2kb5 s HIS 82 CO 0.00 0.55 0.25 0.00 -0.85 0.00 0.00 174.74 174.69 2kb5 s ASP 84 N 2.33 5.37 -0.57 0.00 2.15 -1.21 0.33 116.67 125.07 2kb5 s ASP 84 Ca 0.08 0.02 -0.28 0.00 0.43 0.00 0.00 52.55 52.81 2kb5 s ASP 84 Cb -0.15 -1.45 0.01 0.00 -0.30 0.00 0.00 42.92 41.03 2kb5 s ASP 84 CO -0.23 0.24 1.49 -0.22 -0.17 0.00 0.00 175.17 176.29 2kb5 s LEU 85 N -1.86 3.37 0.00 -1.34 2.96 -0.10 0.19 118.68 121.91 2kb5 s LEU 85 Ca 0.23 0.29 0.16 0.00 -0.22 0.00 0.00 54.13 54.59 2kb5 s LEU 85 Cb -0.12 -2.96 0.93 0.00 0.50 0.00 0.00 46.19 44.54 2kb5 s LEU 85 CO 0.15 -1.82 1.36 -0.38 -1.32 0.00 0.00 176.35 174.34 2kb5 n ILE 86 N 6.90 0.00 -3.74 6.68 5.41 -1.04 -4.02 119.36 129.55 2kb5 n ILE 86 Ca 0.13 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.60 2kb5 n ILE 86 Cb 0.49 -0.62 -0.12 0.00 -0.71 0.00 0.00 39.64 38.68 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 -1.90 3.69 -0.18 4.38 2.20 -1.26 -4.96 114.94 116.91 2kb5 s ASN 87 Ca 0.23 -3.41 -0.29 0.00 -0.94 0.00 0.00 52.86 48.45 2kb5 s ASN 87 Cb 0.11 -1.22 -0.03 0.00 -2.00 0.00 0.00 41.25 38.11 2kb5 s ASN 87 CO 0.18 -0.14 1.58 -2.16 -2.94 0.00 0.00 177.10 173.62 2kb5 s PRO 88 N -0.71 3.92 0.00 3.55 0.04 -1.26 -2.41 135.00 138.14 2kb5 s PRO 88 Ca 0.26 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2kb5 s PRO 88 Cb -0.06 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2kb5 s PRO 88 CO -0.14 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.17 2kb5 n GLY 89 N 4.43 0.50 3.73 0.56 0.00 -1.26 -5.08 105.19 108.07 2kb5 n GLY 89 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 3.26 -0.62 4.61 0.00 -1.01 -4.99 121.76 121.01 2kb5 s ALA 90 Ca 0.00 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.49 2kb5 s ALA 90 Cb 0.00 -3.22 0.33 0.00 0.00 0.00 0.00 23.12 20.23 2kb5 s ALA 90 CO 0.00 -0.05 0.99 1.04 0.00 0.00 0.00 175.76 177.74 2kb5 n GLN 91 N 3.06 3.32 -3.73 0.00 6.02 -1.26 -4.63 117.38 120.16 2kb5 n GLN 91 Ca 0.02 -4.84 -0.10 0.00 -0.01 0.00 0.00 57.00 52.07 2kb5 n GLN 91 Cb 0.50 -2.26 -0.06 0.00 1.02 0.00 0.00 30.24 29.44 2kb5 n GLN 91 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2kb5 s ASN 92 N -3.24 -0.08 -0.00 1.08 0.01 -1.26 -4.75 114.94 106.69 2kb5 s ASN 92 Ca 0.47 -0.47 0.03 0.00 -0.71 0.00 0.00 52.86 52.19 2kb5 s ASN 92 Cb 0.26 0.42 -0.04 0.00 0.41 0.00 0.00 41.25 42.30 2kb5 s ASN 92 CO -0.13 -0.80 0.13 2.30 -1.51 0.00 0.00 177.10 177.09 2kb5 n ILE 93 N -0.16 0.00 0.03 0.60 -5.35 -1.26 -4.20 119.36 109.02 2kb5 n ILE 93 Ca -0.15 -0.35 -0.10 0.00 -0.27 0.00 0.00 62.75 61.88 2kb5 n ILE 93 Cb 0.63 0.89 -0.07 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.16 -1.32 7.28 0.02 -1.98 -3.36 113.55 114.03 2kb5 h SER 94 Ca 0.00 -0.36 -0.63 0.00 -0.84 0.00 0.00 61.79 59.96 2kb5 h SER 94 Cb 0.10 0.04 -0.37 0.00 0.14 0.00 0.00 62.40 62.30 2kb5 h SER 94 CO 0.00 0.44 -0.16 -3.20 -1.14 0.00 0.00 176.83 172.77 2kb5 n ASN 95 N -4.88 5.79 -4.44 3.07 2.85 -1.26 -4.98 115.26 111.40 2kb5 n ASN 95 Ca -0.07 -3.76 -0.44 0.00 -0.11 0.00 0.00 54.58 50.20 2kb5 n ASN 95 Cb 0.25 -0.63 -0.07 0.00 1.24 0.00 0.00 39.78 40.58 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kb5 s ARG 97 N 2.42 3.81 0.08 0.00 0.52 -1.26 -4.85 118.95 119.67 2kb5 s ARG 97 Ca 0.13 1.35 -0.03 0.00 -0.52 0.00 0.00 55.73 56.66 2kb5 s ARG 97 Cb -0.20 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.14 2kb5 s ARG 97 CO 0.11 -0.42 0.04 0.71 0.02 0.00 0.00 175.30 175.76 2kb5 s TYR 98 N -2.00 0.52 0.25 -0.53 2.02 -1.26 -2.51 117.35 113.84 2kb5 s TYR 98 Ca 0.67 -1.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.43 2kb5 s TYR 98 Cb -0.16 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2kb5 s TYR 98 CO 0.20 -0.45 0.18 0.00 -1.57 0.00 0.00 175.55 173.91 2kb5 s ALA 99 N -3.94 3.56 -0.03 3.71 0.00 0.13 -4.73 121.76 120.46 2kb5 s ALA 99 Ca 0.11 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.69 2kb5 s ALA 99 Cb 0.07 -1.28 -0.00 0.00 0.00 0.00 0.00 23.12 21.91 2kb5 s ALA 99 CO -0.07 0.26 -0.15 -0.51 0.00 0.00 0.00 175.76 175.29 2kb5 s ASP 100 N -3.80 1.93 -0.26 0.00 1.01 -1.26 -3.28 116.67 111.00 2kb5 s ASP 100 Ca 0.33 -0.31 -0.01 0.00 0.71 0.00 0.00 52.55 53.27 2kb5 s ASP 100 Cb -0.08 -0.47 0.14 0.00 1.01 0.00 0.00 42.92 43.52 2kb5 s ASP 100 CO 0.25 0.14 0.36 -0.60 0.21 0.00 0.00 175.17 175.52 2kb5 s ARG 101 N -0.01 0.35 0.49 8.23 6.06 -1.15 -4.99 118.95 127.94 2kb5 s ARG 101 Ca -0.02 0.25 -0.21 0.00 -2.50 0.00 0.00 55.73 53.24 2kb5 s ARG 101 Cb -0.10 -0.53 -0.07 0.00 0.06 0.00 0.00 34.95 34.31 2kb5 s ARG 101 CO 0.01 -0.84 1.15 -1.25 -2.50 0.00 0.00 175.30 171.88 2kb5 s PRO 102 N 2.49 3.59 0.09 5.12 0.04 -1.26 -1.79 135.00 143.27 2kb5 s PRO 102 Ca 0.11 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.58 2kb5 s PRO 102 Cb -0.14 -2.24 0.09 0.00 0.04 0.00 0.00 34.50 32.25 2kb5 s PRO 102 CO -0.23 -0.68 1.09 0.20 0.04 0.00 0.00 177.00 177.42 2kb5 s GLY 103 N -1.53 -0.30 -0.24 0.56 0.00 -0.99 -4.95 107.32 99.87 2kb5 s GLY 103 Ca 0.67 0.35 -0.03 0.00 0.00 0.00 0.00 44.72 45.71 2kb5 s GLY 103 CO 0.31 0.05 0.32 -1.60 0.00 0.00 0.00 173.10 172.18 2kb5 s ARG 104 N -2.95 0.30 0.19 2.90 3.52 -1.26 0.28 118.95 121.92 2kb5 s ARG 104 Ca 0.13 0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 55.94 2kb5 s ARG 104 Cb 0.01 -0.74 0.04 0.00 -1.56 0.00 0.00 34.95 32.70 2kb5 s ARG 104 CO -0.00 -0.72 0.55 0.54 -0.81 0.00 0.00 175.30 174.87 2kb5 n ARG 105 N 5.34 0.59 -1.27 5.12 5.12 -0.67 -4.75 116.66 126.14 2kb5 n ARG 105 Ca -0.04 -1.21 -0.29 0.00 -1.93 0.00 0.00 57.85 54.38 2kb5 n ARG 105 Cb 0.49 1.55 0.20 0.00 -1.16 0.00 0.00 32.46 33.54 2kb5 n ARG 105 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2kb5 s PHE 106 N -4.27 1.31 -0.06 -1.55 0.08 -1.26 -3.00 117.98 109.22 2kb5 s PHE 106 Ca 0.12 0.64 -0.05 0.00 0.12 0.00 0.00 56.93 57.76 2kb5 s PHE 106 Cb -0.03 -3.48 0.02 0.00 -0.57 0.00 0.00 43.02 38.97 2kb5 s PHE 106 CO 0.06 -3.28 0.16 1.52 -0.10 0.00 0.00 175.22 173.58 2kb5 s TYR 107 N -3.14 -0.18 -0.48 0.36 -0.85 -1.26 -0.47 117.35 111.32 2kb5 s TYR 107 Ca 0.69 0.47 -0.16 0.00 -0.52 0.00 0.00 57.07 57.55 2kb5 s TYR 107 Cb -0.12 0.02 0.07 0.00 0.38 0.00 0.00 41.96 42.31 2kb5 s TYR 107 CO 0.56 -0.12 0.44 0.08 -1.52 0.00 0.00 175.55 174.99 2kb5 s VAL 108 N 0.47 5.17 -0.11 -3.49 1.01 0.19 -2.96 120.40 120.68 2kb5 s VAL 108 Ca -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2kb5 s VAL 108 Cb -0.05 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2kb5 s VAL 108 CO -0.02 -0.64 -0.17 0.68 0.00 0.00 0.00 175.10 174.95 2kb5 s VAL 109 N 1.82 2.75 -0.66 2.92 -7.23 -1.23 -0.76 120.40 118.02 2kb5 s VAL 109 Ca 0.06 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 59.20 2kb5 s VAL 109 Cb -0.24 -2.12 0.04 0.00 0.56 0.00 0.00 36.38 34.63 2kb5 s VAL 109 CO 0.07 0.54 1.11 0.00 -0.31 0.00 0.00 175.10 176.52 2kb5 s ALA 110 N 0.23 2.97 -0.01 1.32 0.00 0.44 -2.70 121.76 124.01 2kb5 s ALA 110 Ca -0.11 -1.40 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 2kb5 s ALA 110 Cb -0.16 -4.01 -0.05 0.00 0.00 0.00 0.00 23.12 18.89 2kb5 s ALA 110 CO 0.06 -2.88 0.55 0.00 0.00 0.00 0.00 175.76 173.49 2kb5 s ASP 112 N -0.35 0.08 -0.24 0.00 2.15 -1.11 -4.48 116.67 112.72 2kb5 s ASP 112 Ca 0.29 -1.22 -0.34 0.00 0.43 0.00 0.00 52.55 51.71 2kb5 s ASP 112 Cb -0.18 0.46 -0.11 0.00 -0.30 0.00 0.00 42.92 42.80 2kb5 s ASP 112 CO 0.16 -0.96 2.08 -3.20 -0.17 0.00 0.00 175.17 173.08 2kb5 n ASN 113 N -0.34 2.75 -5.02 -0.34 2.85 -1.26 -3.23 115.26 110.66 2kb5 n ASN 113 Ca 0.01 0.58 -0.20 0.00 -0.11 0.00 0.00 54.58 54.86 2kb5 n ASN 113 Cb 0.64 -1.34 0.05 0.00 1.24 0.00 0.00 39.78 40.37 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 5.46 2.38 0.29 1.20 3.03 -1.24 -4.97 118.95 125.09 2kb5 s ARG 114 Ca 1.02 -1.61 -0.24 0.00 2.03 0.00 0.00 55.73 56.93 2kb5 s ARG 114 Cb -0.72 -2.63 -0.09 0.00 -1.03 0.00 0.00 34.95 30.48 2kb5 s ARG 114 CO 0.48 -0.76 0.87 0.34 -1.13 0.00 0.00 175.30 175.11 2kb5 s ASP 115 N -4.59 7.26 0.00 -2.89 2.15 -1.26 -4.93 116.67 112.41 2kb5 s ASP 115 Ca 0.59 1.70 0.07 0.00 0.43 0.00 0.00 52.55 55.35 2kb5 s ASP 115 Cb -0.06 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.48 2kb5 s ASP 115 CO 0.37 -0.02 0.90 -0.81 -0.17 0.00 0.00 175.17 175.43 2kb5 n PRO 116 N 0.65 0.49 -0.05 4.34 -0.04 -1.26 -1.74 135.00 137.38 2kb5 n PRO 116 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2kb5 n PRO 116 Cb 0.50 -1.24 0.06 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.74 1.38 -0.03 0.54 1.85 -1.26 -4.56 116.66 113.83 2kb5 n ARG 117 Ca 0.06 -1.37 -0.07 0.00 -1.00 0.00 0.00 57.85 55.47 2kb5 n ARG 117 Cb 0.03 -1.16 -0.03 0.00 -1.05 0.00 0.00 32.46 30.25 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 0.29 1.04 -3.68 2.89 8.00 -0.71 -4.93 116.55 119.45 2kb5 n ASP 118 Ca 0.06 0.06 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 2kb5 n ASP 118 Cb 0.27 -0.19 -0.12 0.00 -0.02 0.00 0.00 41.12 41.06 2kb5 n ASP 118 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kb5 s SER 119 N -5.44 3.47 0.03 -2.24 0.15 -1.16 -4.93 113.70 103.57 2kb5 s SER 119 Ca -0.10 -2.82 -0.22 0.00 0.70 0.00 0.00 55.95 53.52 2kb5 s SER 119 Cb 0.03 -1.00 -0.16 0.00 -1.71 0.00 0.00 66.02 63.19 2kb5 s SER 119 CO 0.13 -0.23 1.33 1.55 1.20 0.00 0.00 173.24 177.21 2kb5 h PRO 120 N 6.43 0.28 -0.32 5.44 0.13 -1.85 -3.28 132.00 138.82 2kb5 h PRO 120 Ca 0.05 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 2kb5 h PRO 120 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2kb5 h PRO 120 CO 0.49 0.68 0.10 0.07 -0.23 0.00 0.00 178.00 179.11 2kb5 h ARG 121 N -0.12 0.50 -5.24 0.86 0.11 -1.97 -3.41 114.38 105.11 2kb5 h ARG 121 Ca 0.02 -0.11 -0.62 0.00 0.10 0.00 0.00 59.98 59.37 2kb5 h ARG 121 Cb 0.63 -0.07 -0.17 0.00 1.11 0.00 0.00 29.97 31.47 2kb5 h ARG 121 CO 0.03 0.54 -0.57 0.71 0.10 0.00 0.00 179.97 180.78 2kb5 s TYR 122 N -5.40 3.24 -0.15 4.08 2.02 -1.24 -4.98 117.35 114.92 2kb5 s TYR 122 Ca -0.13 0.03 0.29 0.00 -0.37 0.00 0.00 57.07 56.89 2kb5 s TYR 122 Cb 0.09 -2.10 1.22 0.00 -0.40 0.00 0.00 41.96 40.77 2kb5 s TYR 122 CO 0.74 0.10 1.87 -1.00 -1.57 0.00 0.00 175.55 175.69 2kb5 h PRO 123 N 6.88 0.00 -4.81 -1.71 0.13 -1.81 -3.42 132.00 127.26 2kb5 h PRO 123 Ca -0.37 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.49 2kb5 h PRO 123 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 2kb5 h PRO 123 CO 0.69 0.00 -0.71 0.54 -0.23 0.00 0.00 178.00 178.29 2kb5 s VAL 124 N -3.52 0.85 0.03 1.56 0.11 -1.26 -3.71 120.40 114.45 2kb5 s VAL 124 Ca 0.02 -1.84 -0.15 0.00 -2.93 0.00 0.00 61.98 57.09 2kb5 s VAL 124 Cb 0.09 -1.57 0.02 0.00 -1.53 0.00 0.00 36.38 33.40 2kb5 s VAL 124 CO 0.47 -0.74 0.33 0.68 -3.33 0.00 0.00 175.10 172.51 2kb5 s VAL 125 N -3.12 0.07 0.29 2.04 -7.23 -1.20 -4.95 120.40 106.31 2kb5 s VAL 125 Ca 0.10 -0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 2kb5 s VAL 125 Cb 0.02 -0.85 -0.10 0.00 0.56 0.00 0.00 36.38 36.00 2kb5 s VAL 125 CO -0.02 -0.32 1.24 -2.16 -0.31 0.00 0.00 175.10 173.53 2kb5 s PRO 126 N -2.18 4.45 0.00 4.82 0.04 -1.26 -2.73 135.00 138.14 2kb5 s PRO 126 Ca -0.07 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2kb5 s PRO 126 Cb -0.02 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2kb5 s PRO 126 CO -0.01 -0.07 0.42 1.33 0.04 0.00 0.00 177.00 178.71 2kb5 n VAL 127 N 1.25 0.16 -3.64 -0.36 0.24 -0.90 -4.41 118.33 110.68 2kb5 n VAL 127 Ca 0.01 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.34 61.98 2kb5 n VAL 127 Cb 0.43 1.24 -0.07 0.00 -1.47 0.00 0.00 33.84 33.97 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 -0.16 -0.59 -0.24 6.34 5.65 -1.25 -4.98 115.29 120.06 2kb5 s HIS 128 Ca 0.00 1.42 0.02 0.00 0.25 0.00 0.00 55.06 56.76 2kb5 s HIS 128 Cb 0.00 0.33 0.05 0.00 -1.18 0.00 0.00 32.58 31.78 2kb5 s HIS 128 CO 0.00 -0.28 -0.13 -1.17 -0.65 0.00 0.00 174.74 172.51 2kb5 s LEU 129 N 0.31 3.15 -0.02 8.88 1.98 -1.26 -0.42 118.68 131.29 2kb5 s LEU 129 Ca 0.02 -1.20 -0.21 0.00 -2.89 0.00 0.00 54.13 49.85 2kb5 s LEU 129 Cb -0.05 -1.54 -0.13 0.00 0.66 0.00 0.00 46.19 45.13 2kb5 s LEU 129 CO -0.04 -0.15 0.89 0.44 -1.89 0.00 0.00 176.35 175.60 2kb5 h ASP 130 N 7.83 -0.44 -5.54 3.68 3.32 -1.34 -3.50 116.42 120.43 2kb5 h ASP 130 Ca -0.26 -0.11 0.21 0.00 0.02 0.00 0.00 57.03 56.90 2kb5 h ASP 130 Cb 1.07 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 2kb5 h ASP 130 CO 0.51 -0.00 0.68 0.28 -1.72 0.00 0.00 179.24 178.99 2kb5 s THR 131 N -3.85 0.00 -0.21 0.35 -1.32 -1.25 -5.02 115.64 104.33 2kb5 s THR 131 Ca -0.11 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 59.92 2kb5 s THR 131 Cb 0.01 -2.96 0.05 0.00 -1.51 0.00 0.00 72.50 68.09 2kb5 s THR 131 CO 0.39 0.00 -0.09 0.42 -2.21 0.00 0.00 174.62 173.12 2kb5 s THR 132 N -2.07 1.69 -0.11 5.08 -4.23 -1.26 -0.64 115.64 114.10 2kb5 s THR 132 Ca 0.25 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2kb5 s THR 132 Cb -0.02 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.01 2kb5 s THR 132 CO 0.04 0.09 0.03 -0.38 -0.54 0.00 0.00 174.62 173.85