#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 4.17 0.15 -0.52 2.12 -1.26 -0.38 118.70 122.98 3k77 s GLU 3 Ca 0.00 2.48 -0.30 0.00 0.36 0.00 0.00 54.97 57.51 3k77 s GLU 3 Cb 0.00 -3.11 -0.07 0.00 0.26 0.00 0.00 34.13 31.21 3k77 s GLU 3 CO 0.00 -0.67 1.03 0.42 -0.54 0.00 0.00 175.26 175.50 3k77 s ILE 4 N 1.05 4.17 -0.01 -3.70 1.01 0.37 -4.83 121.20 119.25 3k77 s ILE 4 Ca 0.71 1.86 -0.19 0.00 0.00 0.00 0.00 60.65 63.04 3k77 s ILE 4 Cb -0.47 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 37.76 3k77 s ILE 4 CO 0.33 0.31 0.53 -0.13 0.00 0.00 0.00 174.94 175.98 3k77 s ARG 5 N -0.27 4.22 -0.18 2.79 0.52 -1.26 -4.68 118.95 120.09 3k77 s ARG 5 Ca 0.48 0.61 -0.06 0.00 -0.52 0.00 0.00 55.73 56.24 3k77 s ARG 5 Cb -0.26 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 3k77 s ARG 5 CO 0.32 0.44 0.02 -0.51 0.02 0.00 0.00 175.30 175.59 3k77 s LEU 6 N -0.36 3.49 -0.11 2.53 1.43 -1.26 -2.03 118.68 122.37 3k77 s LEU 6 Ca 0.28 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 3k77 s LEU 6 Cb -0.17 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3k77 s LEU 6 CO 0.15 0.14 0.05 -0.09 0.23 0.00 0.00 176.35 176.83 3k77 h ARG 7 N 6.97 0.00 -3.40 1.70 2.43 0.33 -3.45 114.38 118.96 3k77 h ARG 7 Ca -0.35 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 3k77 h ARG 7 Cb 1.18 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 3k77 h ARG 7 CO 0.65 0.09 0.04 -3.38 -1.51 0.00 0.00 179.97 175.85 3k77 s HIS 8 N -1.67 0.22 -0.28 2.20 -3.43 -1.15 -5.00 115.29 106.17 3k77 s HIS 8 Ca -0.03 -0.64 -0.20 0.00 -0.80 0.00 0.00 55.06 53.39 3k77 s HIS 8 Cb -0.00 0.42 -0.01 0.00 -1.43 0.00 0.00 32.58 31.55 3k77 s HIS 8 CO 0.08 -1.16 0.63 0.08 -2.00 0.00 0.00 174.74 172.36 3k77 s VAL 9 N -3.68 4.96 0.05 -5.38 1.01 -1.26 -0.31 120.40 115.78 3k77 s VAL 9 Ca 0.19 0.96 -0.14 0.00 0.00 0.00 0.00 61.98 62.98 3k77 s VAL 9 Cb -0.03 -3.97 -0.31 0.00 0.00 0.00 0.00 36.38 32.07 3k77 s VAL 9 CO 0.10 -0.07 1.07 0.58 0.00 0.00 0.00 175.10 176.78 3k77 h VAL 10 N 5.49 1.30 -3.09 2.92 2.07 -0.34 -3.48 116.25 121.12 3k77 h VAL 10 Ca -0.27 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 64.64 3k77 h VAL 10 Cb 1.12 2.84 -0.11 0.00 -1.52 0.00 0.00 31.29 33.61 3k77 h VAL 10 CO 0.79 0.78 0.15 -0.94 0.02 0.00 0.00 177.57 178.37 3k77 s SER 11 N -7.46 -0.46 -0.22 0.57 1.04 -1.17 -4.96 113.70 101.03 3k77 s SER 11 Ca -0.09 -0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.10 3k77 s SER 11 Cb 0.05 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.84 3k77 s SER 11 CO 0.93 -0.99 0.50 0.00 0.98 0.00 0.00 173.24 174.67 3k77 h SER 13 N 7.48 0.00 -2.76 0.00 4.64 -0.77 -3.46 113.55 118.68 3k77 h SER 13 Ca -0.28 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.15 3k77 h SER 13 Cb 1.16 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.98 3k77 h SER 13 CO 0.20 0.36 0.50 -0.55 -0.87 0.00 0.00 176.83 176.47 3k77 s SER 14 N -6.38 -0.40 0.06 4.97 0.15 -1.26 -4.89 113.70 105.95 3k77 s SER 14 Ca 0.01 0.71 -0.20 0.00 0.70 0.00 0.00 55.95 57.17 3k77 s SER 14 Cb 0.10 0.90 0.04 0.00 -1.71 0.00 0.00 66.02 65.35 3k77 s SER 14 CO 0.69 -0.12 0.46 0.00 1.20 0.00 0.00 173.24 175.47 3k77 s GLN 15 N 0.63 0.99 0.52 5.44 -2.07 -1.26 -4.48 119.66 119.44 3k77 s GLN 15 Ca -0.01 -0.35 -0.05 0.00 -1.82 0.00 0.00 55.36 53.13 3k77 s GLN 15 Cb -0.04 0.45 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 3k77 s GLN 15 CO -0.11 -0.36 0.83 0.34 -1.32 0.00 0.00 175.29 174.67 3k77 s ASP 16 N -2.09 5.99 0.21 12.60 -1.08 -0.00 -3.46 116.67 128.85 3k77 s ASP 16 Ca -0.04 0.82 0.02 0.00 -0.52 0.00 0.00 52.55 52.83 3k77 s ASP 16 Cb -0.00 -2.01 0.17 0.00 -1.46 0.00 0.00 42.92 39.61 3k77 s ASP 16 CO -0.03 -0.77 1.52 0.77 0.52 0.00 0.00 175.17 177.17 3k77 h SER 17 N 0.08 0.37 0.00 -0.34 4.64 -1.93 -3.16 113.55 113.21 3k77 h SER 17 Ca -0.46 -0.22 -0.30 0.00 -0.47 0.00 0.00 61.79 60.34 3k77 h SER 17 Cb 1.23 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 3k77 h SER 17 CO 0.61 0.91 -1.71 0.35 -0.87 0.00 0.00 176.83 176.12 3k77 n THR 18 N -3.87 1.52 -2.68 2.95 -2.24 -1.26 -4.62 114.28 104.08 3k77 n THR 18 Ca -0.03 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 3k77 n THR 18 Cb 0.64 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 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 -4.38 3.98 -3.44 4.78 8.25 -1.25 -4.89 115.22 118.26 3k77 n HIS 19 Ca -0.38 -3.09 -0.21 0.00 -0.26 0.00 0.00 57.72 53.77 3k77 n HIS 19 Cb 0.73 -2.04 -0.01 0.00 1.12 0.00 0.00 29.99 29.79 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 0.81 1.10 -0.64 0.00 0.00 -1.86 -1.73 119.26 116.93 3k77 h ALA 21 Ca -0.48 0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.60 3k77 h ALA 21 Cb 1.24 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 3k77 h ALA 21 CO 0.57 0.12 -0.08 -1.91 0.00 0.00 0.00 179.25 177.96 3k77 n GLU 22 N -4.73 -0.05 0.10 0.00 2.13 -1.26 -0.95 120.64 115.88 3k77 n GLU 22 Ca 0.12 0.99 0.05 0.00 0.66 0.00 0.00 57.16 58.97 3k77 n GLU 22 Cb 0.23 -1.52 0.25 0.00 0.27 0.00 0.00 31.44 30.67 3k77 n GLU 22 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3k77 n ASN 23 N -4.95 0.24 0.00 4.31 3.02 -0.65 -0.94 115.26 116.29 3k77 n ASN 23 Ca 0.13 0.50 0.12 0.00 -0.03 0.00 0.00 54.58 55.29 3k77 n ASN 23 Cb 0.41 -0.48 0.18 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.81 0.59 0.18 3.41 4.77 -0.13 -4.18 117.00 119.82 3k77 n LEU 24 Ca -0.01 -0.06 0.03 0.00 -0.03 0.00 0.00 56.01 55.94 3k77 n LEU 24 Cb 0.24 -0.20 0.40 0.00 -2.33 0.00 0.00 43.42 41.53 3k77 n LEU 24 CO 0.04 0.13 0.81 -0.07 -1.33 0.00 0.00 177.39 176.98 3k77 h LEU 25 N 0.00 0.07 -7.77 2.23 3.38 -1.21 -3.41 115.31 108.60 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 0.52 -0.02 -0.34 0.00 0.09 0.00 0.00 40.66 40.91 3k77 h LEU 25 CO 0.00 0.33 -0.78 -0.54 0.09 0.00 0.00 178.44 177.53 3k77 s LYS 26 N -4.46 1.06 0.53 1.13 1.02 -1.26 -4.23 119.74 113.53 3k77 s LYS 26 Ca -0.04 -0.17 0.31 0.00 0.02 0.00 0.00 55.97 56.09 3k77 s LYS 26 Cb 0.15 -1.04 1.37 0.00 -0.52 0.00 0.00 37.83 37.79 3k77 s LYS 26 CO 0.72 -0.09 2.00 0.00 -0.92 0.00 0.00 175.35 177.05 3k77 h ALA 27 N 7.32 1.06 -0.60 5.17 0.00 -1.81 -3.16 119.26 127.24 3k77 h ALA 27 Ca -0.34 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.67 3k77 h ALA 27 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3k77 h ALA 27 CO 0.45 0.10 0.49 -0.44 0.00 0.00 0.00 179.25 179.85 3k77 h ASP 28 N 0.00 0.00 0.78 0.00 3.32 -1.95 -3.22 116.42 115.36 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 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3k77 h ASP 28 CO 0.01 0.00 -0.63 0.74 -1.72 0.00 0.00 179.24 177.65 3k77 h THR 29 N 0.00 1.34 -1.12 0.35 2.02 -1.88 -3.46 112.91 110.16 3k77 h THR 29 Ca 0.28 -2.22 -0.31 0.00 0.77 0.00 0.00 66.41 64.93 3k77 h THR 29 Cb 1.26 2.23 -0.09 0.00 -1.74 0.00 0.00 68.15 69.81 3k77 h THR 29 CO -0.00 0.61 -0.31 -1.22 0.37 0.00 0.00 175.52 174.97 3k77 n TYR 30 N -3.64 -0.20 -4.12 3.16 0.53 -1.22 -5.00 117.16 106.68 3k77 n TYR 30 Ca -0.01 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.55 3k77 n TYR 30 Cb 0.66 -2.82 -0.07 0.00 -1.03 0.00 0.00 39.34 36.08 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 -3.69 3.03 0.25 -0.72 0.52 -1.26 -5.12 118.95 111.96 3k77 s ARG 31 Ca 0.00 -0.50 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 3k77 s ARG 31 Cb 0.00 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 3k77 s ARG 31 CO 0.00 0.64 0.18 0.15 0.02 0.00 0.00 175.30 176.30 3k77 s LYS 32 N -1.73 2.88 -0.17 3.54 1.02 -1.26 -4.67 119.74 119.36 3k77 s LYS 32 Ca 0.23 -1.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.11 3k77 s LYS 32 Cb -0.12 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 3k77 s LYS 32 CO 0.14 0.40 -0.05 -0.46 -0.92 0.00 0.00 175.35 174.45 3k77 s TRP 33 N -2.15 2.96 0.09 3.18 -0.00 -0.36 -3.35 118.94 119.32 3k77 s TRP 33 Ca 0.33 -0.53 0.01 0.00 -0.00 0.00 0.00 56.10 55.91 3k77 s TRP 33 Cb -0.08 -1.98 -0.04 0.00 -0.00 0.00 0.00 33.47 31.37 3k77 s TRP 33 CO 0.25 -0.21 -0.05 1.03 -0.00 0.00 0.00 176.95 177.97 3k77 s ARG 34 N 0.67 0.78 0.57 5.86 0.52 -0.10 -1.40 118.95 125.85 3k77 s ARG 34 Ca -0.03 -1.31 -0.19 0.00 -0.52 0.00 0.00 55.73 53.68 3k77 s ARG 34 Cb -0.15 -0.06 -0.05 0.00 0.52 0.00 0.00 34.95 35.21 3k77 s ARG 34 CO 0.02 -0.06 1.15 0.00 0.02 0.00 0.00 175.30 176.43 3k77 s ALA 35 N -3.73 2.64 0.46 2.13 0.00 -0.72 -0.82 121.76 121.71 3k77 s ALA 35 Ca 0.11 0.84 0.14 0.00 0.00 0.00 0.00 51.96 53.06 3k77 s ALA 35 Cb 0.06 -3.38 1.05 0.00 0.00 0.00 0.00 23.12 20.86 3k77 s ALA 35 CO -0.06 -0.91 2.03 0.00 0.00 0.00 0.00 175.76 176.82 3k77 h ALA 36 N 1.02 1.76 -2.64 0.00 0.00 -1.78 -3.36 119.26 114.27 3k77 h ALA 36 Ca -0.50 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.15 3k77 h ALA 36 Cb 1.27 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.85 3k77 h ALA 36 CO 0.56 0.18 -0.62 0.15 0.00 0.00 0.00 179.25 179.52 3k77 s LYS 37 N -4.77 0.50 0.53 0.00 -0.14 -1.26 -4.85 119.74 109.76 3k77 s LYS 37 Ca -0.04 -0.81 -0.19 0.00 -1.36 0.00 0.00 55.97 53.56 3k77 s LYS 37 Cb 0.16 0.19 -0.06 0.00 -1.68 0.00 0.00 37.83 36.43 3k77 s LYS 37 CO 0.69 -0.11 1.09 0.00 -0.76 0.00 0.00 175.35 176.27 3k77 s ALA 38 N -2.53 2.75 0.00 5.17 0.00 -1.26 -4.03 121.76 121.86 3k77 s ALA 38 Ca -0.06 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3k77 s ALA 38 Cb -0.02 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3k77 s ALA 38 CO -0.05 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3k77 n GLY 39 N -0.08 0.76 3.64 0.00 0.00 -1.16 -4.92 105.19 103.42 3k77 n GLY 39 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.38 4.06 0.46 1.61 2.02 -1.26 -4.93 118.70 120.29 3k77 s GLU 40 Ca 0.00 1.03 0.15 0.00 0.02 0.00 0.00 54.97 56.17 3k77 s GLU 40 Cb 0.00 -3.73 1.06 0.00 0.10 0.00 0.00 34.13 31.56 3k77 s GLU 40 CO 0.00 -0.87 2.02 0.87 0.02 0.00 0.00 175.26 177.30 3k77 h LYS 41 N 8.07 0.00 -2.61 1.61 1.57 -1.95 -3.43 116.57 119.83 3k77 h LYS 41 Ca -0.21 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 3k77 h LYS 41 Cb 1.06 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.14 3k77 h LYS 41 CO 1.01 0.16 -0.16 -0.08 -0.57 0.00 0.00 179.45 179.81 3k77 s THR 42 N -4.67 0.00 0.14 -0.16 -1.32 -1.26 -0.96 115.64 107.41 3k77 s THR 42 Ca -0.04 -0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.41 3k77 s THR 42 Cb 0.16 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.44 3k77 s THR 42 CO 0.69 -0.02 -0.01 0.27 -2.21 0.00 0.00 174.62 173.34 3k77 s ILE 43 N 0.06 0.56 -0.01 5.08 -4.36 -0.06 -4.99 121.20 117.47 3k77 s ILE 43 Ca -0.02 -1.95 -0.18 0.00 -0.26 0.00 0.00 60.65 58.25 3k77 s ILE 43 Cb -0.03 -1.98 0.03 0.00 1.25 0.00 0.00 42.46 41.73 3k77 s ILE 43 CO 0.01 -0.59 0.37 -0.55 0.24 0.00 0.00 174.94 174.43 3k77 s SER 44 N -3.11 -0.27 -0.05 4.36 0.15 -1.26 -1.19 113.70 112.33 3k77 s SER 44 Ca 0.20 0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.95 3k77 s SER 44 Cb 0.06 0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 3k77 s SER 44 CO 0.01 -0.50 0.17 0.68 1.20 0.00 0.00 173.24 174.80 3k77 s VAL 45 N -1.48 0.02 -0.20 4.45 -7.23 -0.92 0.05 120.40 115.09 3k77 s VAL 45 Ca -0.12 -0.13 -0.04 0.00 -1.81 0.00 0.00 61.98 59.88 3k77 s VAL 45 Cb -0.04 -0.29 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 3k77 s VAL 45 CO 0.04 -0.07 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.03 3k77 s VAL 46 N -0.20 3.60 -0.10 1.32 1.01 -0.16 -1.12 120.40 124.75 3k77 s VAL 46 Ca -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3k77 s VAL 46 Cb -0.02 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3k77 s VAL 46 CO 0.01 0.44 -0.00 -0.76 0.00 0.00 0.00 175.10 174.78 3k77 s LEU 47 N 1.06 3.53 -0.21 3.92 1.43 1.00 0.45 118.68 129.85 3k77 s LEU 47 Ca 0.01 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 3k77 s LEU 47 Cb -0.15 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3k77 s LEU 47 CO 0.00 0.34 0.38 -1.58 0.23 0.00 0.00 176.35 175.73 3k77 s GLN 48 N -0.65 4.16 0.56 1.70 2.00 0.57 -0.93 119.66 127.06 3k77 s GLN 48 Ca 0.10 0.16 -0.16 0.00 -2.00 0.00 0.00 55.36 53.46 3k77 s GLN 48 Cb -0.12 -3.55 -0.05 0.00 0.80 0.00 0.00 33.01 30.09 3k77 s GLN 48 CO 0.02 -0.05 1.03 -0.51 -0.50 0.00 0.00 175.29 175.28 3k77 s LEU 49 N 1.35 3.55 0.25 3.68 1.43 0.57 0.93 118.68 130.45 3k77 s LEU 49 Ca 0.18 1.73 -0.02 0.00 -1.03 0.00 0.00 54.13 54.99 3k77 s LEU 49 Cb -0.15 -4.52 0.30 0.00 0.03 0.00 0.00 46.19 41.84 3k77 s LEU 49 CO 0.08 -0.94 1.71 -0.33 0.23 0.00 0.00 176.35 177.10 3k77 h GLU 50 N 0.64 0.74 -4.39 1.70 5.08 -1.72 -3.41 114.58 113.22 3k77 h GLU 50 Ca -0.47 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 57.48 3k77 h GLU 50 Cb 1.21 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.24 3k77 h GLU 50 CO 0.59 0.83 -0.66 -1.59 -1.00 0.00 0.00 179.01 177.17 3k77 s LYS 51 N -4.79 0.81 0.18 2.33 -2.85 -1.26 -5.01 119.74 109.15 3k77 s LYS 51 Ca -0.09 -1.35 -0.30 0.00 -1.00 0.00 0.00 55.97 53.22 3k77 s LYS 51 Cb 0.14 0.17 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 3k77 s LYS 51 CO 0.82 -0.18 1.37 -2.00 0.10 0.00 0.00 175.35 175.46 3k77 s GLU 52 N -3.98 4.34 0.09 1.78 2.12 -1.26 -4.69 118.70 117.10 3k77 s GLU 52 Ca 0.17 2.12 -0.14 0.00 0.36 0.00 0.00 54.97 57.48 3k77 s GLU 52 Cb 0.07 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.29 3k77 s GLU 52 CO -0.03 -0.36 0.32 -1.21 -0.54 0.00 0.00 175.26 173.44 3k77 s GLU 53 N 0.27 0.92 -0.12 4.30 2.02 1.00 -4.85 118.70 122.24 3k77 s GLU 53 Ca 0.60 -0.69 -0.18 0.00 0.02 0.00 0.00 54.97 54.72 3k77 s GLU 53 Cb -0.38 0.40 -0.04 0.00 0.10 0.00 0.00 34.13 34.21 3k77 s GLU 53 CO 0.36 -0.32 0.49 -1.14 0.02 0.00 0.00 175.26 174.67 3k77 s GLN 54 N -3.35 4.33 -0.22 1.61 0.74 -1.26 -0.68 119.66 120.84 3k77 s GLN 54 Ca 0.00 0.47 -0.17 0.00 0.05 0.00 0.00 55.36 55.72 3k77 s GLN 54 Cb 0.02 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 3k77 s GLN 54 CO -0.08 0.12 0.44 0.42 -0.55 0.00 0.00 175.29 175.64 3k77 s ILE 55 N 0.73 5.16 -0.20 -2.34 1.01 -1.26 -3.79 121.20 120.51 3k77 s ILE 55 Ca 0.26 0.77 -0.02 0.00 0.00 0.00 0.00 60.65 61.66 3k77 s ILE 55 Cb -0.15 -3.76 -0.21 0.00 0.01 0.00 0.00 42.46 38.35 3k77 s ILE 55 CO 0.11 0.20 0.02 1.57 0.00 0.00 0.00 174.94 176.84 3k77 n HIS 56 N 4.78 0.53 -3.80 3.97 -0.00 0.26 -4.88 115.22 116.09 3k77 n HIS 56 Ca -0.07 0.12 -0.10 0.00 -0.00 0.00 0.00 57.72 57.66 3k77 n HIS 56 Cb 0.51 -1.07 -0.07 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 -6.76 -0.01 -0.06 0.26 0.15 -1.10 -2.51 113.70 103.68 3k77 s SER 57 Ca -0.30 -0.41 -0.03 0.00 0.70 0.00 0.00 55.95 55.92 3k77 s SER 57 Cb 0.08 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 3k77 s SER 57 CO 0.67 -0.66 0.10 -0.69 1.20 0.00 0.00 173.24 173.86 3k77 s VAL 58 N -3.12 -0.17 -0.16 4.45 1.01 -0.25 -1.88 120.40 120.28 3k77 s VAL 58 Ca -0.01 0.39 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 3k77 s VAL 58 Cb 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3k77 s VAL 58 CO -0.07 0.17 0.11 -1.81 0.00 0.00 0.00 175.10 173.49 3k77 s ASP 59 N 2.19 6.05 -0.13 3.32 1.01 0.35 -0.02 116.67 129.44 3k77 s ASP 59 Ca 0.04 0.27 0.02 0.00 0.71 0.00 0.00 52.55 53.58 3k77 s ASP 59 Cb -0.12 -2.00 0.02 0.00 1.01 0.00 0.00 42.92 41.83 3k77 s ASP 59 CO -0.04 0.28 -0.17 -0.63 0.21 0.00 0.00 175.17 174.81 3k77 s ILE 60 N -0.23 1.71 -0.41 0.77 -1.09 -0.18 -1.33 121.20 120.43 3k77 s ILE 60 Ca 0.10 -0.75 -0.12 0.00 -2.23 0.00 0.00 60.65 57.64 3k77 s ILE 60 Cb -0.12 -1.55 0.05 0.00 -1.58 0.00 0.00 42.46 39.26 3k77 s ILE 60 CO 0.01 0.48 0.28 -0.83 -1.23 0.00 0.00 174.94 173.65 3k77 s GLY 61 N 1.08 1.98 1.02 6.18 0.00 -0.53 -0.83 107.32 116.21 3k77 s GLY 61 Ca -0.03 -1.88 -0.12 0.00 0.00 0.00 0.00 44.72 42.68 3k77 s GLY 61 CO -0.05 0.93 1.09 0.21 0.00 0.00 0.00 173.10 175.28 3k77 s ASN 62 N 1.90 2.41 -0.42 1.64 2.47 -0.46 0.93 114.94 123.42 3k77 s ASN 62 Ca 0.03 1.23 0.06 0.00 0.42 0.00 0.00 52.86 54.60 3k77 s ASN 62 Cb -0.21 -1.91 0.32 0.00 -1.45 0.00 0.00 41.25 38.00 3k77 s ASN 62 CO 0.07 -3.27 1.21 -0.67 -3.72 0.00 0.00 177.10 170.71 3k77 n ASP 63 N -4.27 -2.01 0.00 -4.21 2.03 -0.80 -3.35 116.55 103.94 3k77 n ASP 63 Ca 0.05 -3.10 0.00 0.00 0.52 0.00 0.00 54.79 52.26 3k77 n ASP 63 Cb 0.57 1.64 0.00 0.00 -0.72 0.00 0.00 41.12 42.61 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 0.27 0.39 3.82 0.27 0.00 -0.66 -1.12 105.19 108.16 3k77 n GLY 64 Ca 0.01 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 -2.07 6.97 -0.12 1.61 0.01 -1.25 -4.74 113.70 114.11 3k77 s SER 65 Ca 0.00 1.68 0.06 0.00 1.31 0.00 0.00 55.95 59.00 3k77 s SER 65 Cb 0.00 -2.54 -0.24 0.00 0.21 0.00 0.00 66.02 63.46 3k77 s SER 65 CO 0.00 -0.32 0.37 0.00 0.41 0.00 0.00 173.24 173.69 3k77 n ALA 66 N -0.51 1.30 -2.79 1.44 0.00 0.59 -4.17 120.51 116.37 3k77 n ALA 66 Ca 0.06 -0.84 -0.15 0.00 0.00 0.00 0.00 53.44 52.51 3k77 n ALA 66 Cb 0.54 -0.60 -0.13 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.56 0.71 -0.02 0.00 0.08 -0.95 -1.27 117.98 113.96 3k77 s PHE 67 Ca -0.15 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.57 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 0.78 -0.04 -0.04 0.08 -0.10 0.00 0.00 175.22 175.90 3k77 s VAL 68 N -0.89 0.43 0.02 -0.44 1.01 -0.34 -1.08 120.40 119.11 3k77 s VAL 68 Ca -0.04 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.87 3k77 s VAL 68 Cb -0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 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 0.50 1.39 -0.11 2.72 2.12 0.55 -0.86 118.70 125.00 3k77 s GLU 69 Ca -0.06 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.50 3k77 s GLU 69 Cb -0.09 -1.41 0.01 0.00 0.26 0.00 0.00 34.13 32.90 3k77 s GLU 69 CO -0.00 0.37 -0.17 0.08 -0.54 0.00 0.00 175.26 175.00 3k77 s VAL 70 N -0.64 1.63 0.23 3.70 1.01 -0.80 -0.24 120.40 125.29 3k77 s VAL 70 Ca 0.07 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.43 3k77 s VAL 70 Cb -0.08 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3k77 s VAL 70 CO 0.01 0.47 -0.22 -0.76 0.00 0.00 0.00 175.10 174.59 3k77 s LEU 71 N 0.84 2.50 0.02 3.92 1.02 0.13 -0.79 118.68 126.32 3k77 s LEU 71 Ca -0.09 -0.93 0.07 0.00 0.02 0.00 0.00 54.13 53.19 3k77 s LEU 71 Cb -0.15 -1.12 -0.02 0.00 0.02 0.00 0.00 46.19 44.91 3k77 s LEU 71 CO 0.00 0.08 -0.20 0.68 0.02 0.00 0.00 176.35 176.93 3k77 s VAL 72 N -2.04 1.63 0.30 -1.59 -7.23 0.18 -0.20 120.40 111.45 3k77 s VAL 72 Ca 0.24 -1.07 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 3k77 s VAL 72 Cb -0.07 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.49 3k77 s VAL 72 CO 0.12 0.30 0.44 0.61 -0.31 0.00 0.00 175.10 176.26 3k77 n GLY 73 N 2.13 2.10 3.27 2.32 0.00 -0.78 -0.56 105.19 113.66 3k77 n GLY 73 Ca -0.16 -1.52 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.78 2.54 0.28 1.61 0.15 -1.26 -1.63 113.70 112.61 3k77 s SER 74 Ca 0.22 -0.58 0.25 0.00 0.70 0.00 0.00 55.95 56.54 3k77 s SER 74 Cb -0.01 -0.19 0.62 0.00 -1.71 0.00 0.00 66.02 64.73 3k77 s SER 74 CO 0.16 0.13 1.69 0.77 1.20 0.00 0.00 173.24 177.19 3k77 h SER 75 N 4.60 0.00 -3.27 5.45 4.64 -1.88 -3.38 113.55 119.71 3k77 h SER 75 Ca -0.44 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 3k77 h SER 75 Cb 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3k77 h SER 75 CO 0.42 0.00 0.55 0.00 -0.87 0.00 0.00 176.83 176.94 3k77 s ALA 76 N -3.14 3.39 -1.23 5.18 0.00 -1.26 -2.80 121.76 121.91 3k77 s ALA 76 Ca 0.09 0.85 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 3k77 s ALA 76 Cb 0.10 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3k77 s ALA 76 CO 0.63 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.40 3k77 n GLY 77 N 2.96 -0.22 5.57 0.00 0.00 -1.26 -4.74 105.19 107.50 3k77 n GLY 77 Ca 0.08 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.01 -1.44 2.83 -0.02 0.00 -1.12 -4.87 105.19 99.56 3k77 n GLY 78 Ca -0.17 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.75 -0.62 0.69 4.61 0.00 -1.26 -4.57 121.76 118.86 3k77 s ALA 79 Ca 0.00 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.53 3k77 s ALA 79 Cb 0.00 -1.45 0.12 0.00 0.00 0.00 0.00 23.12 21.79 3k77 s ALA 79 CO 0.00 -1.20 0.95 0.20 0.00 0.00 0.00 175.76 175.71 3k77 s GLY 80 N 2.42 1.76 0.08 0.00 0.00 -1.26 -4.95 107.32 105.37 3k77 s GLY 80 Ca 0.09 -1.82 -0.29 0.00 0.00 0.00 0.00 44.72 42.70 3k77 s GLY 80 CO -0.13 -1.27 1.66 0.83 0.00 0.00 0.00 173.10 174.19 3k77 h GLU 81 N -0.38 -0.55 -0.55 2.90 4.39 -2.01 -1.95 114.58 116.43 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 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 3k77 h GLU 81 CO 0.40 -0.37 0.00 1.04 -1.16 0.00 0.00 179.01 178.92 3k77 n GLN 82 N -5.35 0.77 -0.06 2.33 1.13 -1.26 -3.38 117.38 111.58 3k77 n GLN 82 Ca -0.11 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.94 3k77 n GLN 82 Cb 0.25 -1.28 -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 -0.06 0.72 -4.69 1.08 4.64 -0.73 -4.93 116.55 112.57 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 0.14 1.29 -0.03 0.00 -1.04 0.00 0.00 41.12 41.48 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 -2.76 3.54 0.35 -0.67 1.51 -1.22 -4.76 117.35 113.34 3k77 s TYR 84 Ca -0.08 1.57 -0.19 0.00 -1.01 0.00 0.00 57.07 57.36 3k77 s TYR 84 Cb 0.08 -3.13 -0.10 0.00 -0.11 0.00 0.00 41.96 38.70 3k77 s TYR 84 CO 0.74 -0.16 0.83 -2.00 -1.11 0.00 0.00 175.55 173.85 3k77 s GLU 85 N 1.72 4.17 -0.07 -0.62 2.56 0.27 -4.84 118.70 121.89 3k77 s GLU 85 Ca 0.48 0.91 -0.27 0.00 0.00 0.00 0.00 54.97 56.08 3k77 s GLU 85 Cb -0.19 -2.44 -0.02 0.00 2.00 0.00 0.00 34.13 33.48 3k77 s GLU 85 CO 0.20 0.13 0.89 0.08 -0.56 0.00 0.00 175.26 176.00 3k77 s VAL 86 N -1.96 4.90 -0.27 3.70 1.01 -1.26 0.48 120.40 127.00 3k77 s VAL 86 Ca 0.55 1.83 -0.15 0.00 0.00 0.00 0.00 61.98 64.21 3k77 s VAL 86 Cb -0.11 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 31.93 3k77 s VAL 86 CO 0.17 0.13 -0.34 -0.11 0.00 0.00 0.00 175.10 174.95 3k77 n LEU 87 N 4.35 1.95 -4.23 3.92 7.94 0.03 -4.62 117.00 126.34 3k77 n LEU 87 Ca 0.05 0.34 -0.36 0.00 -1.11 0.00 0.00 56.01 54.93 3k77 n LEU 87 Cb 0.50 -0.82 -0.13 0.00 0.53 0.00 0.00 43.42 43.50 3k77 n LEU 87 CO 0.50 0.48 -0.31 -0.22 -1.11 0.00 0.00 177.39 176.73 3k77 s LEU 88 N -7.56 4.01 0.74 -1.96 2.96 -0.32 -0.53 118.68 116.01 3k77 s LEU 88 Ca -0.38 -1.15 -0.15 0.00 -0.22 0.00 0.00 54.13 52.23 3k77 s LEU 88 Cb 0.14 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 45.08 3k77 s LEU 88 CO 0.49 -0.27 1.24 0.55 -1.32 0.00 0.00 176.35 177.04 3k77 n VAL 89 N 4.72 3.38 -1.60 1.68 3.14 -1.26 -1.90 118.33 126.49 3k77 n VAL 89 Ca -0.13 -0.34 -0.60 0.00 -2.96 0.00 0.00 64.34 60.31 3k77 n VAL 89 Cb 0.44 -1.33 -0.09 0.00 -1.06 0.00 0.00 33.84 31.80 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 -2.66 0.15 -4.96 1.55 -1.04 -1.26 -4.78 114.28 101.27 3k77 n THR 90 Ca 0.15 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.77 3k77 n THR 90 Cb 0.49 -0.95 -0.14 0.00 -1.82 0.00 0.00 70.33 67.91 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 4.41 3.84 0.19 8.00 0.01 -0.04 -4.92 113.70 125.18 3k77 s SER 91 Ca 1.06 -0.25 -0.26 0.00 1.31 0.00 0.00 55.95 57.81 3k77 s SER 91 Cb -1.24 -0.75 -0.08 0.00 0.21 0.00 0.00 66.02 64.16 3k77 s SER 91 CO 0.68 0.34 0.81 -0.55 0.41 0.00 0.00 173.24 174.93 3k77 s SER 92 N -0.72 7.44 0.00 2.44 0.15 -1.26 -1.19 113.70 120.55 3k77 s SER 92 Ca 0.11 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.47 3k77 s SER 92 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 3k77 s SER 92 CO 0.00 0.19 0.00 0.49 1.20 0.00 0.00 173.24 175.12 3k77 n PHE 93 N 1.52 0.00 -3.64 3.44 3.72 -0.40 -4.96 117.46 117.14 3k77 n PHE 93 Ca -0.05 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.24 3k77 n PHE 93 Cb 0.48 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.61 0.76 0.75 -1.08 1.75 -1.18 -4.79 119.30 114.89 3k77 s MET 94 Ca 0.00 1.06 -0.09 0.00 -1.25 0.00 0.00 55.69 55.41 3k77 s MET 94 Cb 0.00 0.28 0.07 0.00 2.84 0.00 0.00 34.83 38.02 3k77 s MET 94 CO 0.00 -0.12 1.09 -1.54 -0.65 0.00 0.00 175.02 173.80 3k77 s SER 95 N 0.90 4.71 0.19 1.11 1.04 -1.26 -4.72 113.70 115.68 3k77 s SER 95 Ca -0.04 0.64 -0.12 0.00 0.48 0.00 0.00 55.95 56.90 3k77 s SER 95 Cb -0.05 -1.23 0.12 0.00 0.10 0.00 0.00 66.02 64.96 3k77 s SER 95 CO -0.08 -1.72 1.84 -0.65 0.98 0.00 0.00 173.24 173.62 3k77 h PRO 96 N -0.80 0.77 -0.26 4.02 0.11 -1.98 0.28 132.00 134.14 3k77 h PRO 96 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3k77 h PRO 96 Cb 1.32 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3k77 h PRO 96 CO 0.63 0.51 0.11 0.77 -0.21 0.00 0.00 178.00 179.81 3k77 h SER 97 N 0.79 0.34 -0.30 -2.05 0.02 -1.96 0.54 113.55 110.94 3k77 h SER 97 Ca 0.24 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3k77 h SER 97 Cb -0.04 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3k77 h SER 97 CO -0.07 0.39 0.05 -0.33 -1.14 0.00 0.00 176.83 175.74 3k77 h GLU 98 N 0.27 0.49 -0.85 3.45 5.08 -1.83 -1.43 114.58 119.76 3k77 h GLU 98 Ca 0.09 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3k77 h GLU 98 Cb 0.15 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 3k77 h GLU 98 CO -0.01 0.58 0.50 0.77 -1.00 0.00 0.00 179.01 179.86 3k77 h SER 99 N 0.31 0.75 -0.35 1.42 0.02 -0.27 1.18 113.55 116.62 3k77 h SER 99 Ca 0.09 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 3k77 h SER 99 Cb 0.33 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3k77 h SER 99 CO 0.00 0.45 -0.24 0.03 -1.14 0.00 0.00 176.83 175.93 3k77 h ARG 100 N 0.87 0.85 0.00 3.45 3.08 -0.65 -3.23 114.38 118.75 3k77 h ARG 100 Ca 0.40 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3k77 h ARG 100 Cb 0.30 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3k77 h ARG 100 CO -0.22 1.00 -1.05 -1.13 -1.07 0.00 0.00 179.97 177.50 3k77 n SER 101 N -4.10 0.61 0.00 7.04 3.41 -0.56 -4.98 113.62 115.05 3k77 n SER 101 Ca -0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3k77 n SER 101 Cb 0.45 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 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 3.77 5.00 0.00 0.40 -5.05 105.19 111.12 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 7.29 -1.14 1.61 0.01 -0.52 -4.30 113.70 113.73 3k77 s SER 103 Ca 0.00 1.53 -0.13 0.00 1.31 0.00 0.00 55.95 58.66 3k77 s SER 103 Cb 0.00 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 3k77 s SER 103 CO 0.00 0.13 0.82 0.59 0.41 0.00 0.00 173.24 175.19 3k77 n ASN 104 N 2.13 -5.09 0.05 2.44 4.13 -1.26 -4.60 115.26 113.05 3k77 n ASN 104 Ca -0.05 -0.88 0.13 0.00 1.68 0.00 0.00 54.58 55.46 3k77 n ASN 104 Cb 0.49 -4.11 0.35 0.00 -1.54 0.00 0.00 39.78 34.97 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 -3.88 0.16 -0.27 3.52 -0.02 -1.26 -4.22 135.00 129.03 3k77 n PRO 105 Ca -0.12 0.08 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 3k77 n PRO 105 Cb 0.61 -1.64 0.21 0.00 -0.02 0.00 0.00 33.50 32.66 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 -1.90 3.34 -4.65 2.55 5.03 -1.26 -1.66 115.26 116.72 3k77 n ASN 106 Ca 0.05 -2.14 -0.51 0.00 0.87 0.00 0.00 54.58 52.85 3k77 n ASN 106 Cb 0.39 -0.33 -0.05 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 0.64 1.61 -4.35 3.52 0.63 -1.26 -4.28 116.66 113.16 3k77 n ARG 107 Ca 0.16 0.58 -0.34 0.00 -0.92 0.00 0.00 57.85 57.33 3k77 n ARG 107 Cb 0.54 -2.30 -0.11 0.00 0.45 0.00 0.00 32.46 31.04 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 1.62 4.12 -0.04 5.15 0.11 -1.26 -1.35 120.40 128.76 3k77 s VAL 108 Ca 0.86 -0.29 0.02 0.00 -2.93 0.00 0.00 61.98 59.64 3k77 s VAL 108 Cb -0.85 -2.79 0.01 0.00 -1.53 0.00 0.00 36.38 31.22 3k77 s VAL 108 CO 0.48 0.53 -0.08 -0.13 -3.33 0.00 0.00 175.10 172.56 3k77 s ARG 109 N -0.05 1.04 -0.13 1.54 0.52 -0.01 -4.98 118.95 116.88 3k77 s ARG 109 Ca 0.03 -0.26 -0.07 0.00 -0.52 0.00 0.00 55.73 54.91 3k77 s ARG 109 Cb -0.13 -0.96 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 3k77 s ARG 109 CO 0.02 0.04 0.11 1.41 0.02 0.00 0.00 175.30 176.90 3k77 s MET 110 N 0.50 3.54 -0.27 3.54 1.75 -1.26 -1.01 119.30 126.08 3k77 s MET 110 Ca -0.08 -0.20 0.00 0.00 -1.25 0.00 0.00 55.69 54.16 3k77 s MET 110 Cb -0.12 -3.17 0.08 0.00 2.84 0.00 0.00 34.83 34.46 3k77 s MET 110 CO 0.01 0.65 0.02 -0.06 -0.65 0.00 0.00 175.02 174.99 3k77 s PHE 111 N -0.68 2.30 0.26 4.11 0.40 0.97 -5.00 117.98 120.34 3k77 s PHE 111 Ca 0.13 -1.88 -0.03 0.00 -0.60 0.00 0.00 56.93 54.54 3k77 s PHE 111 Cb -0.12 -1.80 0.06 0.00 0.51 0.00 0.00 43.02 41.67 3k77 s PHE 111 CO 0.02 -0.82 0.36 0.41 0.70 0.00 0.00 175.22 175.90 3k77 n GLY 112 N 4.69 -0.64 0.29 4.36 0.00 -1.26 -1.09 105.19 111.53 3k77 n GLY 112 Ca -0.06 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.88 -1.99 132.00 129.85 3k77 h PRO 113 Ca -0.12 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 3k77 h PRO 113 Cb 0.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 3k77 h PRO 113 CO 0.09 0.00 -0.11 0.38 -0.21 0.00 0.00 178.00 178.15 3k77 h ASP 114 N 0.00 0.00 0.06 -2.05 -0.00 -1.92 -3.25 116.42 109.26 3k77 h ASP 114 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.08 3k77 h ASP 114 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 3k77 h ASP 114 CO -0.00 0.11 -0.56 0.29 -0.00 0.00 0.00 179.24 179.08 3k77 n LYS 115 N -3.14 0.82 -3.17 4.15 5.02 -0.76 -4.91 118.16 116.18 3k77 n LYS 115 Ca 0.03 -0.65 -0.27 0.00 -2.02 0.00 0.00 58.31 55.40 3k77 n LYS 115 Cb 0.55 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 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 -2.62 3.93 -0.01 -0.35 1.43 -1.16 -4.72 118.68 115.19 3k77 s LEU 116 Ca 0.17 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 3k77 s LEU 116 Cb 0.18 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3k77 s LEU 116 CO 0.64 -0.33 1.20 0.68 0.23 0.00 0.00 176.35 178.77 3k77 s VAL 117 N -2.33 4.18 -0.49 -1.59 -7.23 0.31 -4.94 120.40 108.32 3k77 s VAL 117 Ca 0.44 1.54 0.24 0.00 -1.81 0.00 0.00 61.98 62.38 3k77 s VAL 117 Cb -0.10 -3.99 0.29 0.00 0.56 0.00 0.00 36.38 33.14 3k77 s VAL 117 CO 0.35 0.05 1.59 0.03 -0.31 0.00 0.00 175.10 176.81 3k77 h ARG 118 N 7.21 0.00 0.16 4.82 3.08 -1.89 0.11 114.38 127.87 3k77 h ARG 118 Ca -0.37 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3k77 h ARG 118 Cb 1.18 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 -0.08 0.00 -1.07 0.00 0.00 179.97 179.67 3k77 h ALA 119 N 2.12 -0.21 -0.28 0.04 0.00 -1.95 -1.35 119.26 117.63 3k77 h ALA 119 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 3k77 h ALA 119 Cb 0.94 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3k77 h ALA 119 CO 0.00 -0.52 -0.56 0.00 0.00 0.00 0.00 179.25 178.17 3k77 h ALA 120 N 0.40 0.46 0.00 0.00 0.00 -1.79 -3.09 119.26 115.23 3k77 h ALA 120 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3k77 h ALA 120 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3k77 h ALA 120 CO 0.04 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.97 3k77 n ALA 121 N -2.57 1.51 0.08 0.00 0.00 0.36 -2.57 120.51 117.32 3k77 n ALA 121 Ca -0.05 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 3k77 n ALA 121 Cb 0.64 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 0.27 -7.18 0.00 4.57 -1.15 -3.42 114.58 107.67 3k77 h GLU 122 Ca 0.00 -0.31 -0.46 0.00 -1.18 0.00 0.00 59.36 57.41 3k77 h GLU 122 Cb 0.28 0.09 0.09 0.00 -0.16 0.00 0.00 28.75 29.05 3k77 h GLU 122 CO 0.00 1.03 0.14 0.15 -1.18 0.00 0.00 179.01 179.15 3k77 s LYS 123 N -3.16 1.78 -0.02 1.92 1.02 -1.06 -5.03 119.74 115.19 3k77 s LYS 123 Ca -0.04 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.11 3k77 s LYS 123 Cb 0.09 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 3k77 s LYS 123 CO 0.85 -1.41 0.02 1.03 -0.92 0.00 0.00 175.35 174.92 3k77 s ARG 124 N -5.18 2.87 0.15 1.68 0.52 -1.26 -4.45 118.95 113.28 3k77 s ARG 124 Ca 0.65 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 55.29 3k77 s ARG 124 Cb -0.07 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 3k77 s ARG 124 CO 0.44 0.64 0.07 -1.58 0.02 0.00 0.00 175.30 174.90 3k77 s TRP 125 N -1.07 0.97 0.00 -0.53 0.52 0.15 -4.82 118.94 114.15 3k77 s TRP 125 Ca 0.19 -1.26 0.00 0.00 0.02 0.00 0.00 56.10 55.05 3k77 s TRP 125 Cb -0.12 -0.52 0.00 0.00 -1.15 0.00 0.00 33.47 31.68 3k77 s TRP 125 CO 0.10 -0.53 0.31 -0.40 0.02 0.00 0.00 176.95 176.45 3k77 n ASP 126 N -0.15 0.39 -4.26 2.95 5.75 -1.13 -0.00 116.55 120.09 3k77 n ASP 126 Ca -0.04 -1.10 -0.24 0.00 -0.01 0.00 0.00 54.79 53.41 3k77 n ASP 126 Cb 0.64 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 -0.10 1.18 -0.05 0.11 1.81 -0.65 -0.31 118.95 120.94 3k77 s ARG 127 Ca 0.00 -1.04 -0.02 0.00 -1.72 0.00 0.00 55.73 52.94 3k77 s ARG 127 Cb 0.00 -1.36 0.04 0.00 -0.45 0.00 0.00 34.95 33.17 3k77 s ARG 127 CO 0.00 0.33 0.09 0.08 -0.68 0.00 0.00 175.30 175.12 3k77 s VAL 128 N -1.02 -0.15 -0.21 3.52 1.01 -0.11 -1.87 120.40 121.57 3k77 s VAL 128 Ca 0.06 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 3k77 s VAL 128 Cb -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 3k77 s VAL 128 CO 0.03 0.15 0.05 -0.75 0.00 0.00 0.00 175.10 174.59 3k77 s LYS 129 N 2.04 3.76 -0.20 2.72 2.20 0.71 -0.00 119.74 130.97 3k77 s LYS 129 Ca 0.02 -0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 3k77 s LYS 129 Cb -0.12 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 3k77 s LYS 129 CO -0.04 0.02 -0.05 0.42 -0.36 0.00 0.00 175.35 175.35 3k77 s ILE 130 N 1.03 3.43 -0.17 5.43 1.01 -0.28 0.21 121.20 131.86 3k77 s ILE 130 Ca 0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 3k77 s ILE 130 Cb -0.14 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 3k77 s ILE 130 CO 0.03 0.44 -0.08 -0.69 0.00 0.00 0.00 174.94 174.64 3k77 s VAL 131 N 1.21 3.32 -0.06 2.92 1.01 0.67 -2.16 120.40 127.31 3k77 s VAL 131 Ca 0.03 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3k77 s VAL 131 Cb -0.14 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3k77 s VAL 131 CO -0.01 0.48 -0.15 0.00 0.00 0.00 0.00 175.10 175.41 3k77 s SER 133 N -0.52 2.13 -0.41 0.00 0.01 -0.24 -0.89 113.70 113.78 3k77 s SER 133 Ca 0.07 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.84 3k77 s SER 133 Cb -0.12 -0.15 0.17 0.00 0.21 0.00 0.00 66.02 66.13 3k77 s SER 133 CO 0.01 0.08 0.42 -1.58 0.41 0.00 0.00 173.24 172.58 3k77 s GLN 134 N -1.33 0.81 0.16 12.44 2.00 -0.14 -0.30 119.66 133.30 3k77 s GLN 134 Ca 0.04 -1.37 0.25 0.00 -2.00 0.00 0.00 55.36 52.29 3k77 s GLN 134 Cb -0.09 -0.87 0.49 0.00 0.80 0.00 0.00 33.01 33.34 3k77 s GLN 134 CO 0.02 -1.29 1.47 -1.35 -0.50 0.00 0.00 175.29 173.64 3k77 h PRO 135 N 6.18 0.00 0.00 1.67 0.11 -1.93 -3.36 132.00 134.66 3k77 h PRO 135 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 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 -0.66 0.66 -0.21 0.00 0.00 178.00 178.01 3k77 n TYR 136 N -2.20 0.06 -3.67 0.65 4.01 -1.26 -4.87 117.16 109.88 3k77 n TYR 136 Ca 0.04 0.02 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 3k77 n TYR 136 Cb 0.44 -0.25 -0.09 0.00 -0.31 0.00 0.00 39.34 39.13 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 -3.18 -0.68 -0.08 7.72 0.15 -1.26 -4.35 113.70 112.02 3k77 s SER 137 Ca 0.09 1.14 0.13 0.00 0.70 0.00 0.00 55.95 58.01 3k77 s SER 137 Cb 0.17 1.04 0.37 0.00 -1.71 0.00 0.00 66.02 65.89 3k77 s SER 137 CO 0.74 -0.21 1.30 0.29 1.20 0.00 0.00 173.24 176.56 3k77 n LYS 138 N 4.34 2.84 0.16 5.44 5.02 -1.26 -4.65 118.16 130.05 3k77 n LYS 138 Ca -0.21 -2.35 0.03 0.00 -2.02 0.00 0.00 58.31 53.76 3k77 n LYS 138 Cb 0.56 -1.49 0.20 0.00 -0.02 0.00 0.00 35.03 34.28 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 1.73 0.00 -5.07 4.39 3.32 -1.94 -3.08 116.42 115.76 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 1.01 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.38 3k77 h ASP 139 CO 0.09 0.48 -0.57 -0.44 -1.72 0.00 0.00 179.24 177.08 3k77 s SER 140 N -6.50 0.21 0.61 6.45 0.01 -1.26 -4.90 113.70 108.32 3k77 s SER 140 Ca 0.01 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 56.54 3k77 s SER 140 Cb 0.10 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 3k77 s SER 140 CO 0.72 -0.46 1.26 -2.84 0.41 0.00 0.00 173.24 172.33 3k77 s PRO 141 N -2.39 2.83 0.18 12.44 0.02 -1.26 -4.12 135.00 142.70 3k77 s PRO 141 Ca -0.07 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 62.88 3k77 s PRO 141 Cb -0.03 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 3k77 s PRO 141 CO -0.04 -1.35 0.18 -0.59 -0.33 0.00 0.00 177.00 174.87 3k77 s PHE 142 N -1.48 0.87 -0.02 6.54 -0.12 -1.26 -4.90 117.98 117.62 3k77 s PHE 142 Ca 0.79 -1.17 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 3k77 s PHE 142 Cb -0.34 -0.37 0.00 0.00 -0.63 0.00 0.00 43.02 41.68 3k77 s PHE 142 CO 0.37 -0.67 0.00 0.41 -0.05 0.00 0.00 175.22 175.29 3k77 n GLY 143 N -0.23 -0.91 3.37 1.99 0.00 -0.27 -1.76 105.19 107.38 3k77 n GLY 143 Ca -0.02 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 2.43 -0.12 0.99 1.43 -0.50 -2.07 118.68 120.84 3k77 s LEU 144 Ca 0.00 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 52.11 3k77 s LEU 144 Cb 0.00 -1.00 -0.26 0.00 0.03 0.00 0.00 46.19 44.96 3k77 s LEU 144 CO 0.00 0.05 0.47 -1.28 0.23 0.00 0.00 176.35 175.81 3k77 h SER 145 N 3.27 0.35 -5.09 2.29 0.87 0.55 -0.93 113.55 114.87 3k77 h SER 145 Ca -0.44 -0.84 0.05 0.00 -1.23 0.00 0.00 61.79 59.33 3k77 h SER 145 Cb 1.21 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 3k77 h SER 145 CO 0.49 1.68 0.32 0.72 -0.53 0.00 0.00 176.83 179.51 3k77 s PHE 146 N -2.49 -0.02 -0.19 2.24 -0.12 -1.10 -4.23 117.98 112.07 3k77 s PHE 146 Ca -0.21 -0.52 -0.12 0.00 -0.05 0.00 0.00 56.93 56.03 3k77 s PHE 146 Cb 0.05 0.76 0.06 0.00 -0.63 0.00 0.00 43.02 43.26 3k77 s PHE 146 CO 0.75 -1.30 0.48 0.54 -0.05 0.00 0.00 175.22 175.64 3k77 s VAL 147 N -2.93 -0.01 -0.10 -2.49 0.11 -1.26 -1.45 120.40 112.26 3k77 s VAL 147 Ca 0.14 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 3k77 s VAL 147 Cb -0.05 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 3k77 s VAL 147 CO 0.08 0.02 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.62 3k77 s ARG 148 N 1.13 1.94 -0.01 1.54 0.52 -0.44 -4.59 118.95 119.04 3k77 s ARG 148 Ca -0.07 -0.46 -0.00 0.00 -0.52 0.00 0.00 55.73 54.68 3k77 s ARG 148 Cb -0.06 -1.72 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 3k77 s ARG 148 CO -0.10 -0.10 0.05 -0.06 0.02 0.00 0.00 175.30 175.11 3k77 s PHE 149 N 1.11 3.22 -0.01 -0.53 0.08 -1.26 -0.49 117.98 120.09 3k77 s PHE 149 Ca -0.05 0.18 0.03 0.00 0.12 0.00 0.00 56.93 57.21 3k77 s PHE 149 Cb -0.14 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 3k77 s PHE 149 CO -0.02 0.52 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.50 3k77 s HIS 150 N -1.13 1.01 0.61 0.36 3.76 -0.79 -0.48 115.29 118.63 3k77 s HIS 150 Ca 0.21 -0.21 -0.07 0.00 -0.15 0.00 0.00 55.06 54.84 3k77 s HIS 150 Cb -0.12 -0.66 0.01 0.00 1.11 0.00 0.00 32.58 32.92 3k77 s HIS 150 CO 0.12 -0.04 0.93 -1.54 -0.85 0.00 0.00 174.74 173.36 3k77 s SER 151 N -0.17 5.57 0.48 1.40 1.04 0.49 0.92 113.70 123.43 3k77 s SER 151 Ca 0.03 0.79 -0.24 0.00 0.48 0.00 0.00 55.95 57.01 3k77 s SER 151 Cb -0.05 -1.75 -0.07 0.00 0.10 0.00 0.00 66.02 64.24 3k77 s SER 151 CO -0.00 -1.11 1.30 -2.65 0.98 0.00 0.00 173.24 171.76 3k77 n PRO 152 N -2.66 1.82 0.00 4.02 -0.02 -1.25 -3.09 135.00 133.83 3k77 n PRO 152 Ca 0.05 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.33 3k77 n PRO 152 Cb 0.57 -2.47 0.83 0.00 -0.02 0.00 0.00 33.50 32.41 3k77 n PRO 152 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18