#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k77 s GLU 3 N 0.00 4.19 0.17 -0.52 2.12 -1.26 0.04 118.70 123.44 3k77 s GLU 3 Ca 0.00 2.45 -0.28 0.00 0.36 0.00 0.00 54.97 57.50 3k77 s GLU 3 Cb 0.00 -3.09 -0.08 0.00 0.26 0.00 0.00 34.13 31.23 3k77 s GLU 3 CO 0.00 -0.58 0.87 0.42 -0.54 0.00 0.00 175.26 175.43 3k77 s ILE 4 N 0.42 4.31 -0.07 -3.70 1.01 0.47 -4.81 121.20 118.83 3k77 s ILE 4 Ca 0.65 1.91 -0.15 0.00 0.00 0.00 0.00 60.65 63.05 3k77 s ILE 4 Cb -0.45 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.73 3k77 s ILE 4 CO 0.40 0.46 0.40 -0.13 0.00 0.00 0.00 174.94 176.08 3k77 s ARG 5 N -0.86 4.10 -0.17 2.79 0.52 -1.26 -4.67 118.95 119.40 3k77 s ARG 5 Ca 0.40 0.35 -0.06 0.00 -0.52 0.00 0.00 55.73 55.90 3k77 s ARG 5 Cb -0.24 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 3k77 s ARG 5 CO 0.29 0.44 0.02 -0.51 0.02 0.00 0.00 175.30 175.56 3k77 s LEU 6 N -0.26 3.58 -0.11 2.53 1.43 -1.26 -1.78 118.68 122.81 3k77 s LEU 6 Ca 0.23 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3k77 s LEU 6 Cb -0.15 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3k77 s LEU 6 CO 0.10 0.17 0.00 -0.09 0.23 0.00 0.00 176.35 176.77 3k77 h ARG 7 N 6.68 0.00 -3.25 1.70 2.43 -0.09 -3.45 114.38 118.40 3k77 h ARG 7 Ca -0.34 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3k77 h ARG 7 Cb 1.18 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3k77 h ARG 7 CO 0.67 0.04 0.11 -3.38 -1.51 0.00 0.00 179.97 175.91 3k77 s HIS 8 N -1.68 0.09 -0.24 2.20 -3.43 -1.15 -5.00 115.29 106.07 3k77 s HIS 8 Ca -0.03 -0.54 -0.20 0.00 -0.80 0.00 0.00 55.06 53.49 3k77 s HIS 8 Cb 0.00 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.67 3k77 s HIS 8 CO 0.06 -1.22 0.59 0.08 -2.00 0.00 0.00 174.74 172.25 3k77 s VAL 9 N -3.64 5.02 0.03 -5.38 1.01 -1.26 -0.25 120.40 115.93 3k77 s VAL 9 Ca 0.16 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 3k77 s VAL 9 Cb -0.04 -3.90 -0.33 0.00 0.00 0.00 0.00 36.38 32.11 3k77 s VAL 9 CO 0.09 0.07 0.99 0.58 0.00 0.00 0.00 175.10 176.83 3k77 h VAL 10 N 5.35 1.29 -3.06 2.92 2.07 -0.25 -3.47 116.25 121.09 3k77 h VAL 10 Ca -0.29 -2.78 -0.01 0.00 0.82 0.00 0.00 66.70 64.45 3k77 h VAL 10 Cb 1.13 2.98 -0.11 0.00 -1.52 0.00 0.00 31.29 33.77 3k77 h VAL 10 CO 0.75 0.84 0.17 -0.94 0.02 0.00 0.00 177.57 178.41 3k77 s SER 11 N -7.41 -0.46 -0.21 0.57 1.04 -1.17 -4.96 113.70 101.09 3k77 s SER 11 Ca -0.08 -0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.06 3k77 s SER 11 Cb 0.05 0.61 0.08 0.00 0.10 0.00 0.00 66.02 66.86 3k77 s SER 11 CO 0.92 -1.04 0.50 0.00 0.98 0.00 0.00 173.24 174.60 3k77 h SER 13 N 7.38 0.00 -2.65 0.00 4.64 0.09 -3.46 113.55 119.55 3k77 h SER 13 Ca -0.29 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.14 3k77 h SER 13 Cb 1.17 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.98 3k77 h SER 13 CO 0.21 0.32 0.49 -0.55 -0.87 0.00 0.00 176.83 176.43 3k77 s SER 14 N -6.34 -0.40 0.05 4.97 0.15 -1.26 -4.89 113.70 105.98 3k77 s SER 14 Ca 0.01 0.69 -0.19 0.00 0.70 0.00 0.00 55.95 57.16 3k77 s SER 14 Cb 0.10 0.98 0.04 0.00 -1.71 0.00 0.00 66.02 65.43 3k77 s SER 14 CO 0.67 -0.11 0.44 0.00 1.20 0.00 0.00 173.24 175.44 3k77 s GLN 15 N 0.84 0.96 0.57 5.44 -2.07 -1.26 -4.44 119.66 119.70 3k77 s GLN 15 Ca -0.03 -0.36 -0.08 0.00 -1.82 0.00 0.00 55.36 53.07 3k77 s GLN 15 Cb -0.04 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.29 3k77 s GLN 15 CO -0.12 -0.34 0.91 0.34 -1.32 0.00 0.00 175.29 174.76 3k77 s ASP 16 N -2.06 6.02 0.24 12.60 -1.08 0.02 -3.33 116.67 129.07 3k77 s ASP 16 Ca -0.05 1.04 0.05 0.00 -0.52 0.00 0.00 52.55 53.07 3k77 s ASP 16 Cb -0.01 -2.15 0.25 0.00 -1.46 0.00 0.00 42.92 39.55 3k77 s ASP 16 CO -0.03 -0.85 1.55 0.77 0.52 0.00 0.00 175.17 177.14 3k77 h SER 17 N -0.11 0.23 0.00 -0.34 4.64 -1.93 -3.20 113.55 112.84 3k77 h SER 17 Ca -0.46 -0.14 -0.35 0.00 -0.47 0.00 0.00 61.79 60.38 3k77 h SER 17 Cb 1.22 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.19 3k77 h SER 17 CO 0.62 0.79 -1.98 0.35 -0.87 0.00 0.00 176.83 175.75 3k77 n THR 18 N -3.85 1.53 -2.66 2.95 -2.24 -1.26 -4.65 114.28 104.10 3k77 n THR 18 Ca -0.02 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 3k77 n THR 18 Cb 0.63 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 3k77 n THR 18 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3k77 n HIS 19 N -4.33 3.88 -3.54 4.78 8.25 -1.25 -4.89 115.22 118.11 3k77 n HIS 19 Ca -0.43 -3.07 -0.20 0.00 -0.26 0.00 0.00 57.72 53.76 3k77 n HIS 19 Cb 0.78 -2.02 -0.01 0.00 1.12 0.00 0.00 29.99 29.86 3k77 n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k77 h ALA 21 N 0.89 2.01 -0.23 0.00 0.00 -1.86 -1.77 119.26 118.30 3k77 h ALA 21 Ca -0.48 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.53 3k77 h ALA 21 Cb 1.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3k77 h ALA 21 CO 0.57 -0.31 0.28 1.05 0.00 0.00 0.00 179.25 180.83 3k77 h GLU 22 N 0.55 0.00 0.00 0.00 4.11 -1.95 -1.07 114.58 116.22 3k77 h GLU 22 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 3k77 h GLU 22 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3k77 h GLU 22 CO -0.23 0.00 0.00 -0.91 0.07 0.00 0.00 179.01 177.94 3k77 h ASN 23 N 0.00 0.00 0.61 3.06 2.35 -1.59 -2.83 115.58 117.18 3k77 h ASN 23 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3k77 h ASN 23 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3k77 h ASN 23 CO -0.00 0.00 -0.62 0.18 -1.65 0.00 0.00 177.43 175.34 3k77 n LEU 24 N -2.43 0.58 0.13 1.61 4.77 -0.40 -4.15 117.00 117.12 3k77 n LEU 24 Ca -0.00 0.07 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 3k77 n LEU 24 Cb 0.14 -0.21 0.47 0.00 -2.33 0.00 0.00 43.42 41.49 3k77 n LEU 24 CO 0.16 0.05 1.00 -0.07 -1.33 0.00 0.00 177.39 177.21 3k77 h LEU 25 N 0.00 0.22 -7.78 2.23 3.38 -1.67 -3.41 115.31 108.28 3k77 h LEU 25 Ca 0.00 -0.02 -0.44 0.00 0.09 0.00 0.00 57.88 57.51 3k77 h LEU 25 Cb 0.62 -0.06 -0.34 0.00 0.09 0.00 0.00 40.66 40.97 3k77 h LEU 25 CO 0.00 0.26 -0.78 -0.54 0.09 0.00 0.00 178.44 177.47 3k77 s LYS 26 N -5.00 1.06 0.51 1.13 1.02 -1.26 -4.21 119.74 112.99 3k77 s LYS 26 Ca -0.06 -0.17 0.30 0.00 0.02 0.00 0.00 55.97 56.06 3k77 s LYS 26 Cb 0.16 -1.02 1.21 0.00 -0.52 0.00 0.00 37.83 37.67 3k77 s LYS 26 CO 0.71 -0.08 1.93 0.00 -0.92 0.00 0.00 175.35 177.00 3k77 h ALA 27 N 7.24 1.02 -0.98 5.17 0.00 -1.81 -3.18 119.26 126.72 3k77 h ALA 27 Ca -0.35 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 54.77 3k77 h ALA 27 Cb 1.16 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3k77 h ALA 27 CO 0.46 0.10 0.71 -0.44 0.00 0.00 0.00 179.25 180.08 3k77 h ASP 28 N 0.00 0.02 0.66 0.00 3.32 -1.95 -3.23 116.42 115.24 3k77 h ASP 28 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3k77 h ASP 28 Cb 0.59 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3k77 h ASP 28 CO 0.01 0.01 -0.62 0.74 -1.72 0.00 0.00 179.24 177.65 3k77 h THR 29 N 0.02 1.42 -1.14 0.35 2.02 -1.88 -3.46 112.91 110.23 3k77 h THR 29 Ca 0.47 -2.16 -0.32 0.00 0.77 0.00 0.00 66.41 65.18 3k77 h THR 29 Cb 1.86 2.17 -0.10 0.00 -1.74 0.00 0.00 68.15 70.34 3k77 h THR 29 CO -0.02 0.61 -0.32 -1.22 0.37 0.00 0.00 175.52 174.95 3k77 n TYR 30 N -3.76 -0.20 -4.09 3.16 0.53 -1.22 -5.01 117.16 106.57 3k77 n TYR 30 Ca -0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.55 3k77 n TYR 30 Cb 0.63 -2.86 -0.07 0.00 -1.03 0.00 0.00 39.34 36.01 3k77 n TYR 30 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 3k77 s ARG 31 N -3.72 3.03 0.26 -0.72 0.52 -1.26 -5.12 118.95 111.93 3k77 s ARG 31 Ca 0.00 -0.53 0.08 0.00 -0.52 0.00 0.00 55.73 54.76 3k77 s ARG 31 Cb 0.00 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 3k77 s ARG 31 CO 0.00 0.63 0.11 0.15 0.02 0.00 0.00 175.30 176.21 3k77 s LYS 32 N -1.90 2.66 -0.15 3.54 1.02 -1.26 -4.66 119.74 118.98 3k77 s LYS 32 Ca 0.25 -1.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.01 3k77 s LYS 32 Cb -0.12 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 3k77 s LYS 32 CO 0.16 0.39 -0.09 -0.46 -0.92 0.00 0.00 175.35 174.43 3k77 s TRP 33 N -2.20 2.90 0.07 3.18 -0.00 -0.41 -3.41 118.94 119.07 3k77 s TRP 33 Ca 0.32 -0.58 0.01 0.00 -0.00 0.00 0.00 56.10 55.85 3k77 s TRP 33 Cb -0.07 -1.92 -0.04 0.00 -0.00 0.00 0.00 33.47 31.45 3k77 s TRP 33 CO 0.23 -0.20 -0.05 1.03 -0.00 0.00 0.00 176.95 177.95 3k77 s ARG 34 N 0.51 0.66 0.58 5.86 0.52 -0.27 -1.32 118.95 125.48 3k77 s ARG 34 Ca -0.06 -1.13 -0.20 0.00 -0.52 0.00 0.00 55.73 53.81 3k77 s ARG 34 Cb -0.15 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.24 3k77 s ARG 34 CO 0.04 -0.04 1.25 0.00 0.02 0.00 0.00 175.30 176.56 3k77 s ALA 35 N -3.17 2.63 0.46 2.13 0.00 -0.52 -0.80 121.76 122.48 3k77 s ALA 35 Ca 0.04 1.10 0.12 0.00 0.00 0.00 0.00 51.96 53.22 3k77 s ALA 35 Cb 0.02 -3.48 1.04 0.00 0.00 0.00 0.00 23.12 20.70 3k77 s ALA 35 CO -0.05 -1.21 2.08 0.00 0.00 0.00 0.00 175.76 176.57 3k77 h ALA 36 N 1.09 1.88 -2.60 0.00 0.00 -1.77 -3.36 119.26 114.51 3k77 h ALA 36 Ca -0.50 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 3k77 h ALA 36 Cb 1.30 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 3k77 h ALA 36 CO 0.56 0.08 -0.69 0.15 0.00 0.00 0.00 179.25 179.35 3k77 s LYS 37 N -5.32 0.47 0.51 0.00 -0.14 -1.26 -4.83 119.74 109.17 3k77 s LYS 37 Ca -0.07 -0.92 -0.20 0.00 -1.36 0.00 0.00 55.97 53.41 3k77 s LYS 37 Cb 0.18 0.16 -0.07 0.00 -1.68 0.00 0.00 37.83 36.41 3k77 s LYS 37 CO 0.71 -0.08 1.11 0.00 -0.76 0.00 0.00 175.35 176.33 3k77 s ALA 38 N -2.71 2.79 0.00 5.17 0.00 -1.26 -4.10 121.76 121.65 3k77 s ALA 38 Ca -0.04 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3k77 s ALA 38 Cb -0.01 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3k77 s ALA 38 CO -0.06 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.49 3k77 n GLY 39 N 0.11 0.74 3.63 0.00 0.00 -1.18 -4.92 105.19 103.58 3k77 n GLY 39 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3k77 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k77 s GLU 40 N -0.41 4.01 0.40 1.61 2.02 -1.26 -4.95 118.70 120.13 3k77 s GLU 40 Ca 0.00 1.01 0.07 0.00 0.02 0.00 0.00 54.97 56.08 3k77 s GLU 40 Cb 0.00 -3.77 0.83 0.00 0.10 0.00 0.00 34.13 31.30 3k77 s GLU 40 CO 0.00 -0.98 2.02 0.87 0.02 0.00 0.00 175.26 177.19 3k77 h LYS 41 N 8.29 0.47 -3.73 1.61 1.57 -1.95 -3.43 116.57 119.40 3k77 h LYS 41 Ca -0.21 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 3k77 h LYS 41 Cb 1.06 -0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.12 3k77 h LYS 41 CO 1.05 0.37 -0.41 0.95 -0.57 0.00 0.00 179.45 180.84 3k77 s THR 42 N -5.29 0.13 0.13 -0.16 -4.23 -1.26 -0.65 115.64 104.31 3k77 s THR 42 Ca -0.08 -1.08 -0.07 0.00 -1.18 0.00 0.00 61.69 59.28 3k77 s THR 42 Cb 0.17 -1.12 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 3k77 s THR 42 CO 0.73 -0.60 0.19 0.27 -0.54 0.00 0.00 174.62 174.67 3k77 s ILE 43 N -3.19 0.11 -0.05 2.99 -4.36 -0.23 -5.00 121.20 111.47 3k77 s ILE 43 Ca -0.00 -1.46 -0.19 0.00 -0.26 0.00 0.00 60.65 58.74 3k77 s ILE 43 Cb 0.02 -1.71 0.04 0.00 1.25 0.00 0.00 42.46 42.06 3k77 s ILE 43 CO -0.07 -0.49 0.42 -0.55 0.24 0.00 0.00 174.94 174.49 3k77 s SER 44 N -2.95 -0.35 -0.02 4.36 0.15 -1.26 -1.38 113.70 112.26 3k77 s SER 44 Ca 0.14 0.36 -0.03 0.00 0.70 0.00 0.00 55.95 57.12 3k77 s SER 44 Cb 0.05 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 3k77 s SER 44 CO -0.04 -0.45 0.07 0.68 1.20 0.00 0.00 173.24 174.71 3k77 s VAL 45 N -1.07 0.03 -0.19 4.45 -7.23 -0.95 0.86 120.40 116.31 3k77 s VAL 45 Ca -0.11 -0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 59.75 3k77 s VAL 45 Cb -0.04 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.69 3k77 s VAL 45 CO 0.05 -0.15 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.94 3k77 s VAL 46 N -0.47 3.49 -0.10 1.32 1.01 -0.25 -1.10 120.40 124.30 3k77 s VAL 46 Ca -0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3k77 s VAL 46 Cb -0.03 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3k77 s VAL 46 CO 0.00 0.46 0.02 -0.76 0.00 0.00 0.00 175.10 174.82 3k77 s LEU 47 N 0.98 3.67 -0.23 3.92 1.43 0.13 0.53 118.68 129.11 3k77 s LEU 47 Ca -0.00 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 3k77 s LEU 47 Cb -0.15 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3k77 s LEU 47 CO 0.00 0.35 0.35 -1.58 0.23 0.00 0.00 176.35 175.70 3k77 s GLN 48 N -0.69 4.10 0.60 1.70 2.00 0.65 -1.04 119.66 126.98 3k77 s GLN 48 Ca 0.11 0.06 -0.15 0.00 -2.00 0.00 0.00 55.36 53.38 3k77 s GLN 48 Cb -0.12 -3.58 -0.03 0.00 0.80 0.00 0.00 33.01 30.08 3k77 s GLN 48 CO 0.02 -0.11 1.06 -0.51 -0.50 0.00 0.00 175.29 175.25 3k77 s LEU 49 N 1.53 3.46 0.24 3.68 1.43 0.19 0.59 118.68 129.80 3k77 s LEU 49 Ca 0.15 1.80 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 3k77 s LEU 49 Cb -0.15 -4.53 0.26 0.00 0.03 0.00 0.00 46.19 41.80 3k77 s LEU 49 CO 0.08 -1.19 1.66 -0.33 0.23 0.00 0.00 176.35 176.80 3k77 h GLU 50 N 0.33 0.66 -4.44 1.70 5.08 -1.67 -3.41 114.58 112.84 3k77 h GLU 50 Ca -0.47 -0.27 -0.18 0.00 -1.00 0.00 0.00 59.36 57.45 3k77 h GLU 50 Cb 1.22 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 3k77 h GLU 50 CO 0.57 0.85 -0.66 -1.59 -1.00 0.00 0.00 179.01 177.17 3k77 s LYS 51 N -4.54 0.85 0.12 2.33 -2.85 -1.26 -5.01 119.74 109.36 3k77 s LYS 51 Ca -0.08 -1.38 -0.31 0.00 -1.00 0.00 0.00 55.97 53.20 3k77 s LYS 51 Cb 0.13 0.12 -0.08 0.00 -2.06 0.00 0.00 37.83 35.95 3k77 s LYS 51 CO 0.82 -0.17 1.36 -2.00 0.10 0.00 0.00 175.35 175.45 3k77 s GLU 52 N -3.97 4.34 0.08 1.78 2.12 -1.26 -4.68 118.70 117.11 3k77 s GLU 52 Ca 0.18 2.03 -0.08 0.00 0.36 0.00 0.00 54.97 57.45 3k77 s GLU 52 Cb 0.07 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.20 3k77 s GLU 52 CO -0.02 -0.40 0.18 -1.21 -0.54 0.00 0.00 175.26 173.27 3k77 s GLU 53 N 0.99 0.80 -0.11 4.30 2.02 0.15 -4.83 118.70 122.01 3k77 s GLU 53 Ca 0.63 -0.91 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 3k77 s GLU 53 Cb -0.36 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 3k77 s GLU 53 CO 0.31 -0.25 0.53 -1.14 0.02 0.00 0.00 175.26 174.73 3k77 s GLN 54 N -3.61 4.36 -0.21 1.61 0.74 -1.26 -0.61 119.66 120.67 3k77 s GLN 54 Ca 0.03 0.54 -0.17 0.00 0.05 0.00 0.00 55.36 55.81 3k77 s GLN 54 Cb 0.04 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 3k77 s GLN 54 CO -0.10 0.13 0.45 0.42 -0.55 0.00 0.00 175.29 175.64 3k77 s ILE 55 N 0.69 5.15 -0.22 -2.34 1.01 -1.26 -3.79 121.20 120.44 3k77 s ILE 55 Ca 0.28 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.74 3k77 s ILE 55 Cb -0.16 -3.78 -0.20 0.00 0.01 0.00 0.00 42.46 38.34 3k77 s ILE 55 CO 0.12 0.20 -0.06 1.57 0.00 0.00 0.00 174.94 176.76 3k77 n HIS 56 N 4.79 0.33 -3.79 3.97 -0.00 0.12 -4.89 115.22 115.74 3k77 n HIS 56 Ca -0.07 0.07 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3k77 n HIS 56 Cb 0.51 -1.04 -0.07 0.00 -0.00 0.00 0.00 29.99 29.38 3k77 n HIS 56 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3k77 s SER 57 N -6.61 -0.04 -0.04 0.26 0.15 -1.14 -2.38 113.70 103.89 3k77 s SER 57 Ca -0.31 -0.36 -0.02 0.00 0.70 0.00 0.00 55.95 55.96 3k77 s SER 57 Cb 0.08 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.77 3k77 s SER 57 CO 0.65 -0.65 0.07 -0.69 1.20 0.00 0.00 173.24 173.82 3k77 s VAL 58 N -2.99 -0.12 -0.15 4.45 1.01 -0.15 -2.13 120.40 120.32 3k77 s VAL 58 Ca -0.02 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 3k77 s VAL 58 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 3k77 s VAL 58 CO -0.06 0.17 0.09 -1.81 0.00 0.00 0.00 175.10 173.48 3k77 s ASP 59 N 2.10 5.88 -0.12 3.32 1.01 0.08 -0.33 116.67 128.61 3k77 s ASP 59 Ca 0.04 0.24 0.02 0.00 0.71 0.00 0.00 52.55 53.55 3k77 s ASP 59 Cb -0.12 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.90 3k77 s ASP 59 CO -0.03 0.29 -0.16 -0.63 0.21 0.00 0.00 175.17 174.85 3k77 s ILE 60 N -0.31 1.58 -0.34 0.77 -1.09 -0.32 -1.12 121.20 120.37 3k77 s ILE 60 Ca 0.09 -0.68 -0.11 0.00 -2.23 0.00 0.00 60.65 57.72 3k77 s ILE 60 Cb -0.12 -1.45 -0.00 0.00 -1.58 0.00 0.00 42.46 39.31 3k77 s ILE 60 CO 0.01 0.46 0.21 -0.83 -1.23 0.00 0.00 174.94 173.56 3k77 s GLY 61 N 1.06 1.92 0.92 6.18 0.00 -0.52 -0.82 107.32 116.08 3k77 s GLY 61 Ca -0.04 -1.48 -0.12 0.00 0.00 0.00 0.00 44.72 43.07 3k77 s GLY 61 CO -0.03 0.77 1.12 0.21 0.00 0.00 0.00 173.10 175.17 3k77 s ASN 62 N 1.64 3.36 -0.42 1.64 2.47 -0.44 0.10 114.94 123.30 3k77 s ASN 62 Ca 0.05 1.06 0.06 0.00 0.42 0.00 0.00 52.86 54.44 3k77 s ASN 62 Cb -0.18 -1.67 0.32 0.00 -1.45 0.00 0.00 41.25 38.27 3k77 s ASN 62 CO 0.08 -2.66 1.21 -0.67 -3.72 0.00 0.00 177.10 171.35 3k77 n ASP 63 N -3.85 -2.01 0.00 -4.21 2.03 -0.57 -3.47 116.55 104.47 3k77 n ASP 63 Ca 0.06 -3.03 0.00 0.00 0.52 0.00 0.00 54.79 52.34 3k77 n ASP 63 Cb 0.58 1.56 0.00 0.00 -0.72 0.00 0.00 41.12 42.55 3k77 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k77 n GLY 64 N 0.12 0.43 3.83 0.27 0.00 -0.37 -1.35 105.19 108.11 3k77 n GLY 64 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3k77 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k77 s SER 65 N -2.03 6.72 -0.16 1.61 0.01 -1.25 -4.76 113.70 113.84 3k77 s SER 65 Ca 0.00 1.67 0.09 0.00 1.31 0.00 0.00 55.95 59.02 3k77 s SER 65 Cb 0.00 -2.53 -0.23 0.00 0.21 0.00 0.00 66.02 63.47 3k77 s SER 65 CO 0.00 -0.52 0.20 0.00 0.41 0.00 0.00 173.24 173.33 3k77 n ALA 66 N -1.08 1.38 -2.79 1.44 0.00 0.11 -4.21 120.51 115.36 3k77 n ALA 66 Ca 0.07 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.35 3k77 n ALA 66 Cb 0.54 -0.42 -0.13 0.00 0.00 0.00 0.00 19.45 19.44 3k77 n ALA 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k77 s PHE 67 N -2.54 0.71 -0.02 0.00 0.08 -0.96 -1.13 117.98 114.12 3k77 s PHE 67 Ca -0.16 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.56 3k77 s PHE 67 Cb 0.07 -0.43 0.01 0.00 -0.57 0.00 0.00 43.02 42.11 3k77 s PHE 67 CO 0.77 -0.04 -0.04 0.08 -0.10 0.00 0.00 175.22 175.89 3k77 s VAL 68 N -0.85 0.41 0.01 -0.44 1.01 -0.21 -1.04 120.40 119.29 3k77 s VAL 68 Ca -0.04 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.89 3k77 s VAL 68 Cb -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 3k77 s VAL 68 CO 0.00 0.17 -0.19 -0.70 0.00 0.00 0.00 175.10 174.38 3k77 s GLU 69 N 0.51 1.43 -0.11 2.72 2.12 0.78 -0.68 118.70 125.47 3k77 s GLU 69 Ca -0.06 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.49 3k77 s GLU 69 Cb -0.09 -1.46 0.01 0.00 0.26 0.00 0.00 34.13 32.85 3k77 s GLU 69 CO -0.00 0.39 -0.16 0.08 -0.54 0.00 0.00 175.26 175.02 3k77 s VAL 70 N -0.62 1.59 0.22 3.70 1.01 -0.86 -0.05 120.40 125.39 3k77 s VAL 70 Ca 0.07 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 61.46 3k77 s VAL 70 Cb -0.08 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3k77 s VAL 70 CO 0.00 0.46 -0.22 -0.76 0.00 0.00 0.00 175.10 174.59 3k77 s LEU 71 N 0.92 2.52 0.07 3.92 1.02 0.94 -0.78 118.68 127.29 3k77 s LEU 71 Ca -0.07 -0.90 0.08 0.00 0.02 0.00 0.00 54.13 53.26 3k77 s LEU 71 Cb -0.15 -1.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.85 3k77 s LEU 71 CO -0.01 0.09 -0.23 0.68 0.02 0.00 0.00 176.35 176.90 3k77 s VAL 72 N -1.94 1.86 0.22 -1.59 -7.23 0.18 -0.15 120.40 111.75 3k77 s VAL 72 Ca 0.24 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 3k77 s VAL 72 Cb -0.07 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.25 3k77 s VAL 72 CO 0.12 0.16 0.36 0.61 -0.31 0.00 0.00 175.10 176.04 3k77 n GLY 73 N 1.52 2.12 3.26 2.32 0.00 -0.85 -0.10 105.19 113.46 3k77 n GLY 73 Ca -0.18 -1.39 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 3k77 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k77 s SER 74 N -2.28 2.49 0.25 1.61 0.15 -1.26 -1.65 113.70 113.00 3k77 s SER 74 Ca 0.15 -0.59 0.25 0.00 0.70 0.00 0.00 55.95 56.46 3k77 s SER 74 Cb -0.01 -0.18 0.61 0.00 -1.71 0.00 0.00 66.02 64.72 3k77 s SER 74 CO 0.11 0.12 1.64 0.77 1.20 0.00 0.00 173.24 177.08 3k77 h SER 75 N 4.55 0.00 -3.23 5.45 4.64 -1.87 -3.38 113.55 119.70 3k77 h SER 75 Ca -0.44 -0.03 -0.53 0.00 -0.47 0.00 0.00 61.79 60.32 3k77 h SER 75 Cb 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3k77 h SER 75 CO 0.42 0.02 0.57 0.00 -0.87 0.00 0.00 176.83 176.96 3k77 s ALA 76 N -3.14 3.41 -1.17 5.18 0.00 -1.26 -2.90 121.76 121.88 3k77 s ALA 76 Ca 0.09 0.88 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 3k77 s ALA 76 Cb 0.11 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3k77 s ALA 76 CO 0.64 -0.43 0.05 0.41 0.00 0.00 0.00 175.76 176.43 3k77 n GLY 77 N 3.04 -0.19 4.55 0.00 0.00 -1.26 -4.75 105.19 106.58 3k77 n GLY 77 Ca 0.08 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.87 3k77 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k77 n GLY 78 N -1.04 -1.57 2.79 -0.02 0.00 -1.14 -4.87 105.19 99.34 3k77 n GLY 78 Ca -0.15 -1.18 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 3k77 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k77 s ALA 79 N -1.78 -0.39 0.68 4.61 0.00 -1.26 -4.58 121.76 119.03 3k77 s ALA 79 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.38 3k77 s ALA 79 Cb 0.00 -1.33 0.11 0.00 0.00 0.00 0.00 23.12 21.91 3k77 s ALA 79 CO 0.00 -1.15 0.93 0.20 0.00 0.00 0.00 175.76 175.74 3k77 s GLY 80 N 2.36 1.76 0.08 0.00 0.00 -1.26 -4.95 107.32 105.31 3k77 s GLY 80 Ca 0.07 -1.84 -0.30 0.00 0.00 0.00 0.00 44.72 42.65 3k77 s GLY 80 CO -0.12 -1.31 1.66 0.83 0.00 0.00 0.00 173.10 174.16 3k77 h GLU 81 N -0.32 -0.61 -0.58 2.90 4.39 -2.01 -2.10 114.58 116.25 3k77 h GLU 81 Ca -0.35 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3k77 h GLU 81 Cb 1.27 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 3k77 h GLU 81 CO 0.40 -0.40 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 3k77 n GLN 82 N -5.37 0.77 -0.07 2.33 1.13 -1.26 -3.37 117.38 111.54 3k77 n GLN 82 Ca -0.11 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.91 3k77 n GLN 82 Cb 0.27 -1.29 -0.14 0.00 0.11 0.00 0.00 30.24 29.19 3k77 n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3k77 n ASP 83 N -0.04 0.62 -4.70 1.08 4.64 -0.79 -4.94 116.55 112.42 3k77 n ASP 83 Ca 0.00 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 52.99 3k77 n ASP 83 Cb 0.15 1.20 -0.03 0.00 -1.04 0.00 0.00 41.12 41.40 3k77 n ASP 83 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 3k77 s TYR 84 N -2.68 3.58 0.31 -0.67 1.51 -1.22 -4.76 117.35 113.42 3k77 s TYR 84 Ca -0.08 1.60 -0.15 0.00 -1.01 0.00 0.00 57.07 57.42 3k77 s TYR 84 Cb 0.07 -3.12 -0.09 0.00 -0.11 0.00 0.00 41.96 38.71 3k77 s TYR 84 CO 0.75 -0.11 0.73 -2.00 -1.11 0.00 0.00 175.55 173.81 3k77 s GLU 85 N 1.49 4.03 -0.11 -0.62 2.56 0.86 -4.84 118.70 122.07 3k77 s GLU 85 Ca 0.49 0.68 -0.26 0.00 0.00 0.00 0.00 54.97 55.88 3k77 s GLU 85 Cb -0.19 -2.48 -0.02 0.00 2.00 0.00 0.00 34.13 33.43 3k77 s GLU 85 CO 0.22 0.18 0.85 0.08 -0.56 0.00 0.00 175.26 176.04 3k77 s VAL 86 N -1.93 4.90 -0.26 3.70 1.01 -1.26 0.48 120.40 127.04 3k77 s VAL 86 Ca 0.53 1.72 -0.14 0.00 0.00 0.00 0.00 61.98 64.08 3k77 s VAL 86 Cb -0.11 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 3k77 s VAL 86 CO 0.18 0.10 -0.36 -0.11 0.00 0.00 0.00 175.10 174.91 3k77 n LEU 87 N 4.63 1.94 -4.20 3.92 7.94 0.04 -4.62 117.00 126.64 3k77 n LEU 87 Ca 0.04 0.34 -0.36 0.00 -1.11 0.00 0.00 56.01 54.91 3k77 n LEU 87 Cb 0.50 -0.80 -0.13 0.00 0.53 0.00 0.00 43.42 43.52 3k77 n LEU 87 CO 0.49 0.46 -0.30 -0.22 -1.11 0.00 0.00 177.39 176.71 3k77 s LEU 88 N -7.55 4.19 0.74 -1.96 2.96 -0.41 -0.32 118.68 116.33 3k77 s LEU 88 Ca -0.37 -1.30 -0.15 0.00 -0.22 0.00 0.00 54.13 52.08 3k77 s LEU 88 Cb 0.13 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 45.06 3k77 s LEU 88 CO 0.48 -0.31 1.04 0.55 -1.32 0.00 0.00 176.35 176.79 3k77 n VAL 89 N 4.69 2.83 -1.48 1.68 3.14 -1.26 -2.02 118.33 125.90 3k77 n VAL 89 Ca -0.12 -0.35 -0.62 0.00 -2.96 0.00 0.00 64.34 60.29 3k77 n VAL 89 Cb 0.44 -1.16 -0.11 0.00 -1.06 0.00 0.00 33.84 31.95 3k77 n VAL 89 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3k77 n THR 90 N -2.63 0.03 -4.88 1.55 -1.04 -1.26 -4.78 114.28 101.27 3k77 n THR 90 Ca 0.13 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.80 3k77 n THR 90 Cb 0.50 -0.62 -0.13 0.00 -1.82 0.00 0.00 70.33 68.25 3k77 n THR 90 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3k77 s SER 91 N 4.79 3.87 0.20 8.00 0.01 0.14 -4.93 113.70 125.79 3k77 s SER 91 Ca 1.12 -0.28 -0.21 0.00 1.31 0.00 0.00 55.95 57.89 3k77 s SER 91 Cb -1.43 -0.73 -0.08 0.00 0.21 0.00 0.00 66.02 63.99 3k77 s SER 91 CO 0.71 0.32 0.74 -0.55 0.41 0.00 0.00 173.24 174.87 3k77 s SER 92 N -0.90 7.16 0.00 2.44 0.15 -1.26 -1.05 113.70 120.24 3k77 s SER 92 Ca 0.12 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.26 3k77 s SER 92 Cb -0.11 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3k77 s SER 92 CO 0.02 0.09 0.03 0.49 1.20 0.00 0.00 173.24 175.06 3k77 n PHE 93 N 1.00 0.00 -3.64 3.44 3.72 -0.28 -4.95 117.46 116.75 3k77 n PHE 93 Ca -0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.27 3k77 n PHE 93 Cb 0.50 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.97 3k77 n PHE 93 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3k77 s MET 94 N -0.31 0.66 0.67 -1.08 1.75 -1.18 -4.78 119.30 115.03 3k77 s MET 94 Ca 0.00 0.92 -0.07 0.00 -1.25 0.00 0.00 55.69 55.30 3k77 s MET 94 Cb 0.00 0.25 0.04 0.00 2.84 0.00 0.00 34.83 37.96 3k77 s MET 94 CO 0.00 -0.10 0.98 -1.54 -0.65 0.00 0.00 175.02 173.71 3k77 s SER 95 N 0.82 5.12 0.19 1.11 1.04 -1.26 -4.72 113.70 116.00 3k77 s SER 95 Ca -0.03 0.59 -0.12 0.00 0.48 0.00 0.00 55.95 56.87 3k77 s SER 95 Cb -0.05 -1.37 0.17 0.00 0.10 0.00 0.00 66.02 64.88 3k77 s SER 95 CO -0.09 -1.40 1.77 -0.65 0.98 0.00 0.00 173.24 173.85 3k77 h PRO 96 N -0.46 0.45 -0.32 4.02 0.11 -1.97 0.24 132.00 134.07 3k77 h PRO 96 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3k77 h PRO 96 Cb 1.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3k77 h PRO 96 CO 0.61 0.30 0.13 0.77 -0.21 0.00 0.00 178.00 179.60 3k77 h SER 97 N 0.47 0.43 -0.44 -2.05 0.02 -1.96 0.17 113.55 110.18 3k77 h SER 97 Ca 0.24 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3k77 h SER 97 Cb 0.20 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3k77 h SER 97 CO -0.20 0.46 0.05 -0.33 -1.14 0.00 0.00 176.83 175.68 3k77 h GLU 98 N 0.37 0.75 -0.90 3.45 5.08 -1.83 -1.39 114.58 120.11 3k77 h GLU 98 Ca 0.11 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3k77 h GLU 98 Cb 0.16 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3k77 h GLU 98 CO -0.01 0.78 0.59 0.77 -1.00 0.00 0.00 179.01 180.14 3k77 h SER 99 N 0.60 1.00 -0.54 1.42 0.02 -0.22 1.14 113.55 116.98 3k77 h SER 99 Ca 0.13 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 3k77 h SER 99 Cb 0.41 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3k77 h SER 99 CO 0.01 0.71 -0.10 0.03 -1.14 0.00 0.00 176.83 176.34 3k77 h ARG 100 N 1.18 1.01 0.00 3.45 3.08 -0.48 -3.27 114.38 119.35 3k77 h ARG 100 Ca 0.34 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3k77 h ARG 100 Cb -0.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3k77 h ARG 100 CO -0.09 1.06 -0.98 -1.13 -1.07 0.00 0.00 179.97 177.76 3k77 n SER 101 N -4.17 0.62 0.00 7.04 3.41 -0.54 -4.97 113.62 115.01 3k77 n SER 101 Ca 0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3k77 n SER 101 Cb 0.40 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 3k77 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k77 n GLY 102 N 1.38 0.44 3.76 5.00 0.00 0.38 -5.04 105.19 111.11 3k77 n GLY 102 Ca 0.02 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 3k77 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k77 s SER 103 N -2.93 7.32 -1.14 1.61 0.01 -0.32 -4.29 113.70 113.96 3k77 s SER 103 Ca 0.00 1.57 -0.14 0.00 1.31 0.00 0.00 55.95 58.69 3k77 s SER 103 Cb 0.00 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 3k77 s SER 103 CO 0.00 0.12 0.81 0.59 0.41 0.00 0.00 173.24 175.17 3k77 n ASN 104 N 2.16 -5.05 0.01 2.44 4.13 -1.26 -4.61 115.26 113.07 3k77 n ASN 104 Ca -0.04 -0.91 0.13 0.00 1.68 0.00 0.00 54.58 55.44 3k77 n ASN 104 Cb 0.49 -3.98 0.38 0.00 -1.54 0.00 0.00 39.78 35.14 3k77 n ASN 104 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3k77 n PRO 105 N -3.93 0.05 -0.27 3.52 -0.02 -1.26 -4.19 135.00 128.89 3k77 n PRO 105 Ca -0.12 0.02 0.07 0.00 -2.02 0.00 0.00 63.50 61.45 3k77 n PRO 105 Cb 0.61 -1.54 0.19 0.00 -0.02 0.00 0.00 33.50 32.75 3k77 n PRO 105 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k77 n ASN 106 N -1.61 3.27 -4.66 2.55 5.03 -1.26 -1.23 115.26 117.34 3k77 n ASN 106 Ca 0.06 -2.27 -0.50 0.00 0.87 0.00 0.00 54.58 52.75 3k77 n ASN 106 Cb 0.35 -0.33 -0.05 0.00 -1.02 0.00 0.00 39.78 38.73 3k77 n ASN 106 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3k77 n ARG 107 N 0.32 1.80 -4.19 3.52 0.63 -1.26 -4.23 116.66 113.25 3k77 n ARG 107 Ca 0.15 0.65 -0.34 0.00 -0.92 0.00 0.00 57.85 57.39 3k77 n ARG 107 Cb 0.56 -2.41 -0.10 0.00 0.45 0.00 0.00 32.46 30.97 3k77 n ARG 107 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3k77 s VAL 108 N 2.21 4.46 -0.04 5.15 0.11 -1.26 -1.32 120.40 129.70 3k77 s VAL 108 Ca 0.87 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 59.79 3k77 s VAL 108 Cb -0.80 -2.97 0.01 0.00 -1.53 0.00 0.00 36.38 31.09 3k77 s VAL 108 CO 0.48 0.50 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.51 3k77 s ARG 109 N 0.08 1.35 -0.12 1.54 0.52 0.00 -4.98 118.95 117.35 3k77 s ARG 109 Ca 0.03 -0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 3k77 s ARG 109 Cb -0.13 -1.19 -0.04 0.00 0.52 0.00 0.00 34.95 34.12 3k77 s ARG 109 CO 0.01 0.11 0.09 1.41 0.02 0.00 0.00 175.30 176.94 3k77 s MET 110 N 0.32 3.36 -0.29 3.54 1.75 -1.26 -1.17 119.30 125.54 3k77 s MET 110 Ca -0.07 -0.24 -0.00 0.00 -1.25 0.00 0.00 55.69 54.13 3k77 s MET 110 Cb -0.12 -3.07 0.09 0.00 2.84 0.00 0.00 34.83 34.58 3k77 s MET 110 CO 0.02 0.69 0.06 -0.06 -0.65 0.00 0.00 175.02 175.08 3k77 s PHE 111 N -0.81 2.03 0.68 4.11 0.40 0.55 -5.00 117.98 119.95 3k77 s PHE 111 Ca 0.13 -1.83 -0.12 0.00 -0.60 0.00 0.00 56.93 54.51 3k77 s PHE 111 Cb -0.12 -1.80 0.16 0.00 0.51 0.00 0.00 43.02 41.77 3k77 s PHE 111 CO 0.03 -0.85 0.93 0.41 0.70 0.00 0.00 175.22 176.44 3k77 n GLY 112 N 4.76 -1.39 0.34 4.36 0.00 -1.26 -0.98 105.19 111.01 3k77 n GLY 112 Ca -0.03 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.44 3k77 n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k77 h PRO 113 N 0.00 0.05 0.00 1.61 0.11 -1.86 -1.33 132.00 130.58 3k77 h PRO 113 Ca -0.30 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3k77 h PRO 113 Cb 0.82 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3k77 h PRO 113 CO 0.21 0.03 -0.14 0.38 -0.21 0.00 0.00 178.00 178.27 3k77 h ASP 114 N 0.05 0.00 0.17 -2.05 -0.00 -1.92 -3.22 116.42 109.45 3k77 h ASP 114 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 3k77 h ASP 114 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.96 3k77 h ASP 114 CO -0.01 0.14 -0.71 0.29 -0.00 0.00 0.00 179.24 178.95 3k77 n LYS 115 N -3.17 0.24 -3.18 4.15 5.02 -0.51 -4.91 118.16 115.81 3k77 n LYS 115 Ca 0.02 -0.18 -0.27 0.00 -2.02 0.00 0.00 58.31 55.87 3k77 n LYS 115 Cb 0.53 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 3k77 n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k77 s LEU 116 N -2.89 3.94 0.01 -0.35 1.43 -1.15 -4.71 118.68 114.96 3k77 s LEU 116 Ca 0.12 0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 3k77 s LEU 116 Cb 0.17 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3k77 s LEU 116 CO 0.75 -0.31 1.17 0.68 0.23 0.00 0.00 176.35 178.87 3k77 s VAL 117 N -2.30 4.22 -0.52 -1.59 -7.23 0.57 -4.93 120.40 108.62 3k77 s VAL 117 Ca 0.44 1.58 0.24 0.00 -1.81 0.00 0.00 61.98 62.43 3k77 s VAL 117 Cb -0.10 -4.01 0.26 0.00 0.56 0.00 0.00 36.38 33.09 3k77 s VAL 117 CO 0.35 0.07 1.57 0.03 -0.31 0.00 0.00 175.10 176.81 3k77 h ARG 118 N 7.08 0.00 0.06 4.82 3.08 -1.89 0.36 114.38 127.90 3k77 h ARG 118 Ca -0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 3k77 h ARG 118 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3k77 h ARG 118 CO 0.83 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 179.70 3k77 h ALA 119 N 2.20 -0.08 -0.27 0.04 0.00 -1.95 -1.78 119.26 117.41 3k77 h ALA 119 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3k77 h ALA 119 Cb 0.90 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3k77 h ALA 119 CO 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 179.25 178.38 3k77 h ALA 120 N 0.63 0.42 0.00 0.00 0.00 -1.80 -3.16 119.26 115.34 3k77 h ALA 120 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3k77 h ALA 120 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k77 h ALA 120 CO 0.01 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3k77 n ALA 121 N -2.54 1.46 0.08 0.00 0.00 0.11 -2.29 120.51 117.33 3k77 n ALA 121 Ca -0.04 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 3k77 n ALA 121 Cb 0.56 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.61 3k77 n ALA 121 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k77 h GLU 122 N 0.00 0.05 -6.95 0.00 4.57 -1.28 -3.42 114.58 107.55 3k77 h GLU 122 Ca 0.00 -0.08 -0.46 0.00 -1.18 0.00 0.00 59.36 57.64 3k77 h GLU 122 Cb 0.23 0.03 0.06 0.00 -0.16 0.00 0.00 28.75 28.91 3k77 h GLU 122 CO 0.00 0.99 0.02 0.15 -1.18 0.00 0.00 179.01 178.99 3k77 s LYS 123 N -2.84 2.08 -0.01 1.92 1.02 -0.97 -5.05 119.74 115.90 3k77 s LYS 123 Ca -0.00 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 54.94 3k77 s LYS 123 Cb 0.10 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 3k77 s LYS 123 CO 0.82 -1.10 0.00 1.03 -0.92 0.00 0.00 175.35 175.19 3k77 s ARG 124 N -4.94 2.80 0.16 1.68 0.52 -1.26 -4.44 118.95 113.48 3k77 s ARG 124 Ca 0.62 -0.60 -0.02 0.00 -0.52 0.00 0.00 55.73 55.22 3k77 s ARG 124 Cb -0.07 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 3k77 s ARG 124 CO 0.41 0.63 0.12 -1.58 0.02 0.00 0.00 175.30 174.90 3k77 s TRP 125 N -1.08 0.92 0.00 -0.53 0.52 0.23 -4.83 118.94 114.17 3k77 s TRP 125 Ca 0.19 -1.23 0.00 0.00 0.02 0.00 0.00 56.10 55.08 3k77 s TRP 125 Cb -0.11 -0.45 0.00 0.00 -1.15 0.00 0.00 33.47 31.76 3k77 s TRP 125 CO 0.10 -0.60 0.32 -0.40 0.02 0.00 0.00 176.95 176.39 3k77 n ASP 126 N -0.18 0.28 -4.26 2.95 5.75 -1.13 0.30 116.55 120.26 3k77 n ASP 126 Ca -0.03 -1.09 -0.24 0.00 -0.01 0.00 0.00 54.79 53.43 3k77 n ASP 126 Cb 0.64 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.61 3k77 n ASP 126 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k77 s ARG 127 N -0.09 1.15 -0.07 0.11 1.81 -0.66 -0.64 118.95 120.57 3k77 s ARG 127 Ca 0.00 -1.08 -0.03 0.00 -1.72 0.00 0.00 55.73 52.90 3k77 s ARG 127 Cb 0.00 -1.36 0.04 0.00 -0.45 0.00 0.00 34.95 33.19 3k77 s ARG 127 CO 0.00 0.32 0.13 0.08 -0.68 0.00 0.00 175.30 175.15 3k77 s VAL 128 N -1.07 -0.22 -0.21 3.52 1.01 -0.21 -2.01 120.40 121.21 3k77 s VAL 128 Ca 0.06 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 3k77 s VAL 128 Cb -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3k77 s VAL 128 CO 0.03 0.15 0.03 -0.75 0.00 0.00 0.00 175.10 174.57 3k77 s LYS 129 N 2.26 3.69 -0.20 2.72 2.20 0.79 0.19 119.74 131.39 3k77 s LYS 129 Ca 0.04 -0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 55.14 3k77 s LYS 129 Cb -0.12 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 3k77 s LYS 129 CO -0.05 -0.01 -0.04 0.42 -0.36 0.00 0.00 175.35 175.31 3k77 s ILE 130 N 1.09 3.49 -0.18 5.43 1.01 -0.26 -0.04 121.20 131.74 3k77 s ILE 130 Ca 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 3k77 s ILE 130 Cb -0.14 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3k77 s ILE 130 CO 0.02 0.44 -0.04 -0.69 0.00 0.00 0.00 174.94 174.68 3k77 s VAL 131 N 1.15 3.69 -0.08 2.92 1.01 0.93 -2.23 120.40 127.79 3k77 s VAL 131 Ca 0.02 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3k77 s VAL 131 Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3k77 s VAL 131 CO -0.01 0.46 -0.15 0.00 0.00 0.00 0.00 175.10 175.41 3k77 s SER 133 N -0.29 2.47 -0.42 0.00 0.01 -0.20 -1.06 113.70 114.20 3k77 s SER 133 Ca 0.02 -0.61 0.04 0.00 1.31 0.00 0.00 55.95 56.71 3k77 s SER 133 Cb -0.13 -0.16 0.17 0.00 0.21 0.00 0.00 66.02 66.11 3k77 s SER 133 CO 0.03 0.10 0.44 -1.58 0.41 0.00 0.00 173.24 172.63 3k77 s GLN 134 N -1.58 0.85 0.18 12.44 2.00 0.18 0.05 119.66 133.78 3k77 s GLN 134 Ca 0.07 -1.44 0.25 0.00 -2.00 0.00 0.00 55.36 52.23 3k77 s GLN 134 Cb -0.09 -0.87 0.51 0.00 0.80 0.00 0.00 33.01 33.36 3k77 s GLN 134 CO 0.03 -1.31 1.51 -1.35 -0.50 0.00 0.00 175.29 173.67 3k77 h PRO 135 N 5.99 0.00 0.00 1.67 0.11 -1.93 -3.36 132.00 134.48 3k77 h PRO 135 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3k77 h PRO 135 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3k77 h PRO 135 CO 0.23 0.00 -0.72 0.66 -0.21 0.00 0.00 178.00 177.96 3k77 n TYR 136 N -2.27 0.14 -3.68 0.65 4.01 -1.26 -4.86 117.16 109.88 3k77 n TYR 136 Ca 0.04 0.04 -0.10 0.00 -0.16 0.00 0.00 57.90 57.72 3k77 n TYR 136 Cb 0.45 -0.32 -0.10 0.00 -0.31 0.00 0.00 39.34 39.06 3k77 n TYR 136 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3k77 s SER 137 N -3.40 -0.53 -0.05 7.72 0.15 -1.26 -4.33 113.70 112.00 3k77 s SER 137 Ca 0.08 0.98 0.14 0.00 0.70 0.00 0.00 55.95 57.85 3k77 s SER 137 Cb 0.16 0.94 0.42 0.00 -1.71 0.00 0.00 66.02 65.83 3k77 s SER 137 CO 0.75 -0.20 1.35 0.29 1.20 0.00 0.00 173.24 176.63 3k77 n LYS 138 N 4.46 2.97 0.15 5.44 5.02 -1.26 -4.66 118.16 130.28 3k77 n LYS 138 Ca -0.21 -2.36 0.02 0.00 -2.02 0.00 0.00 58.31 53.74 3k77 n LYS 138 Cb 0.55 -1.49 0.16 0.00 -0.02 0.00 0.00 35.03 34.23 3k77 n LYS 138 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3k77 h ASP 139 N 2.31 0.00 -5.12 4.39 3.32 -1.94 -3.13 116.42 116.25 3k77 h ASP 139 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3k77 h ASP 139 Cb 0.99 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.37 3k77 h ASP 139 CO 0.08 0.55 -0.64 -0.44 -1.72 0.00 0.00 179.24 177.07 3k77 s SER 140 N -6.56 0.33 0.59 6.45 0.01 -1.26 -4.91 113.70 108.35 3k77 s SER 140 Ca 0.01 -0.72 -0.19 0.00 1.31 0.00 0.00 55.95 56.35 3k77 s SER 140 Cb 0.10 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 3k77 s SER 140 CO 0.74 -0.49 1.23 -2.84 0.41 0.00 0.00 173.24 172.28 3k77 s PRO 141 N -2.86 2.97 0.18 12.44 0.02 -1.26 -4.07 135.00 142.42 3k77 s PRO 141 Ca -0.03 1.89 -0.04 0.00 0.02 0.00 0.00 61.00 62.85 3k77 s PRO 141 Cb 0.00 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 3k77 s PRO 141 CO -0.06 -1.22 0.18 -0.59 -0.33 0.00 0.00 177.00 174.98 3k77 s PHE 142 N -1.54 0.85 0.00 6.54 -0.12 -1.26 -4.90 117.98 117.55 3k77 s PHE 142 Ca 0.77 -1.16 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 3k77 s PHE 142 Cb -0.32 -0.36 0.00 0.00 -0.63 0.00 0.00 43.02 41.71 3k77 s PHE 142 CO 0.35 -0.66 0.00 0.41 -0.05 0.00 0.00 175.22 175.27 3k77 n GLY 143 N -0.23 -0.87 3.30 1.99 0.00 -0.46 -1.44 105.19 107.49 3k77 n GLY 143 Ca -0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3k77 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k77 s LEU 144 N 0.00 2.41 -0.14 0.99 1.43 -0.44 -2.44 118.68 120.49 3k77 s LEU 144 Ca 0.00 -0.83 -0.15 0.00 -1.03 0.00 0.00 54.13 52.13 3k77 s LEU 144 Cb 0.00 -0.77 -0.25 0.00 0.03 0.00 0.00 46.19 45.21 3k77 s LEU 144 CO 0.00 -0.05 0.41 -1.28 0.23 0.00 0.00 176.35 175.66 3k77 h SER 145 N 3.42 0.29 -5.01 2.29 0.87 0.62 -1.07 113.55 114.96 3k77 h SER 145 Ca -0.42 -0.80 0.03 0.00 -1.23 0.00 0.00 61.79 59.37 3k77 h SER 145 Cb 1.20 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 3k77 h SER 145 CO 0.49 1.66 0.24 0.72 -0.53 0.00 0.00 176.83 179.42 3k77 s PHE 146 N -2.47 -0.04 -0.15 2.24 -0.12 -1.11 -4.22 117.98 112.11 3k77 s PHE 146 Ca -0.23 -0.51 -0.11 0.00 -0.05 0.00 0.00 56.93 56.03 3k77 s PHE 146 Cb 0.05 0.76 0.05 0.00 -0.63 0.00 0.00 43.02 43.25 3k77 s PHE 146 CO 0.72 -1.38 0.38 0.54 -0.05 0.00 0.00 175.22 175.43 3k77 s VAL 147 N -3.21 -0.02 -0.10 -2.49 0.11 -1.26 -1.44 120.40 112.00 3k77 s VAL 147 Ca 0.13 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 3k77 s VAL 147 Cb -0.06 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3k77 s VAL 147 CO 0.09 0.02 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.63 3k77 s ARG 148 N 0.90 1.88 -0.00 1.54 0.52 -0.28 -4.58 118.95 118.93 3k77 s ARG 148 Ca -0.06 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 3k77 s ARG 148 Cb -0.06 -1.66 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 3k77 s ARG 148 CO -0.07 -0.09 0.05 -0.06 0.02 0.00 0.00 175.30 175.15 3k77 s PHE 149 N 1.07 3.19 -0.00 -0.53 0.08 -1.26 -0.74 117.98 119.78 3k77 s PHE 149 Ca -0.06 0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.17 3k77 s PHE 149 Cb -0.15 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 3k77 s PHE 149 CO -0.02 0.51 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.49 3k77 s HIS 150 N -1.15 1.00 0.62 0.36 3.76 -0.91 -0.40 115.29 118.57 3k77 s HIS 150 Ca 0.21 -0.21 -0.06 0.00 -0.15 0.00 0.00 55.06 54.85 3k77 s HIS 150 Cb -0.12 -0.64 0.02 0.00 1.11 0.00 0.00 32.58 32.95 3k77 s HIS 150 CO 0.12 -0.01 0.93 -1.54 -0.85 0.00 0.00 174.74 173.39 3k77 s SER 151 N -0.37 5.47 0.55 1.40 1.04 0.11 0.11 113.70 122.01 3k77 s SER 151 Ca 0.04 0.71 -0.22 0.00 0.48 0.00 0.00 55.95 56.96 3k77 s SER 151 Cb -0.05 -1.64 -0.05 0.00 0.10 0.00 0.00 66.02 64.38 3k77 s SER 151 CO -0.00 -1.16 1.35 -2.65 0.98 0.00 0.00 173.24 171.76 3k77 n PRO 152 N -2.66 1.67 0.00 4.02 -0.02 -1.25 -3.08 135.00 133.68 3k77 n PRO 152 Ca 0.05 0.62 0.15 0.00 -2.02 0.00 0.00 63.50 62.30 3k77 n PRO 152 Cb 0.58 -2.56 0.90 0.00 -0.02 0.00 0.00 33.50 32.39 3k77 n PRO 152 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18