#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 -0.18 118.70 123.22 3k77 s GLU 3 Ca 0.00 2.44 -0.30 0.00 0.36 0.00 0.00 54.97 57.48 3k77 s GLU 3 Cb 0.00 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.21 3k77 s GLU 3 CO 0.00 -0.60 0.93 0.42 -0.54 0.00 0.00 175.26 175.47 3k77 s ILE 4 N 0.67 4.31 -0.06 -3.70 1.01 0.48 -4.82 121.20 119.09 3k77 s ILE 4 Ca 0.67 2.04 -0.17 0.00 0.00 0.00 0.00 60.65 63.19 3k77 s ILE 4 Cb -0.45 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.66 3k77 s ILE 4 CO 0.37 0.41 0.47 -0.13 0.00 0.00 0.00 174.94 176.07 3k77 s ARG 5 N -0.60 4.22 -0.20 2.79 0.52 -1.26 -4.67 118.95 119.74 3k77 s ARG 5 Ca 0.43 0.48 -0.08 0.00 -0.52 0.00 0.00 55.73 56.05 3k77 s ARG 5 Cb -0.24 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 3k77 s ARG 5 CO 0.30 0.35 0.08 -0.51 0.02 0.00 0.00 175.30 175.54 3k77 s LEU 6 N -0.03 3.76 -0.09 2.53 1.43 -1.26 -1.79 118.68 123.23 3k77 s LEU 6 Ca 0.26 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3k77 s LEU 6 Cb -0.16 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 3k77 s LEU 6 CO 0.12 0.11 0.03 -0.09 0.23 0.00 0.00 176.35 176.76 3k77 h ARG 7 N 7.13 -0.03 -3.40 1.70 2.43 0.28 -3.45 114.38 119.04 3k77 h ARG 7 Ca -0.37 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.76 3k77 h ARG 7 Cb 1.17 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.67 3k77 h ARG 7 CO 0.67 -0.02 0.05 -3.38 -1.51 0.00 0.00 179.97 175.78 3k77 s HIS 8 N -1.62 0.26 -0.27 2.20 -3.43 -1.16 -5.00 115.29 106.27 3k77 s HIS 8 Ca -0.00 -0.69 -0.19 0.00 -0.80 0.00 0.00 55.06 53.37 3k77 s HIS 8 Cb 0.00 0.43 -0.02 0.00 -1.43 0.00 0.00 32.58 31.56 3k77 s HIS 8 CO 0.01 -1.20 0.58 0.08 -2.00 0.00 0.00 174.74 172.22 3k77 s VAL 9 N -3.50 5.00 0.03 -5.38 1.01 -1.26 -0.41 120.40 115.89 3k77 s VAL 9 Ca 0.19 0.93 -0.14 0.00 0.00 0.00 0.00 61.98 62.97 3k77 s VAL 9 Cb -0.03 -3.92 -0.34 0.00 0.00 0.00 0.00 36.38 32.09 3k77 s VAL 9 CO 0.11 -0.01 1.01 0.58 0.00 0.00 0.00 175.10 176.78 3k77 h VAL 10 N 5.45 1.30 -3.16 2.92 2.07 -0.43 -3.48 116.25 120.92 3k77 h VAL 10 Ca -0.28 -2.76 -0.02 0.00 0.82 0.00 0.00 66.70 64.47 3k77 h VAL 10 Cb 1.13 3.01 -0.11 0.00 -1.52 0.00 0.00 31.29 33.80 3k77 h VAL 10 CO 0.76 0.83 0.10 -0.94 0.02 0.00 0.00 177.57 178.34 3k77 s SER 11 N -7.50 -0.39 -0.22 0.57 1.04 -1.17 -4.96 113.70 101.06 3k77 s SER 11 Ca -0.08 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.00 3k77 s SER 11 Cb 0.05 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.82 3k77 s SER 11 CO 0.93 -0.99 0.52 0.00 0.98 0.00 0.00 173.24 174.67 3k77 h SER 13 N 7.39 0.00 -2.73 0.00 4.64 -0.52 -3.46 113.55 118.87 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 0.20 0.38 0.51 -0.55 -0.87 0.00 0.00 176.83 176.50 3k77 s SER 14 N -6.47 -0.39 0.06 4.97 0.15 -1.26 -4.90 113.70 105.85 3k77 s SER 14 Ca -0.00 0.69 -0.18 0.00 0.70 0.00 0.00 55.95 57.15 3k77 s SER 14 Cb 0.11 0.90 0.04 0.00 -1.71 0.00 0.00 66.02 65.36 3k77 s SER 14 CO 0.69 -0.11 0.43 0.00 1.20 0.00 0.00 173.24 175.44 3k77 s GLN 15 N 0.67 0.97 0.55 5.44 -2.07 -1.26 -4.46 119.66 119.50 3k77 s GLN 15 Ca -0.01 -0.42 -0.06 0.00 -1.82 0.00 0.00 55.36 53.05 3k77 s GLN 15 Cb -0.04 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 3k77 s GLN 15 CO -0.11 -0.35 0.86 0.34 -1.32 0.00 0.00 175.29 174.71 3k77 s ASP 16 N -2.17 5.90 0.25 12.60 -1.08 -0.18 -3.44 116.67 128.54 3k77 s ASP 16 Ca -0.04 0.83 0.04 0.00 -0.52 0.00 0.00 52.55 52.86 3k77 s ASP 16 Cb -0.00 -1.96 0.29 0.00 -1.46 0.00 0.00 42.92 39.79 3k77 s ASP 16 CO -0.04 -0.85 1.60 0.77 0.52 0.00 0.00 175.17 177.16 3k77 h SER 17 N -0.01 0.34 0.00 -0.34 4.64 -1.93 -3.17 113.55 113.07 3k77 h SER 17 Ca -0.46 -0.17 -0.37 0.00 -0.47 0.00 0.00 61.79 60.32 3k77 h SER 17 Cb 1.23 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.17 3k77 h SER 17 CO 0.61 0.80 -2.05 0.35 -0.87 0.00 0.00 176.83 175.67 3k77 n THR 18 N -3.94 1.53 -2.61 2.95 -2.24 -1.26 -4.62 114.28 104.08 3k77 n THR 18 Ca -0.02 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 3k77 n THR 18 Cb 0.57 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 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 -4.32 3.75 -3.47 4.78 8.25 -1.25 -4.88 115.22 118.07 3k77 n HIS 19 Ca -0.46 -3.02 -0.21 0.00 -0.26 0.00 0.00 57.72 53.77 3k77 n HIS 19 Cb 0.80 -2.01 -0.00 0.00 1.12 0.00 0.00 29.99 29.90 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 0.84 1.99 -0.27 0.00 0.00 -1.86 -1.55 119.26 118.40 3k77 h ALA 21 Ca -0.47 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.54 3k77 h ALA 21 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3k77 h ALA 21 CO 0.56 -0.27 0.32 1.05 0.00 0.00 0.00 179.25 180.91 3k77 h GLU 22 N 0.56 0.00 0.00 0.00 4.11 -1.94 -1.09 114.58 116.22 3k77 h GLU 22 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 3k77 h GLU 22 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3k77 h GLU 22 CO -0.22 0.00 0.00 0.09 0.07 0.00 0.00 179.01 178.95 3k77 n ASN 23 N -3.69 0.55 0.01 3.06 3.02 -0.58 -2.52 115.26 115.10 3k77 n ASN 23 Ca 0.04 0.68 0.12 0.00 -0.03 0.00 0.00 54.58 55.38 3k77 n ASN 23 Cb 0.46 -0.78 0.19 0.00 -0.61 0.00 0.00 39.78 39.04 3k77 n ASN 23 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3k77 n LEU 24 N -2.15 0.57 0.11 3.41 4.77 -0.41 -4.16 117.00 119.13 3k77 n LEU 24 Ca 0.01 -0.04 0.03 0.00 -0.03 0.00 0.00 56.01 55.98 3k77 n LEU 24 Cb 0.15 -0.21 0.40 0.00 -2.33 0.00 0.00 43.42 41.44 3k77 n LEU 24 CO 0.15 0.12 0.93 -0.07 -1.33 0.00 0.00 177.39 177.19 3k77 h LEU 25 N 0.00 0.26 -7.80 2.23 3.38 -1.66 -3.41 115.31 108.31 3k77 h LEU 25 Ca 0.00 -0.04 -0.44 0.00 0.09 0.00 0.00 57.88 57.48 3k77 h LEU 25 Cb 0.54 -0.07 -0.34 0.00 0.09 0.00 0.00 40.66 40.88 3k77 h LEU 25 CO 0.00 0.37 -0.79 -0.54 0.09 0.00 0.00 178.44 177.57 3k77 s LYS 26 N -4.85 1.10 0.53 1.13 1.02 -1.26 -4.23 119.74 113.17 3k77 s LYS 26 Ca -0.06 -0.19 0.31 0.00 0.02 0.00 0.00 55.97 56.05 3k77 s LYS 26 Cb 0.16 -1.04 1.19 0.00 -0.52 0.00 0.00 37.83 37.62 3k77 s LYS 26 CO 0.73 -0.07 1.92 0.00 -0.92 0.00 0.00 175.35 177.01 3k77 h ALA 27 N 7.21 1.00 -0.86 5.17 0.00 -1.81 -3.17 119.26 126.79 3k77 h ALA 27 Ca -0.35 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.79 3k77 h ALA 27 Cb 1.16 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3k77 h ALA 27 CO 0.46 0.03 0.62 -0.44 0.00 0.00 0.00 179.25 179.92 3k77 h ASP 28 N 0.00 0.03 0.53 0.00 3.32 -1.95 -3.23 116.42 115.11 3k77 h ASP 28 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 3k77 h ASP 28 Cb 0.60 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3k77 h ASP 28 CO 0.00 0.01 -0.58 0.74 -1.72 0.00 0.00 179.24 177.69 3k77 h THR 29 N 0.03 1.41 -1.13 0.35 2.02 -1.88 -3.46 112.91 110.25 3k77 h THR 29 Ca 0.41 -1.97 -0.31 0.00 0.77 0.00 0.00 66.41 65.31 3k77 h THR 29 Cb 1.62 2.05 -0.10 0.00 -1.74 0.00 0.00 68.15 69.98 3k77 h THR 29 CO -0.02 0.57 -0.32 -1.22 0.37 0.00 0.00 175.52 174.91 3k77 n TYR 30 N -3.86 -0.20 -4.09 3.16 0.53 -1.22 -5.01 117.16 106.48 3k77 n TYR 30 Ca -0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.54 3k77 n TYR 30 Cb 0.59 -2.83 -0.07 0.00 -1.03 0.00 0.00 39.34 35.99 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 -3.70 3.03 0.23 -0.72 0.52 -1.26 -5.12 118.95 111.93 3k77 s ARG 31 Ca 0.00 -0.53 0.07 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 0.12 0.15 0.02 0.00 0.00 175.30 176.22 3k77 s LYS 32 N -1.88 2.72 -0.15 3.54 1.02 -1.26 -4.66 119.74 119.06 3k77 s LYS 32 Ca 0.24 -1.11 -0.02 0.00 0.02 0.00 0.00 55.97 55.10 3k77 s LYS 32 Cb -0.12 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 3k77 s LYS 32 CO 0.16 0.41 -0.08 -0.46 -0.92 0.00 0.00 175.35 174.47 3k77 s TRP 33 N -2.06 2.93 0.06 3.18 -0.00 -0.45 -3.37 118.94 119.23 3k77 s TRP 33 Ca 0.32 -0.52 0.01 0.00 -0.00 0.00 0.00 56.10 55.90 3k77 s TRP 33 Cb -0.08 -1.93 -0.04 0.00 -0.00 0.00 0.00 33.47 31.42 3k77 s TRP 33 CO 0.23 -0.17 -0.05 1.03 -0.00 0.00 0.00 176.95 177.98 3k77 s ARG 34 N 0.50 0.65 0.59 5.86 0.52 -0.31 -1.46 118.95 125.30 3k77 s ARG 34 Ca -0.06 -1.13 -0.19 0.00 -0.52 0.00 0.00 55.73 53.83 3k77 s ARG 34 Cb -0.15 -0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 3k77 s ARG 34 CO 0.03 -0.05 1.20 0.00 0.02 0.00 0.00 175.30 176.50 3k77 s ALA 35 N -3.18 2.56 0.44 2.13 0.00 -0.63 -1.01 121.76 122.08 3k77 s ALA 35 Ca 0.04 0.99 0.11 0.00 0.00 0.00 0.00 51.96 53.10 3k77 s ALA 35 Cb 0.02 -3.44 0.98 0.00 0.00 0.00 0.00 23.12 20.69 3k77 s ALA 35 CO -0.06 -1.12 2.05 0.00 0.00 0.00 0.00 175.76 176.64 3k77 h ALA 36 N 0.92 1.75 -2.63 0.00 0.00 -1.77 -3.36 119.26 114.16 3k77 h ALA 36 Ca -0.50 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.19 3k77 h ALA 36 Cb 1.29 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 3k77 h ALA 36 CO 0.55 0.20 -0.68 0.15 0.00 0.00 0.00 179.25 179.47 3k77 s LYS 37 N -5.10 0.46 0.51 0.00 -0.14 -1.26 -4.84 119.74 109.37 3k77 s LYS 37 Ca -0.06 -0.89 -0.20 0.00 -1.36 0.00 0.00 55.97 53.46 3k77 s LYS 37 Cb 0.17 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 1.10 0.00 -0.76 0.00 0.00 175.35 176.32 3k77 s ALA 38 N -2.60 2.78 0.00 5.17 0.00 -1.26 -4.03 121.76 121.83 3k77 s ALA 38 Ca -0.05 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3k77 s ALA 38 Cb -0.02 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3k77 s ALA 38 CO -0.05 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.51 3k77 n GLY 39 N 0.07 0.75 3.63 0.00 0.00 -1.18 -4.91 105.19 103.55 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 -0.48 4.02 0.42 1.61 2.02 -1.26 -4.94 118.70 120.11 3k77 s GLU 40 Ca 0.00 1.00 0.08 0.00 0.02 0.00 0.00 54.97 56.07 3k77 s GLU 40 Cb 0.00 -3.76 0.91 0.00 0.10 0.00 0.00 34.13 31.38 3k77 s GLU 40 CO 0.00 -0.95 2.06 0.87 0.02 0.00 0.00 175.26 177.26 3k77 h LYS 41 N 8.23 0.45 -3.62 1.61 1.57 -1.95 -3.43 116.57 119.42 3k77 h LYS 41 Ca -0.21 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 3k77 h LYS 41 Cb 1.06 -0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.11 3k77 h LYS 41 CO 1.04 0.31 -0.36 0.95 -0.57 0.00 0.00 179.45 180.82 3k77 s THR 42 N -5.38 0.12 0.13 -0.16 -4.23 -1.26 -0.77 115.64 104.07 3k77 s THR 42 Ca -0.08 -0.96 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 3k77 s THR 42 Cb 0.17 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.93 3k77 s THR 42 CO 0.72 -0.53 0.19 0.27 -0.54 0.00 0.00 174.62 174.73 3k77 s ILE 43 N -3.05 0.11 -0.05 2.99 -4.36 -0.19 -5.00 121.20 111.65 3k77 s ILE 43 Ca -0.01 -1.45 -0.20 0.00 -0.26 0.00 0.00 60.65 58.73 3k77 s ILE 43 Cb 0.01 -1.69 0.04 0.00 1.25 0.00 0.00 42.46 42.07 3k77 s ILE 43 CO -0.07 -0.49 0.45 -0.55 0.24 0.00 0.00 174.94 174.52 3k77 s SER 44 N -2.94 -0.38 -0.02 4.36 0.15 -1.26 -1.33 113.70 112.28 3k77 s SER 44 Ca 0.14 0.40 -0.03 0.00 0.70 0.00 0.00 55.95 57.16 3k77 s SER 44 Cb 0.05 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 3k77 s SER 44 CO -0.04 -0.46 0.07 0.68 1.20 0.00 0.00 173.24 174.69 3k77 s VAL 45 N -1.07 0.02 -0.20 4.45 -7.23 -0.90 0.31 120.40 115.78 3k77 s VAL 45 Ca -0.11 -0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 59.84 3k77 s VAL 45 Cb -0.03 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.72 3k77 s VAL 45 CO 0.06 -0.10 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.04 3k77 s VAL 46 N -0.28 3.79 -0.11 1.32 1.01 -0.35 -1.00 120.40 124.78 3k77 s VAL 46 Ca -0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3k77 s VAL 46 Cb -0.02 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3k77 s VAL 46 CO 0.00 0.43 0.02 -0.76 0.00 0.00 0.00 175.10 174.79 3k77 s LEU 47 N 1.06 3.67 -0.22 3.92 1.43 0.99 0.36 118.68 129.89 3k77 s LEU 47 Ca 0.02 0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 3k77 s LEU 47 Cb -0.14 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3k77 s LEU 47 CO 0.01 0.34 0.37 -1.58 0.23 0.00 0.00 176.35 175.73 3k77 s GLN 48 N -0.65 4.14 0.59 1.70 2.00 0.45 -1.03 119.66 126.85 3k77 s GLN 48 Ca 0.11 0.13 -0.15 0.00 -2.00 0.00 0.00 55.36 53.45 3k77 s GLN 48 Cb -0.12 -3.56 -0.04 0.00 0.80 0.00 0.00 33.01 30.10 3k77 s GLN 48 CO 0.02 -0.07 1.04 -0.51 -0.50 0.00 0.00 175.29 175.28 3k77 s LEU 49 N 1.42 3.47 0.24 3.68 1.43 0.37 0.89 118.68 130.18 3k77 s LEU 49 Ca 0.17 1.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.98 3k77 s LEU 49 Cb -0.15 -4.52 0.27 0.00 0.03 0.00 0.00 46.19 41.82 3k77 s LEU 49 CO 0.08 -1.08 1.69 -0.33 0.23 0.00 0.00 176.35 176.94 3k77 h GLU 50 N 0.36 0.75 -4.47 1.70 5.08 -1.67 -3.41 114.58 112.93 3k77 h GLU 50 Ca -0.46 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 57.45 3k77 h GLU 50 Cb 1.21 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.25 3k77 h GLU 50 CO 0.58 0.85 -0.66 -1.59 -1.00 0.00 0.00 179.01 177.19 3k77 s LYS 51 N -4.75 0.90 0.14 2.33 -2.85 -1.26 -5.01 119.74 109.24 3k77 s LYS 51 Ca -0.09 -1.42 -0.31 0.00 -1.00 0.00 0.00 55.97 53.16 3k77 s LYS 51 Cb 0.14 0.12 -0.08 0.00 -2.06 0.00 0.00 37.83 35.95 3k77 s LYS 51 CO 0.82 -0.20 1.32 -2.00 0.10 0.00 0.00 175.35 175.38 3k77 s GLU 52 N -3.99 4.38 0.09 1.78 2.12 -1.26 -4.67 118.70 117.14 3k77 s GLU 52 Ca 0.21 2.00 -0.10 0.00 0.36 0.00 0.00 54.97 57.44 3k77 s GLU 52 Cb 0.07 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.23 3k77 s GLU 52 CO -0.00 -0.31 0.23 -1.21 -0.54 0.00 0.00 175.26 173.43 3k77 s GLU 53 N 0.56 0.87 -0.13 4.30 2.02 0.16 -4.84 118.70 121.64 3k77 s GLU 53 Ca 0.60 -0.86 -0.16 0.00 0.02 0.00 0.00 54.97 54.57 3k77 s GLU 53 Cb -0.35 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 3k77 s GLU 53 CO 0.33 -0.29 0.40 -1.14 0.02 0.00 0.00 175.26 174.59 3k77 s GLN 54 N -3.65 4.28 -0.22 1.61 0.74 -1.26 -0.64 119.66 120.52 3k77 s GLN 54 Ca 0.03 0.31 -0.17 0.00 0.05 0.00 0.00 55.36 55.59 3k77 s GLN 54 Cb 0.03 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 3k77 s GLN 54 CO -0.10 0.22 0.44 0.42 -0.55 0.00 0.00 175.29 175.72 3k77 s ILE 55 N 0.46 5.15 -0.19 -2.34 1.01 -1.26 -3.79 121.20 120.24 3k77 s ILE 55 Ca 0.22 0.77 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 3k77 s ILE 55 Cb -0.14 -3.76 -0.22 0.00 0.01 0.00 0.00 42.46 38.35 3k77 s ILE 55 CO 0.08 0.19 0.08 1.57 0.00 0.00 0.00 174.94 176.86 3k77 n HIS 56 N 4.85 0.60 -3.73 3.97 -0.00 0.16 -4.89 115.22 116.18 3k77 n HIS 56 Ca -0.07 0.13 -0.11 0.00 -0.00 0.00 0.00 57.72 57.68 3k77 n HIS 56 Cb 0.51 -1.08 -0.06 0.00 -0.00 0.00 0.00 29.99 29.35 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 -6.70 -0.12 -0.07 0.26 0.15 -1.13 -2.47 113.70 103.61 3k77 s SER 57 Ca -0.27 -0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.05 3k77 s SER 57 Cb 0.08 0.40 0.04 0.00 -1.71 0.00 0.00 66.02 64.82 3k77 s SER 57 CO 0.69 -0.71 0.11 -0.69 1.20 0.00 0.00 173.24 173.83 3k77 s VAL 58 N -3.18 -0.18 -0.15 4.45 1.01 -0.18 -2.08 120.40 120.09 3k77 s VAL 58 Ca -0.01 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 3k77 s VAL 58 Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3k77 s VAL 58 CO -0.07 0.15 0.10 -1.81 0.00 0.00 0.00 175.10 173.46 3k77 s ASP 59 N 2.22 5.97 -0.10 3.32 1.01 0.12 -0.42 116.67 128.79 3k77 s ASP 59 Ca 0.04 0.26 0.02 0.00 0.71 0.00 0.00 52.55 53.58 3k77 s ASP 59 Cb -0.12 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 41.87 3k77 s ASP 59 CO -0.04 0.29 -0.15 -0.63 0.21 0.00 0.00 175.17 174.85 3k77 s ILE 60 N -0.34 1.45 -0.35 0.77 -1.09 -0.37 -1.11 121.20 120.16 3k77 s ILE 60 Ca 0.10 -0.62 -0.10 0.00 -2.23 0.00 0.00 60.65 57.79 3k77 s ILE 60 Cb -0.12 -1.32 0.02 0.00 -1.58 0.00 0.00 42.46 39.46 3k77 s ILE 60 CO 0.01 0.43 0.19 -0.83 -1.23 0.00 0.00 174.94 173.51 3k77 s GLY 61 N 0.92 1.91 0.99 6.18 0.00 -0.51 -0.87 107.32 115.94 3k77 s GLY 61 Ca -0.08 -1.63 -0.13 0.00 0.00 0.00 0.00 44.72 42.89 3k77 s GLY 61 CO -0.00 0.80 1.10 0.21 0.00 0.00 0.00 173.10 175.21 3k77 s ASN 62 N 1.56 2.73 -0.41 1.64 2.47 -0.49 0.11 114.94 122.55 3k77 s ASN 62 Ca 0.03 1.10 0.05 0.00 0.42 0.00 0.00 52.86 54.46 3k77 s ASN 62 Cb -0.19 -1.74 0.32 0.00 -1.45 0.00 0.00 41.25 38.20 3k77 s ASN 62 CO 0.06 -3.05 1.22 -0.67 -3.72 0.00 0.00 177.10 170.94 3k77 n ASP 63 N -4.11 -1.93 0.00 -4.21 2.03 -0.52 -3.41 116.55 104.41 3k77 n ASP 63 Ca 0.05 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.37 3k77 n ASP 63 Cb 0.58 1.62 0.00 0.00 -0.72 0.00 0.00 41.12 42.60 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 0.34 0.29 3.84 0.27 0.00 -0.55 -0.99 105.19 108.38 3k77 n GLY 64 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.10 6.79 -0.17 1.61 0.01 -1.25 -4.74 113.70 113.86 3k77 s SER 65 Ca 0.00 1.54 0.08 0.00 1.31 0.00 0.00 55.95 58.88 3k77 s SER 65 Cb 0.00 -2.48 -0.23 0.00 0.21 0.00 0.00 66.02 63.52 3k77 s SER 65 CO 0.00 -0.39 0.18 0.00 0.41 0.00 0.00 173.24 173.43 3k77 n ALA 66 N -0.88 1.37 -2.75 1.44 0.00 0.12 -4.19 120.51 115.61 3k77 n ALA 66 Ca 0.06 -1.01 -0.17 0.00 0.00 0.00 0.00 53.44 52.32 3k77 n ALA 66 Cb 0.54 -0.40 -0.12 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.53 0.94 -0.02 0.00 0.08 -0.91 -1.25 117.98 114.28 3k77 s PHE 67 Ca -0.18 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.47 3k77 s PHE 67 Cb 0.07 -0.55 0.01 0.00 -0.57 0.00 0.00 43.02 41.98 3k77 s PHE 67 CO 0.76 -0.01 -0.03 0.08 -0.10 0.00 0.00 175.22 175.92 3k77 s VAL 68 N -1.09 0.30 0.01 -0.44 1.01 -0.14 -1.27 120.40 118.78 3k77 s VAL 68 Ca -0.04 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.93 3k77 s VAL 68 Cb -0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3k77 s VAL 68 CO 0.01 0.13 -0.17 -0.70 0.00 0.00 0.00 175.10 174.37 3k77 s GLU 69 N 0.46 1.32 -0.13 2.72 2.12 0.83 -0.94 118.70 125.08 3k77 s GLU 69 Ca -0.05 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 54.59 3k77 s GLU 69 Cb -0.08 -1.32 0.02 0.00 0.26 0.00 0.00 34.13 33.00 3k77 s GLU 69 CO -0.01 0.35 -0.17 0.08 -0.54 0.00 0.00 175.26 174.98 3k77 s VAL 70 N -0.56 1.69 0.23 3.70 1.01 -0.81 -0.24 120.40 125.43 3k77 s VAL 70 Ca 0.06 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.40 3k77 s VAL 70 Cb -0.07 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3k77 s VAL 70 CO 0.00 0.48 -0.12 -0.76 0.00 0.00 0.00 175.10 174.70 3k77 s LEU 71 N 1.08 2.86 0.04 3.92 1.02 0.90 -0.81 118.68 127.69 3k77 s LEU 71 Ca -0.03 -0.75 0.07 0.00 0.02 0.00 0.00 54.13 53.44 3k77 s LEU 71 Cb -0.14 -1.47 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 3k77 s LEU 71 CO -0.05 0.06 -0.21 0.68 0.02 0.00 0.00 176.35 176.86 3k77 s VAL 72 N -2.05 1.68 0.19 -1.59 -7.23 0.15 0.02 120.40 111.57 3k77 s VAL 72 Ca 0.27 -1.19 -0.02 0.00 -1.81 0.00 0.00 61.98 59.23 3k77 s VAL 72 Cb -0.07 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.42 3k77 s VAL 72 CO 0.16 0.23 0.28 0.61 -0.31 0.00 0.00 175.10 176.07 3k77 n GLY 73 N 1.89 2.38 3.24 2.32 0.00 -0.75 -0.46 105.19 113.81 3k77 n GLY 73 Ca -0.17 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.11 2.30 0.20 1.61 0.15 -1.26 -1.66 113.70 112.93 3k77 s SER 74 Ca 0.14 -0.57 0.26 0.00 0.70 0.00 0.00 55.95 56.47 3k77 s SER 74 Cb -0.01 -0.16 0.69 0.00 -1.71 0.00 0.00 66.02 64.83 3k77 s SER 74 CO 0.10 0.09 1.67 0.77 1.20 0.00 0.00 173.24 177.07 3k77 h SER 75 N 4.59 0.00 -3.29 5.45 4.64 -1.88 -3.38 113.55 119.68 3k77 h SER 75 Ca -0.43 -0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.32 3k77 h SER 75 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3k77 h SER 75 CO 0.42 0.02 0.54 0.00 -0.87 0.00 0.00 176.83 176.94 3k77 s ALA 76 N -3.12 3.38 -1.14 5.18 0.00 -1.26 -2.91 121.76 121.89 3k77 s ALA 76 Ca 0.10 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3k77 s ALA 76 Cb 0.12 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3k77 s ALA 76 CO 0.63 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.41 3k77 n GLY 77 N 2.93 -0.14 5.06 0.00 0.00 -1.26 -4.74 105.19 107.03 3k77 n GLY 77 Ca 0.07 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.02 -1.53 2.82 -0.02 0.00 -1.14 -4.87 105.19 99.43 3k77 n GLY 78 Ca -0.16 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.74 -0.53 0.68 4.61 0.00 -1.26 -4.57 121.76 118.94 3k77 s ALA 79 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.48 3k77 s ALA 79 Cb 0.00 -1.41 0.12 0.00 0.00 0.00 0.00 23.12 21.83 3k77 s ALA 79 CO 0.00 -1.19 0.93 0.20 0.00 0.00 0.00 175.76 175.71 3k77 s GLY 80 N 2.40 1.75 0.08 0.00 0.00 -1.26 -4.95 107.32 105.34 3k77 s GLY 80 Ca 0.08 -1.85 -0.30 0.00 0.00 0.00 0.00 44.72 42.65 3k77 s GLY 80 CO -0.13 -1.31 1.65 0.83 0.00 0.00 0.00 173.10 174.14 3k77 h GLU 81 N -0.32 -0.65 -0.59 2.90 4.39 -2.01 -2.06 114.58 116.24 3k77 h GLU 81 Ca -0.34 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3k77 h GLU 81 Cb 1.27 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3k77 h GLU 81 CO 0.40 -0.43 0.00 1.04 -1.16 0.00 0.00 179.01 178.86 3k77 n GLN 82 N -5.39 0.77 -0.06 2.33 1.13 -1.26 -3.31 117.38 111.60 3k77 n GLN 82 Ca -0.11 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.92 3k77 n GLN 82 Cb 0.29 -1.29 -0.14 0.00 0.11 0.00 0.00 30.24 29.21 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 -0.03 0.72 -4.70 1.08 4.64 -0.77 -4.94 116.55 112.54 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 1.21 -0.03 0.00 -1.04 0.00 0.00 41.12 41.41 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 -2.69 3.61 0.34 -0.67 1.51 -1.21 -4.78 117.35 113.47 3k77 s TYR 84 Ca -0.08 1.65 -0.16 0.00 -1.01 0.00 0.00 57.07 57.46 3k77 s TYR 84 Cb 0.07 -3.13 -0.09 0.00 -0.11 0.00 0.00 41.96 38.70 3k77 s TYR 84 CO 0.73 -0.07 0.78 -2.00 -1.11 0.00 0.00 175.55 173.88 3k77 s GLU 85 N 1.32 4.05 -0.11 -0.62 2.56 0.39 -4.85 118.70 121.44 3k77 s GLU 85 Ca 0.50 0.77 -0.26 0.00 0.00 0.00 0.00 54.97 55.98 3k77 s GLU 85 Cb -0.20 -2.38 -0.02 0.00 2.00 0.00 0.00 34.13 33.52 3k77 s GLU 85 CO 0.24 0.12 0.85 0.08 -0.56 0.00 0.00 175.26 176.00 3k77 s VAL 86 N -2.02 4.90 -0.27 3.70 1.01 -1.26 0.32 120.40 126.78 3k77 s VAL 86 Ca 0.56 1.71 -0.14 0.00 0.00 0.00 0.00 61.98 64.11 3k77 s VAL 86 Cb -0.10 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 3k77 s VAL 86 CO 0.17 0.09 -0.33 -0.11 0.00 0.00 0.00 175.10 174.92 3k77 n LEU 87 N 4.68 1.95 -4.20 3.92 7.94 0.01 -4.62 117.00 126.69 3k77 n LEU 87 Ca 0.04 0.34 -0.35 0.00 -1.11 0.00 0.00 56.01 54.93 3k77 n LEU 87 Cb 0.50 -0.82 -0.14 0.00 0.53 0.00 0.00 43.42 43.49 3k77 n LEU 87 CO 0.49 0.54 -0.35 -0.22 -1.11 0.00 0.00 177.39 176.75 3k77 s LEU 88 N -7.54 3.83 0.73 -1.96 2.96 -0.12 -0.57 118.68 116.02 3k77 s LEU 88 Ca -0.38 -1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 52.20 3k77 s LEU 88 Cb 0.14 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 45.14 3k77 s LEU 88 CO 0.49 -0.24 1.25 0.55 -1.32 0.00 0.00 176.35 177.08 3k77 n VAL 89 N 4.66 3.56 -1.50 1.68 3.14 -1.26 -1.92 118.33 126.70 3k77 n VAL 89 Ca -0.14 -0.36 -0.62 0.00 -2.96 0.00 0.00 64.34 60.26 3k77 n VAL 89 Cb 0.44 -1.35 -0.10 0.00 -1.06 0.00 0.00 33.84 31.77 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 -2.59 0.04 -4.81 1.55 -1.04 -1.26 -4.79 114.28 101.39 3k77 n THR 90 Ca 0.15 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.81 3k77 n THR 90 Cb 0.49 -0.66 -0.13 0.00 -1.82 0.00 0.00 70.33 68.22 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 4.75 3.97 0.22 8.00 0.01 -0.12 -4.93 113.70 125.60 3k77 s SER 91 Ca 1.12 -0.27 -0.23 0.00 1.31 0.00 0.00 55.95 57.88 3k77 s SER 91 Cb -1.41 -0.77 -0.08 0.00 0.21 0.00 0.00 66.02 63.96 3k77 s SER 91 CO 0.71 0.31 0.78 -0.55 0.41 0.00 0.00 173.24 174.90 3k77 s SER 92 N -1.00 7.22 0.00 2.44 0.15 -1.26 -0.96 113.70 120.29 3k77 s SER 92 Ca 0.13 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.35 3k77 s SER 92 Cb -0.11 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3k77 s SER 92 CO 0.02 0.07 0.00 0.49 1.20 0.00 0.00 173.24 175.03 3k77 n PHE 93 N 0.97 0.00 -3.63 3.44 3.72 -0.38 -4.95 117.46 116.63 3k77 n PHE 93 Ca -0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.26 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 -0.44 0.74 0.70 -1.08 1.75 -1.19 -4.79 119.30 114.98 3k77 s MET 94 Ca 0.00 0.98 -0.07 0.00 -1.25 0.00 0.00 55.69 55.35 3k77 s MET 94 Cb 0.00 0.31 0.05 0.00 2.84 0.00 0.00 34.83 38.03 3k77 s MET 94 CO 0.00 -0.11 1.02 -1.54 -0.65 0.00 0.00 175.02 173.74 3k77 s SER 95 N 0.70 4.94 0.17 1.11 1.04 -1.26 -4.72 113.70 115.67 3k77 s SER 95 Ca -0.02 0.55 -0.14 0.00 0.48 0.00 0.00 55.95 56.82 3k77 s SER 95 Cb -0.05 -1.25 0.08 0.00 0.10 0.00 0.00 66.02 64.90 3k77 s SER 95 CO -0.06 -1.53 1.81 -0.65 0.98 0.00 0.00 173.24 173.79 3k77 h PRO 96 N -0.58 0.54 -0.36 4.02 0.11 -1.97 0.28 132.00 134.04 3k77 h PRO 96 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3k77 h PRO 96 Cb 1.31 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3k77 h PRO 96 CO 0.61 0.36 0.19 0.77 -0.21 0.00 0.00 178.00 179.72 3k77 h SER 97 N 0.55 0.46 -0.40 -2.05 0.02 -1.95 0.19 113.55 110.37 3k77 h SER 97 Ca 0.19 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3k77 h SER 97 Cb 0.02 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3k77 h SER 97 CO -0.09 0.43 0.03 -0.33 -1.14 0.00 0.00 176.83 175.73 3k77 h GLU 98 N 0.45 0.68 -0.74 3.45 5.08 -1.83 -1.11 114.58 120.56 3k77 h GLU 98 Ca 0.13 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3k77 h GLU 98 Cb 0.08 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3k77 h GLU 98 CO -0.02 0.75 0.45 0.77 -1.00 0.00 0.00 179.01 179.96 3k77 h SER 99 N 0.52 0.69 -0.51 1.42 0.02 -0.14 1.20 113.55 116.75 3k77 h SER 99 Ca 0.12 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 3k77 h SER 99 Cb 0.43 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3k77 h SER 99 CO 0.01 0.45 -0.15 0.03 -1.14 0.00 0.00 176.83 176.03 3k77 h ARG 100 N 0.83 1.02 0.00 3.45 3.08 -0.44 -3.25 114.38 119.07 3k77 h ARG 100 Ca 0.32 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3k77 h ARG 100 Cb 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3k77 h ARG 100 CO -0.16 1.08 -0.93 -1.13 -1.07 0.00 0.00 179.97 177.76 3k77 n SER 101 N -4.13 0.63 0.00 7.04 3.41 -0.44 -4.98 113.62 115.16 3k77 n SER 101 Ca 0.01 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3k77 n SER 101 Cb 0.43 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 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 0.48 3.76 5.00 0.00 0.40 -5.04 105.19 111.16 3k77 n GLY 102 Ca 0.02 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.85 7.28 -1.13 1.61 0.01 -0.37 -4.31 113.70 113.94 3k77 s SER 103 Ca 0.00 1.52 -0.14 0.00 1.31 0.00 0.00 55.95 58.65 3k77 s SER 103 Cb 0.00 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 3k77 s SER 103 CO 0.00 0.09 0.82 0.59 0.41 0.00 0.00 173.24 175.15 3k77 n ASN 104 N 2.35 -5.21 0.00 2.44 4.13 -1.26 -4.61 115.26 113.10 3k77 n ASN 104 Ca -0.04 -0.90 0.13 0.00 1.68 0.00 0.00 54.58 55.45 3k77 n ASN 104 Cb 0.50 -4.02 0.39 0.00 -1.54 0.00 0.00 39.78 35.11 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 -3.90 0.02 -0.21 3.52 -0.02 -1.26 -4.22 135.00 128.92 3k77 n PRO 105 Ca -0.11 0.01 0.06 0.00 -2.02 0.00 0.00 63.50 61.44 3k77 n PRO 105 Cb 0.61 -1.51 0.17 0.00 -0.02 0.00 0.00 33.50 32.74 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 -1.54 3.05 -4.66 2.55 5.03 -1.26 -1.44 115.26 116.99 3k77 n ASN 106 Ca 0.06 -2.15 -0.51 0.00 0.87 0.00 0.00 54.58 52.85 3k77 n ASN 106 Cb 0.34 -0.27 -0.06 0.00 -1.02 0.00 0.00 39.78 38.77 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 0.36 1.63 -4.20 3.52 0.63 -1.26 -4.27 116.66 113.08 3k77 n ARG 107 Ca 0.13 0.59 -0.34 0.00 -0.92 0.00 0.00 57.85 57.31 3k77 n ARG 107 Cb 0.49 -2.33 -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 2.17 4.45 -0.04 5.15 0.11 -1.26 -1.40 120.40 129.58 3k77 s VAL 108 Ca 0.88 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 59.80 3k77 s VAL 108 Cb -0.85 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 3k77 s VAL 108 CO 0.50 0.51 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.53 3k77 s ARG 109 N 0.03 1.38 -0.12 1.54 0.52 -0.05 -4.98 118.95 117.27 3k77 s ARG 109 Ca 0.04 -0.41 -0.06 0.00 -0.52 0.00 0.00 55.73 54.77 3k77 s ARG 109 Cb -0.13 -1.22 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 3k77 s ARG 109 CO 0.02 0.12 0.09 1.41 0.02 0.00 0.00 175.30 176.96 3k77 s MET 110 N 0.29 3.42 -0.30 3.54 1.75 -1.26 -1.24 119.30 125.50 3k77 s MET 110 Ca -0.06 -0.25 0.01 0.00 -1.25 0.00 0.00 55.69 54.13 3k77 s MET 110 Cb -0.11 -3.09 0.09 0.00 2.84 0.00 0.00 34.83 34.56 3k77 s MET 110 CO 0.02 0.66 0.05 -0.06 -0.65 0.00 0.00 175.02 175.04 3k77 s PHE 111 N -0.72 2.30 0.63 4.11 0.40 0.44 -5.00 117.98 120.15 3k77 s PHE 111 Ca 0.12 -2.00 -0.11 0.00 -0.60 0.00 0.00 56.93 54.35 3k77 s PHE 111 Cb -0.12 -1.95 0.15 0.00 0.51 0.00 0.00 43.02 41.61 3k77 s PHE 111 CO 0.03 -0.86 0.79 0.41 0.70 0.00 0.00 175.22 176.28 3k77 n GLY 112 N 4.68 -1.60 0.30 4.36 0.00 -1.26 -1.01 105.19 110.65 3k77 n GLY 112 Ca -0.03 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 0.00 1.61 0.11 -1.87 -1.63 132.00 130.21 3k77 h PRO 113 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3k77 h PRO 113 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3k77 h PRO 113 CO 0.18 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.35 3k77 h ASP 114 N 0.00 0.00 0.05 -2.05 -0.00 -1.92 -3.25 116.42 109.25 3k77 h ASP 114 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 3k77 h ASP 114 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.58 3k77 h ASP 114 CO -0.00 0.00 -0.72 0.29 -0.00 0.00 0.00 179.24 178.81 3k77 n LYS 115 N -3.09 0.49 -3.35 4.15 5.02 -0.62 -4.91 118.16 115.84 3k77 n LYS 115 Ca 0.04 -0.40 -0.28 0.00 -2.02 0.00 0.00 58.31 55.65 3k77 n LYS 115 Cb 0.50 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 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 -2.78 4.05 0.02 -0.35 1.43 -1.16 -4.72 118.68 115.17 3k77 s LEU 116 Ca 0.13 0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 3k77 s LEU 116 Cb 0.17 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.87 3k77 s LEU 116 CO 0.73 -0.21 1.23 0.68 0.23 0.00 0.00 176.35 179.00 3k77 s VAL 117 N -2.13 4.05 -0.56 -1.59 -7.23 0.27 -4.93 120.40 108.29 3k77 s VAL 117 Ca 0.43 1.44 0.24 0.00 -1.81 0.00 0.00 61.98 62.28 3k77 s VAL 117 Cb -0.11 -3.93 0.26 0.00 0.56 0.00 0.00 36.38 33.17 3k77 s VAL 117 CO 0.31 0.06 1.60 0.03 -0.31 0.00 0.00 175.10 176.79 3k77 h ARG 118 N 7.14 0.00 0.10 4.82 3.08 -1.89 0.27 114.38 127.91 3k77 h ARG 118 Ca -0.39 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 0.85 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 179.70 3k77 h ALA 119 N 2.25 -0.14 -0.34 0.04 0.00 -1.94 -1.79 119.26 117.35 3k77 h ALA 119 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3k77 h ALA 119 Cb 0.87 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3k77 h ALA 119 CO 0.00 -0.45 -0.40 0.00 0.00 0.00 0.00 179.25 178.40 3k77 h ALA 120 N 0.47 0.50 0.00 0.00 0.00 -1.80 -3.14 119.26 115.30 3k77 h ALA 120 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3k77 h ALA 120 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3k77 h ALA 120 CO 0.02 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3k77 n ALA 121 N -2.54 1.48 0.07 0.00 0.00 0.08 -2.31 120.51 117.30 3k77 n ALA 121 Ca -0.03 0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 3k77 n ALA 121 Cb 0.55 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 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 -6.98 0.00 4.57 -1.26 -3.42 114.58 107.53 3k77 h GLU 122 Ca 0.00 -0.07 -0.46 0.00 -1.18 0.00 0.00 59.36 57.65 3k77 h GLU 122 Cb 0.25 0.03 0.07 0.00 -0.16 0.00 0.00 28.75 28.93 3k77 h GLU 122 CO 0.00 1.00 0.04 0.15 -1.18 0.00 0.00 179.01 179.02 3k77 s LYS 123 N -2.79 2.02 -0.03 1.92 1.02 -0.98 -5.04 119.74 115.86 3k77 s LYS 123 Ca -0.00 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.94 3k77 s LYS 123 Cb 0.10 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3k77 s LYS 123 CO 0.83 -1.15 0.01 1.03 -0.92 0.00 0.00 175.35 175.14 3k77 s ARG 124 N -4.97 2.88 0.17 1.68 0.52 -1.26 -4.44 118.95 113.53 3k77 s ARG 124 Ca 0.63 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 55.30 3k77 s ARG 124 Cb -0.07 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.63 3k77 s ARG 124 CO 0.42 0.65 0.09 -1.58 0.02 0.00 0.00 175.30 174.90 3k77 s TRP 125 N -1.02 1.02 0.00 -0.53 0.52 0.19 -4.82 118.94 114.30 3k77 s TRP 125 Ca 0.18 -1.29 0.00 0.00 0.02 0.00 0.00 56.10 55.00 3k77 s TRP 125 Cb -0.11 -0.53 0.00 0.00 -1.15 0.00 0.00 33.47 31.67 3k77 s TRP 125 CO 0.08 -0.56 0.28 -0.40 0.02 0.00 0.00 176.95 176.37 3k77 n ASP 126 N -0.19 0.28 -4.26 2.95 5.75 -1.12 0.37 116.55 120.34 3k77 n ASP 126 Ca -0.02 -1.07 -0.24 0.00 -0.01 0.00 0.00 54.79 53.44 3k77 n ASP 126 Cb 0.65 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.60 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 -0.07 1.25 -0.07 0.11 1.81 -0.66 -0.48 118.95 120.83 3k77 s ARG 127 Ca 0.00 -1.02 -0.03 0.00 -1.72 0.00 0.00 55.73 52.96 3k77 s ARG 127 Cb 0.00 -1.42 0.04 0.00 -0.45 0.00 0.00 34.95 33.12 3k77 s ARG 127 CO 0.00 0.35 0.12 0.08 -0.68 0.00 0.00 175.30 175.17 3k77 s VAL 128 N -0.95 -0.19 -0.21 3.52 1.01 -0.20 -1.80 120.40 121.57 3k77 s VAL 128 Ca 0.07 0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 3k77 s VAL 128 Cb -0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3k77 s VAL 128 CO 0.03 0.14 0.04 -0.75 0.00 0.00 0.00 175.10 174.55 3k77 s LYS 129 N 2.24 3.70 -0.21 2.72 2.20 0.10 -0.01 119.74 130.49 3k77 s LYS 129 Ca 0.04 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 3k77 s LYS 129 Cb -0.12 -3.19 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 3k77 s LYS 129 CO -0.05 -0.00 -0.07 0.42 -0.36 0.00 0.00 175.35 175.29 3k77 s ILE 130 N 1.08 3.20 -0.18 5.43 1.01 -0.17 -0.07 121.20 131.50 3k77 s ILE 130 Ca 0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 3k77 s ILE 130 Cb -0.14 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 3k77 s ILE 130 CO 0.02 0.45 -0.04 -0.69 0.00 0.00 0.00 174.94 174.68 3k77 s VAL 131 N 1.34 3.64 -0.07 2.92 1.01 0.67 -2.12 120.40 127.80 3k77 s VAL 131 Ca 0.04 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3k77 s VAL 131 Cb -0.14 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3k77 s VAL 131 CO -0.04 0.46 -0.16 0.00 0.00 0.00 0.00 175.10 175.37 3k77 s SER 133 N -0.38 2.52 -0.43 0.00 0.01 -0.39 -1.03 113.70 114.00 3k77 s SER 133 Ca 0.04 -0.61 0.05 0.00 1.31 0.00 0.00 55.95 56.73 3k77 s SER 133 Cb -0.12 -0.17 0.17 0.00 0.21 0.00 0.00 66.02 66.11 3k77 s SER 133 CO 0.02 0.11 0.46 -1.58 0.41 0.00 0.00 173.24 172.66 3k77 s GLN 134 N -1.57 0.90 0.15 12.44 2.00 0.05 0.11 119.66 133.74 3k77 s GLN 134 Ca 0.07 -1.53 0.26 0.00 -2.00 0.00 0.00 55.36 52.16 3k77 s GLN 134 Cb -0.09 -0.86 0.65 0.00 0.80 0.00 0.00 33.01 33.51 3k77 s GLN 134 CO 0.03 -1.33 1.59 -0.35 -0.50 0.00 0.00 175.29 174.74 3k77 n PRO 135 N 3.18 0.24 0.01 1.67 -0.05 -1.26 -4.07 135.00 134.72 3k77 n PRO 135 Ca 0.22 0.14 0.11 0.00 -0.05 0.00 0.00 63.50 63.92 3k77 n PRO 135 Cb 0.50 -1.72 0.08 0.00 -0.05 0.00 0.00 33.50 32.31 3k77 n PRO 135 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3k77 n TYR 136 N -2.10 0.09 -3.68 0.54 4.01 -1.26 -4.87 117.16 109.89 3k77 n TYR 136 Ca 0.05 0.03 -0.10 0.00 -0.16 0.00 0.00 57.90 57.72 3k77 n TYR 136 Cb 0.42 -0.25 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 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 -3.32 -0.53 -0.07 7.72 0.15 -1.26 -4.34 113.70 112.04 3k77 s SER 137 Ca 0.08 0.97 0.13 0.00 0.70 0.00 0.00 55.95 57.83 3k77 s SER 137 Cb 0.16 0.92 0.41 0.00 -1.71 0.00 0.00 66.02 65.80 3k77 s SER 137 CO 0.78 -0.20 1.34 0.29 1.20 0.00 0.00 173.24 176.64 3k77 n LYS 138 N 4.42 2.94 0.15 5.44 5.02 -1.26 -4.65 118.16 130.21 3k77 n LYS 138 Ca -0.21 -2.39 0.02 0.00 -2.02 0.00 0.00 58.31 53.71 3k77 n LYS 138 Cb 0.55 -1.52 0.15 0.00 -0.02 0.00 0.00 35.03 34.19 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 2.03 0.00 -5.17 4.39 3.32 -1.95 -3.11 116.42 115.94 3k77 h ASP 139 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3k77 h ASP 139 Cb 1.04 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.42 3k77 h ASP 139 CO 0.10 0.54 -0.67 -0.44 -1.72 0.00 0.00 179.24 177.05 3k77 s SER 140 N -6.53 0.40 0.58 6.45 0.01 -1.26 -4.91 113.70 108.44 3k77 s SER 140 Ca 0.01 -0.84 -0.19 0.00 1.31 0.00 0.00 55.95 56.24 3k77 s SER 140 Cb 0.10 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 3k77 s SER 140 CO 0.73 -0.53 1.22 -2.84 0.41 0.00 0.00 173.24 172.23 3k77 s PRO 141 N -3.24 3.06 0.16 12.44 0.02 -1.26 -4.01 135.00 142.16 3k77 s PRO 141 Ca 0.01 1.85 -0.04 0.00 0.02 0.00 0.00 61.00 62.84 3k77 s PRO 141 Cb 0.03 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 3k77 s PRO 141 CO -0.08 -1.15 0.16 -0.59 -0.33 0.00 0.00 177.00 175.02 3k77 s PHE 142 N -1.57 0.77 -0.08 6.54 -0.12 -1.26 -4.89 117.98 117.37 3k77 s PHE 142 Ca 0.76 -1.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 3k77 s PHE 142 Cb -0.31 -0.34 0.00 0.00 -0.63 0.00 0.00 43.02 41.74 3k77 s PHE 142 CO 0.34 -0.63 0.00 0.41 -0.05 0.00 0.00 175.22 175.29 3k77 n GLY 143 N -0.18 -0.94 3.38 1.99 0.00 -0.16 -1.60 105.19 107.67 3k77 n GLY 143 Ca -0.04 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 2.42 -0.13 0.99 1.43 -0.54 -2.21 118.68 120.65 3k77 s LEU 144 Ca 0.00 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.10 3k77 s LEU 144 Cb 0.00 -1.01 -0.25 0.00 0.03 0.00 0.00 46.19 44.95 3k77 s LEU 144 CO 0.00 0.06 0.44 -1.28 0.23 0.00 0.00 176.35 175.80 3k77 h SER 145 N 3.29 0.30 -5.03 2.29 0.87 0.72 -1.18 113.55 114.80 3k77 h SER 145 Ca -0.45 -0.80 0.01 0.00 -1.23 0.00 0.00 61.79 59.32 3k77 h SER 145 Cb 1.21 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 3k77 h SER 145 CO 0.48 1.63 0.21 0.72 -0.53 0.00 0.00 176.83 179.35 3k77 s PHE 146 N -2.46 0.03 -0.16 2.24 -0.12 -1.11 -4.20 117.98 112.19 3k77 s PHE 146 Ca -0.22 -0.58 -0.10 0.00 -0.05 0.00 0.00 56.93 55.98 3k77 s PHE 146 Cb 0.05 0.71 0.05 0.00 -0.63 0.00 0.00 43.02 43.20 3k77 s PHE 146 CO 0.73 -1.37 0.39 0.54 -0.05 0.00 0.00 175.22 175.46 3k77 s VAL 147 N -3.16 -0.02 -0.11 -2.49 0.11 -1.26 -1.42 120.40 112.05 3k77 s VAL 147 Ca 0.14 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 3k77 s VAL 147 Cb -0.05 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 3k77 s VAL 147 CO 0.10 0.03 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.63 3k77 s ARG 148 N 1.00 2.09 -0.02 1.54 0.52 -0.26 -4.59 118.95 119.23 3k77 s ARG 148 Ca -0.06 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 54.64 3k77 s ARG 148 Cb -0.07 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 3k77 s ARG 148 CO -0.08 -0.13 0.07 -0.06 0.02 0.00 0.00 175.30 175.12 3k77 s PHE 149 N 1.18 3.28 -0.01 -0.53 0.08 -1.26 -0.70 117.98 120.01 3k77 s PHE 149 Ca -0.03 0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.27 3k77 s PHE 149 Cb -0.14 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 3k77 s PHE 149 CO -0.04 0.55 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.51 3k77 s HIS 150 N -1.15 0.95 0.59 0.36 3.76 -0.88 -0.38 115.29 118.54 3k77 s HIS 150 Ca 0.21 -0.19 -0.06 0.00 -0.15 0.00 0.00 55.06 54.87 3k77 s HIS 150 Cb -0.12 -0.63 0.01 0.00 1.11 0.00 0.00 32.58 32.95 3k77 s HIS 150 CO 0.12 -0.04 0.91 -1.54 -0.85 0.00 0.00 174.74 173.34 3k77 s SER 151 N -0.15 5.60 0.57 1.40 1.04 0.75 0.35 113.70 123.26 3k77 s SER 151 Ca 0.02 0.74 -0.21 0.00 0.48 0.00 0.00 55.95 56.99 3k77 s SER 151 Cb -0.05 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.29 3k77 s SER 151 CO -0.00 -1.07 1.31 -2.65 0.98 0.00 0.00 173.24 171.81 3k77 n PRO 152 N -2.60 1.52 0.00 4.02 -0.02 -1.25 -2.95 135.00 133.72 3k77 n PRO 152 Ca 0.05 0.57 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 3k77 n PRO 152 Cb 0.57 -2.52 0.91 0.00 -0.02 0.00 0.00 33.50 32.44 3k77 n PRO 152 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18