#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gj4 s VAL 17 N 0.00 4.59 -1.55 1.39 1.01 0.29 -4.24 120.40 121.89 1gj4 s VAL 17 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1gj4 s VAL 17 Cb 0.00 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.47 1gj4 s VAL 17 CO 0.00 0.44 0.72 -0.62 0.00 0.00 0.00 175.10 175.64 1gj4 n GLU 18 N 1.51 -3.44 -4.19 2.72 -0.58 -1.26 -2.28 120.64 113.12 1gj4 n GLU 18 Ca -0.15 0.41 -0.25 0.00 -0.42 0.00 0.00 57.16 56.75 1gj4 n GLU 18 Cb 0.53 -5.15 -0.08 0.00 -0.57 0.00 0.00 31.44 26.17 1gj4 n GLU 18 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1gj4 s GLY 19 N -3.11 2.24 0.49 0.62 0.00 -1.26 -4.63 107.32 101.67 1gj4 s GLY 19 Ca 0.64 -2.05 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1gj4 s GLY 19 CO 0.79 -1.90 0.16 -1.14 0.00 0.00 0.00 173.10 171.01 1gj4 n SER 20 N -1.15 3.02 -4.78 1.64 3.41 -0.12 -4.81 113.62 110.82 1gj4 n SER 20 Ca -0.02 -2.93 -0.37 0.00 -0.26 0.00 0.00 58.87 55.29 1gj4 n SER 20 Cb 0.64 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 1gj4 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1gj4 s ASP 21 N -3.76 6.94 0.97 4.04 1.01 -1.26 -0.25 116.67 124.36 1gj4 s ASP 21 Ca 0.12 2.00 -0.15 0.00 0.71 0.00 0.00 52.55 55.23 1gj4 s ASP 21 Cb -0.01 -2.59 0.21 0.00 1.01 0.00 0.00 42.92 41.55 1gj4 s ASP 21 CO 0.08 -0.36 1.32 0.00 0.21 0.00 0.00 175.17 176.42 1gj4 s ALA 22 N -1.62 2.29 0.33 5.23 0.00 0.41 -4.73 121.76 123.68 1gj4 s ALA 22 Ca 0.55 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 51.25 1gj4 s ALA 22 Cb -0.22 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1gj4 s ALA 22 CO 0.27 -2.48 0.28 -1.21 0.00 0.00 0.00 175.76 172.62 1gj4 s GLU 23 N -5.88 2.73 0.33 0.00 2.02 -1.26 -4.94 118.70 111.70 1gj4 s GLU 23 Ca 0.75 -1.28 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 1gj4 s GLU 23 Cb -0.03 -2.48 -0.10 0.00 0.10 0.00 0.00 34.13 31.63 1gj4 s GLU 23 CO 0.53 0.12 1.22 0.42 0.02 0.00 0.00 175.26 177.57 1gj4 s ILE 24 N -2.29 3.02 -1.80 -1.63 -1.09 -1.26 -2.71 121.20 113.44 1gj4 s ILE 24 Ca 0.40 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1gj4 s ILE 24 Cb -0.06 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1gj4 s ILE 24 CO 0.26 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1gj4 n GLY 25 N 0.87 0.15 0.14 6.18 0.00 -1.26 -4.89 105.19 106.38 1gj4 n GLY 25 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1gj4 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1gj4 h MET 26 N 0.00 0.50 -2.12 1.61 -1.53 -1.88 -3.38 114.93 108.13 1gj4 h MET 26 Ca -0.45 -0.84 -0.56 0.00 -3.44 0.00 0.00 59.70 54.41 1gj4 h MET 26 Cb 1.33 0.31 -0.41 0.00 -0.55 0.00 0.00 31.60 32.28 1gj4 h MET 26 CO 0.56 1.40 -0.86 0.43 0.14 0.00 0.00 176.91 178.58 1gj4 n SER 27 N -3.69 2.38 0.00 1.39 7.64 -1.26 -4.95 113.62 115.13 1gj4 n SER 27 Ca -0.15 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.52 1gj4 n SER 27 Cb 1.08 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1gj4 n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1gj4 n PRO 28 N 0.67 0.00 -0.15 1.43 -0.04 -1.26 -0.70 135.00 134.95 1gj4 n PRO 28 Ca 0.27 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 1gj4 n PRO 28 Cb 0.49 -1.51 0.20 0.00 -0.04 0.00 0.00 33.50 32.63 1gj4 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gj4 n TRP 29 N -1.41 0.39 -2.46 0.54 2.14 -1.18 -2.72 117.44 112.73 1gj4 n TRP 29 Ca 0.00 -0.19 -0.42 0.00 2.07 0.00 0.00 57.50 58.95 1gj4 n TRP 29 Cb 0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.49 1gj4 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1gj4 s GLN 30 N -1.61 4.39 0.34 -2.67 2.00 0.13 -1.06 119.66 121.17 1gj4 s GLN 30 Ca 0.37 1.70 0.09 0.00 -2.00 0.00 0.00 55.36 55.51 1gj4 s GLN 30 Cb 0.22 -3.48 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 1gj4 s GLN 30 CO 0.31 -0.36 -0.00 0.08 -0.50 0.00 0.00 175.29 174.82 1gj4 s VAL 31 N 1.74 2.59 -0.07 1.34 1.01 -0.32 -4.38 120.40 122.31 1gj4 s VAL 31 Ca 0.57 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.57 1gj4 s VAL 31 Cb -0.26 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1gj4 s VAL 31 CO 0.25 -0.20 -0.15 -0.32 0.00 0.00 0.00 175.10 174.68 1gj4 s MET 32 N -3.70 1.99 -0.23 2.72 1.75 -1.00 -2.22 119.30 118.61 1gj4 s MET 32 Ca 0.34 -0.51 -0.12 0.00 -1.25 0.00 0.00 55.69 54.15 1gj4 s MET 32 Cb 0.00 -1.60 -0.05 0.00 2.84 0.00 0.00 34.83 36.03 1gj4 s MET 32 CO 0.19 0.06 0.22 -0.51 -0.65 0.00 0.00 175.02 174.33 1gj4 s LEU 33 N 0.60 4.12 0.08 4.11 1.43 -0.54 -1.45 118.68 127.03 1gj4 s LEU 33 Ca -0.15 0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1gj4 s LEU 33 Cb -0.16 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1gj4 s LEU 33 CO 0.05 0.02 -0.21 0.12 0.23 0.00 0.00 176.35 176.56 1gj4 s PHE 34 N 1.18 2.48 0.03 0.29 5.36 0.31 -1.20 117.98 126.43 1gj4 s PHE 34 Ca 0.10 -0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 55.75 1gj4 s PHE 34 Cb -0.14 -1.38 -0.04 0.00 -0.34 0.00 0.00 43.02 41.12 1gj4 s PHE 34 CO 0.06 0.30 0.22 0.50 -1.46 0.00 0.00 175.22 174.83 1gj4 s ARG 35 N -1.75 3.47 -0.12 10.12 3.52 -0.46 -0.71 118.95 133.02 1gj4 s ARG 35 Ca 0.15 -0.32 -0.07 0.00 -0.13 0.00 0.00 55.73 55.36 1gj4 s ARG 35 Cb -0.10 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.18 1gj4 s ARG 35 CO 0.07 0.63 0.09 0.87 -0.81 0.00 0.00 175.30 176.14 1gj4 h LYS 36 N 3.46 0.00 -4.47 5.12 1.57 -1.87 -3.23 116.57 117.15 1gj4 h LYS 36 Ca -0.47 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.77 1gj4 h LYS 36 Cb 1.18 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.13 1gj4 h LYS 36 CO 0.72 0.19 -0.81 0.45 -0.57 0.00 0.00 179.45 179.42 1gj4 s SER 36 N -5.74 2.10 0.95 0.86 0.15 -1.26 -2.38 113.70 108.38 1gj4 s SER 36 Ca -0.07 -0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.14 1gj4 s SER 36 Cb 0.00 -0.90 0.16 0.00 -1.71 0.00 0.00 66.02 63.57 1gj4 s SER 36 CO 0.17 -0.03 1.08 -0.81 1.20 0.00 0.00 173.24 174.84 1gj4 n PRO 37 N 4.37 -0.66 -2.73 5.44 -0.04 -1.26 -5.01 135.00 135.10 1gj4 n PRO 37 Ca -0.18 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 62.72 1gj4 n PRO 37 Cb 0.51 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 1gj4 n PRO 37 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1gj4 s GLN 38 N -4.54 3.50 0.07 0.54 -0.21 -1.00 -4.51 119.66 113.51 1gj4 s GLN 38 Ca 0.66 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.81 1gj4 s GLN 38 Cb -0.23 -4.95 -0.04 0.00 1.00 0.00 0.00 33.01 28.80 1gj4 s GLN 38 CO 0.59 -1.99 -0.06 -1.83 -2.12 0.00 0.00 175.29 169.88 1gj4 s GLU 39 N 4.07 0.70 0.19 2.91 -1.05 -1.22 -4.94 118.70 119.35 1gj4 s GLU 39 Ca 0.37 -1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 53.77 1gj4 s GLU 39 Cb -0.05 -0.16 -0.08 0.00 -0.44 0.00 0.00 34.13 33.40 1gj4 s GLU 39 CO -0.05 -0.01 1.18 -1.17 0.95 0.00 0.00 175.26 176.16 1gj4 s LEU 40 N -2.54 4.46 -0.07 1.83 2.96 -1.26 -1.35 118.68 122.71 1gj4 s LEU 40 Ca 0.04 2.22 -0.09 0.00 -0.22 0.00 0.00 54.13 56.08 1gj4 s LEU 40 Cb 0.01 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1gj4 s LEU 40 CO -0.04 -0.35 -0.18 -0.11 -1.32 0.00 0.00 176.35 174.36 1gj4 n LEU 41 N 2.40 1.25 0.00 -0.68 7.94 -0.34 -4.92 117.00 122.65 1gj4 n LEU 41 Ca 0.04 0.20 -0.03 0.00 -1.11 0.00 0.00 56.01 55.11 1gj4 n LEU 41 Cb 0.45 -0.54 -0.00 0.00 0.53 0.00 0.00 43.42 43.85 1gj4 n LEU 41 CO 0.55 -0.45 0.04 0.00 -1.11 0.00 0.00 177.39 176.43 1gj4 s GLY 43 N -1.43 1.95 0.30 0.00 0.00 0.38 -1.46 107.32 107.06 1gj4 s GLY 43 Ca 0.05 -1.86 -0.13 0.00 0.00 0.00 0.00 44.72 42.79 1gj4 s GLY 43 CO 0.04 -1.81 0.69 0.00 0.00 0.00 0.00 173.10 172.02 1gj4 n ALA 44 N -1.03 -1.61 -2.69 3.20 0.00 -0.94 -2.79 120.51 114.66 1gj4 n ALA 44 Ca -0.04 -1.02 -0.09 0.00 0.00 0.00 0.00 53.44 52.28 1gj4 n ALA 44 Cb 0.61 0.78 -0.11 0.00 0.00 0.00 0.00 19.45 20.74 1gj4 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1gj4 s SER 45 N -2.78 0.45 -0.25 0.00 1.04 -1.02 -1.17 113.70 109.97 1gj4 s SER 45 Ca 0.14 -0.67 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 1gj4 s SER 45 Cb -0.04 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1gj4 s SER 45 CO 0.09 -0.37 0.33 -0.22 0.98 0.00 0.00 173.24 174.04 1gj4 s LEU 46 N -1.95 4.08 -0.01 2.42 0.20 -0.22 -1.12 118.68 122.08 1gj4 s LEU 46 Ca -0.08 0.29 0.11 0.00 0.69 0.00 0.00 54.13 55.15 1gj4 s LEU 46 Cb -0.04 -2.37 -0.16 0.00 -0.43 0.00 0.00 46.19 43.19 1gj4 s LEU 46 CO -0.03 -0.10 0.35 2.30 -0.29 0.00 0.00 176.35 178.58 1gj4 n ILE 47 N 4.74 0.00 -2.92 6.68 -5.35 -0.66 -1.59 119.36 120.26 1gj4 n ILE 47 Ca -0.10 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1gj4 n ILE 47 Cb 0.51 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1gj4 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1gj4 n SER 48 N -1.63 0.00 -0.07 7.28 3.41 -1.24 -4.58 113.62 116.79 1gj4 n SER 48 Ca -0.00 -0.51 0.13 0.00 -0.26 0.00 0.00 58.87 58.22 1gj4 n SER 48 Cb 0.25 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.55 1gj4 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1gj4 n ASP 49 N -0.93 0.58 0.00 4.04 5.75 -1.26 -4.13 116.55 120.60 1gj4 n ASP 49 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.40 1gj4 n ASP 49 Cb 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1gj4 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gj4 n ARG 50 N -1.23 2.18 -5.27 0.11 3.00 -1.26 -1.65 116.66 112.54 1gj4 n ARG 50 Ca 0.08 -0.25 -0.31 0.00 -0.01 0.00 0.00 57.85 57.36 1gj4 n ARG 50 Cb 0.33 -0.73 -0.16 0.00 0.00 0.00 0.00 32.46 31.91 1gj4 n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1gj4 s TRP 51 N -0.38 2.39 0.02 -1.55 0.52 -1.26 -0.82 118.94 117.85 1gj4 s TRP 51 Ca 0.00 -0.50 0.08 0.00 0.02 0.00 0.00 56.10 55.70 1gj4 s TRP 51 Cb 0.00 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1gj4 s TRP 51 CO 0.00 -0.07 -0.23 0.08 0.02 0.00 0.00 176.95 176.75 1gj4 s VAL 52 N -0.49 1.83 -0.00 4.03 1.01 -0.40 -1.65 120.40 124.72 1gj4 s VAL 52 Ca 0.06 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 60.95 1gj4 s VAL 52 Cb -0.11 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1gj4 s VAL 52 CO 0.00 0.35 -0.23 -0.22 0.00 0.00 0.00 175.10 175.00 1gj4 s LEU 53 N -0.97 2.26 0.00 3.92 2.96 -0.28 -0.35 118.68 126.22 1gj4 s LEU 53 Ca 0.09 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1gj4 s LEU 53 Cb -0.09 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.21 1gj4 s LEU 53 CO 0.01 0.30 0.00 1.07 -1.32 0.00 0.00 176.35 176.41 1gj4 n THR 54 N 2.18 0.00 -3.94 3.68 5.66 0.36 -2.45 114.28 119.76 1gj4 n THR 54 Ca -0.16 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.47 1gj4 n THR 54 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 1gj4 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gj4 s ALA 55 N -1.47 3.74 0.39 1.79 0.00 -1.26 -2.38 121.76 122.57 1gj4 s ALA 55 Ca 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1gj4 s ALA 55 Cb 0.00 -1.92 0.79 0.00 0.00 0.00 0.00 23.12 21.99 1gj4 s ALA 55 CO 0.00 0.53 1.99 0.00 0.00 0.00 0.00 175.76 178.28 1gj4 h ALA 56 N 5.33 1.59 0.00 0.00 0.00 -1.71 -1.76 119.26 122.71 1gj4 h ALA 56 Ca -0.51 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1gj4 h ALA 56 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1gj4 h ALA 56 CO 0.60 0.32 0.00 1.12 0.00 0.00 0.00 179.25 181.30 1gj4 h HIS 57 N 0.47 0.00 0.00 0.00 2.07 -1.91 0.11 115.15 115.89 1gj4 h HIS 57 Ca 0.11 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.63 1gj4 h HIS 57 Cb 0.12 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.10 1gj4 h HIS 57 CO 0.00 0.00 -0.04 0.00 -3.07 0.00 0.00 177.93 174.82 1gj4 n LEU 59 N -3.13 2.34 -3.94 0.00 4.77 0.23 -4.90 117.00 112.37 1gj4 n LEU 59 Ca 0.02 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.73 1gj4 n LEU 59 Cb 0.42 -0.56 -0.16 0.00 -2.33 0.00 0.00 43.42 40.79 1gj4 n LEU 59 CO 0.31 0.63 -0.44 -0.22 -1.33 0.00 0.00 177.39 176.34 1gj4 s LEU 60 N -6.34 2.15 0.07 2.23 2.96 -0.30 -0.95 118.68 118.51 1gj4 s LEU 60 Ca -0.23 -0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 52.67 1gj4 s LEU 60 Cb 0.07 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.65 1gj4 s LEU 60 CO 0.36 -0.19 0.21 -0.47 -1.32 0.00 0.00 176.35 174.94 1gj4 s TYR 60 N 1.47 0.09 0.00 5.38 5.04 0.11 -4.30 117.35 125.13 1gj4 s TYR 60 Ca -0.02 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 1gj4 s TYR 60 Cb -0.17 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.12 1gj4 s TYR 60 CO -0.07 -0.52 0.00 -2.30 -1.34 0.00 0.00 175.55 171.32 1gj4 n PRO 60 N 0.17 0.00 -1.68 4.97 -0.02 -1.26 -2.15 135.00 135.03 1gj4 n PRO 60 Ca -0.16 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.15 1gj4 n PRO 60 Cb 0.61 -0.46 0.07 0.00 -0.02 0.00 0.00 33.50 33.70 1gj4 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1gj4 n TRP 60 N 0.00 2.08 -3.97 6.00 8.01 -1.26 -4.98 117.44 123.32 1gj4 n TRP 60 Ca 0.00 -2.05 -0.29 0.00 -1.31 0.00 0.00 57.50 53.85 1gj4 n TRP 60 Cb 0.00 -0.32 -0.05 0.00 -2.01 0.00 0.00 31.31 28.93 1gj4 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1gj4 n ASP 60 N -0.81 -0.60 -4.41 -0.99 8.00 -1.18 -4.91 116.55 111.66 1gj4 n ASP 60 Ca 0.38 -1.03 -0.35 0.00 0.71 0.00 0.00 54.79 54.50 1gj4 n ASP 60 Cb 0.90 -1.26 -0.13 0.00 -0.02 0.00 0.00 41.12 40.61 1gj4 n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1gj4 s LYS 60 N -6.67 3.54 -0.42 -1.24 1.02 -0.92 -4.98 119.74 110.08 1gj4 s LYS 60 Ca 0.14 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 55.61 1gj4 s LYS 60 Cb -0.08 -3.06 0.19 0.00 -0.52 0.00 0.00 37.83 34.36 1gj4 s LYS 60 CO 0.79 -0.05 0.78 1.21 -0.92 0.00 0.00 175.35 177.15 1gj4 s ASN 60 N 1.15 -1.18 0.56 2.83 2.47 -1.18 0.05 114.94 119.64 1gj4 s ASN 60 Ca 0.03 -0.90 -0.05 0.00 0.42 0.00 0.00 52.86 52.35 1gj4 s ASN 60 Cb -0.14 1.52 -0.00 0.00 -1.45 0.00 0.00 41.25 41.18 1gj4 s ASN 60 CO 0.01 -0.10 0.87 -0.36 -3.72 0.00 0.00 177.10 173.80 1gj4 s PHE 60 N 1.51 3.31 0.25 0.43 0.08 -0.12 -5.00 117.98 118.44 1gj4 s PHE 60 Ca 0.20 0.66 0.05 0.00 0.12 0.00 0.00 56.93 57.97 1gj4 s PHE 60 Cb 0.00 -2.63 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 1gj4 s PHE 60 CO -0.08 -0.70 -0.05 0.99 -0.10 0.00 0.00 175.22 175.29 1gj4 s THR 60 N -2.92 1.39 0.16 0.64 2.01 -1.26 -4.91 115.64 110.75 1gj4 s THR 60 Ca 0.52 -2.09 -0.29 0.00 0.31 0.00 0.00 61.69 60.14 1gj4 s THR 60 Cb -0.10 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1gj4 s THR 60 CO 0.45 -0.36 1.49 -0.62 -0.69 0.00 0.00 174.62 174.89 1gj4 n GLU 61 N -0.48 -0.41 0.29 4.92 -0.58 -1.26 0.12 120.64 123.25 1gj4 n GLU 61 Ca -0.06 1.47 0.18 0.00 -0.42 0.00 0.00 57.16 58.32 1gj4 n GLU 61 Cb 0.63 -2.16 0.89 0.00 -0.57 0.00 0.00 31.44 30.24 1gj4 n GLU 61 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1gj4 h ASN 62 N 0.00 0.00 0.32 1.62 4.21 -1.97 -2.16 115.58 117.61 1gj4 h ASN 62 Ca 0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1gj4 h ASN 62 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1gj4 h ASN 62 CO -0.92 0.00 -0.36 0.47 -1.29 0.00 0.00 177.43 175.33 1gj4 n ASP 63 N -3.16 0.85 -4.52 5.81 8.00 0.12 -4.95 116.55 118.70 1gj4 n ASP 63 Ca -0.01 -0.67 -0.25 0.00 0.71 0.00 0.00 54.79 54.58 1gj4 n ASP 63 Cb 0.34 0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.53 1gj4 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gj4 s LEU 64 N -2.69 2.68 0.02 0.64 1.43 -0.81 -3.05 118.68 116.89 1gj4 s LEU 64 Ca 0.19 -1.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.10 1gj4 s LEU 64 Cb 0.19 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 1gj4 s LEU 64 CO 0.59 -0.25 -0.06 -0.76 0.23 0.00 0.00 176.35 176.10 1gj4 s LEU 65 N -3.58 2.14 -0.15 1.79 1.43 0.11 -4.61 118.68 115.82 1gj4 s LEU 65 Ca 0.32 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1gj4 s LEU 65 Cb 0.03 -0.19 -0.01 0.00 0.03 0.00 0.00 46.19 46.05 1gj4 s LEU 65 CO 0.16 -0.09 -0.15 -0.69 0.23 0.00 0.00 176.35 175.81 1gj4 s VAL 66 N -0.80 2.76 -0.25 -1.59 1.01 -0.91 -0.53 120.40 120.09 1gj4 s VAL 66 Ca -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1gj4 s VAL 66 Cb -0.06 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1gj4 s VAL 66 CO 0.00 0.52 -0.06 -0.13 0.00 0.00 0.00 175.10 175.42 1gj4 s ARG 67 N 0.67 2.79 0.00 2.72 0.52 -0.53 -1.05 118.95 124.08 1gj4 s ARG 67 Ca -0.07 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.16 1gj4 s ARG 67 Cb -0.16 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 1gj4 s ARG 67 CO 0.02 -0.41 -0.07 0.42 0.02 0.00 0.00 175.30 175.28 1gj4 s ILE 68 N 1.31 3.64 0.00 1.52 1.01 0.43 -2.38 121.20 126.73 1gj4 s ILE 68 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1gj4 s ILE 68 Cb -0.17 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.72 1gj4 s ILE 68 CO -0.05 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1gj4 n GLY 69 N 1.57 0.60 3.86 6.18 0.00 -1.26 -0.20 105.19 115.93 1gj4 n GLY 69 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1gj4 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gj4 s LYS 70 N -0.99 3.09 0.16 1.61 1.02 -1.26 -4.46 119.74 118.91 1gj4 s LYS 70 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.68 1gj4 s LYS 70 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1gj4 s LYS 70 CO 0.00 -0.92 0.00 1.58 -0.92 0.00 0.00 175.35 175.09 1gj4 n HIS 71 N -2.97 -1.19 -2.37 3.18 -0.00 -1.26 -4.96 115.22 105.65 1gj4 n HIS 71 Ca 0.07 0.21 -0.37 0.00 -0.00 0.00 0.00 57.72 57.63 1gj4 n HIS 71 Cb 0.55 0.38 -0.02 0.00 -0.00 0.00 0.00 29.99 30.90 1gj4 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1gj4 s SER 72 N -5.22 6.35 -0.14 0.26 0.15 -1.26 -0.34 113.70 113.50 1gj4 s SER 72 Ca 0.00 2.19 -0.29 0.00 0.70 0.00 0.00 55.95 58.55 1gj4 s SER 72 Cb 0.00 -2.59 -0.26 0.00 -1.71 0.00 0.00 66.02 61.46 1gj4 s SER 72 CO 0.00 -0.79 0.77 -0.09 1.20 0.00 0.00 173.24 174.34 1gj4 h ARG 73 N 2.12 0.00 -0.02 5.44 2.43 -1.00 -3.40 114.38 119.95 1gj4 h ARG 73 Ca -0.49 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1gj4 h ARG 73 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1gj4 h ARG 73 CO 0.61 1.00 -0.26 0.25 -1.51 0.00 0.00 179.97 180.06 1gj4 n THR 74 N -4.61 0.00 -3.93 0.20 -2.24 -1.26 -4.99 114.28 97.45 1gj4 n THR 74 Ca -0.10 -0.37 -0.28 0.00 -2.27 0.00 0.00 64.05 61.03 1gj4 n THR 74 Cb 0.48 1.36 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 1gj4 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gj4 s ARG 75 N -2.23 3.44 -0.76 -0.78 1.81 -1.26 -5.01 118.95 114.17 1gj4 s ARG 75 Ca 0.22 -0.53 -0.18 0.00 -1.72 0.00 0.00 55.73 53.52 1gj4 s ARG 75 Cb 0.19 -2.99 0.13 0.00 -0.45 0.00 0.00 34.95 31.83 1gj4 s ARG 75 CO 0.44 0.55 0.88 -0.47 -0.68 0.00 0.00 175.30 176.02 1gj4 s TYR 76 N -1.66 3.17 -1.02 -0.53 5.04 -1.26 -4.90 117.35 116.20 1gj4 s TYR 76 Ca 0.35 -1.29 -0.24 0.00 -2.44 0.00 0.00 57.07 53.45 1gj4 s TYR 76 Cb -0.12 -4.08 -0.05 0.00 0.35 0.00 0.00 41.96 38.06 1gj4 s TYR 76 CO 0.28 -1.32 1.91 -1.21 -1.34 0.00 0.00 175.55 173.87 1gj4 s GLU 77 N 2.26 2.65 -0.02 4.97 2.02 -1.26 -4.89 118.70 124.42 1gj4 s GLU 77 Ca 0.21 -0.69 -0.35 0.00 0.02 0.00 0.00 54.97 54.16 1gj4 s GLU 77 Cb -0.14 -5.16 -0.13 0.00 0.10 0.00 0.00 34.13 28.80 1gj4 s GLU 77 CO -0.02 -3.47 1.76 -2.13 0.02 0.00 0.00 175.26 171.42 1gj4 n ARG 77 N 8.65 2.06 -0.94 1.61 0.63 -1.26 -1.65 116.66 125.76 1gj4 n ARG 77 Ca 0.42 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 58.10 1gj4 n ARG 77 Cb 0.47 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.83 1gj4 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1gj4 n ASN 78 N 5.40 -1.12 -0.00 6.15 5.03 -1.26 -4.83 115.26 124.62 1gj4 n ASN 78 Ca 0.21 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.65 1gj4 n ASN 78 Cb 0.28 -0.19 -0.00 0.00 -1.02 0.00 0.00 39.78 38.85 1gj4 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1gj4 n ILE 79 N -2.37 0.03 -3.33 2.41 5.41 -0.66 -5.06 119.36 115.80 1gj4 n ILE 79 Ca 0.00 -0.01 -0.22 0.00 1.00 0.00 0.00 62.75 63.52 1gj4 n ILE 79 Cb 0.00 -1.10 -0.00 0.00 -0.71 0.00 0.00 39.64 37.82 1gj4 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1gj4 s GLU 80 N -2.01 3.21 0.09 0.38 -1.05 -0.88 -4.68 118.70 113.76 1gj4 s GLU 80 Ca -0.01 -0.65 0.07 0.00 -0.15 0.00 0.00 54.97 54.24 1gj4 s GLU 80 Cb 0.00 -2.70 -0.03 0.00 -0.44 0.00 0.00 34.13 30.96 1gj4 s GLU 80 CO 0.01 -0.01 -0.19 0.15 0.95 0.00 0.00 175.26 176.17 1gj4 s LYS 81 N -4.33 1.04 -0.09 -4.83 3.01 0.72 -4.93 119.74 110.34 1gj4 s LYS 81 Ca 0.44 -1.11 0.03 0.00 -1.01 0.00 0.00 55.97 54.32 1gj4 s LYS 81 Cb -0.10 -1.24 0.01 0.00 -1.01 0.00 0.00 37.83 35.49 1gj4 s LYS 81 CO 0.34 0.29 -0.19 0.42 0.51 0.00 0.00 175.35 176.72 1gj4 s ILE 82 N -1.19 1.64 0.25 2.17 1.01 -1.26 -0.43 121.20 123.39 1gj4 s ILE 82 Ca 0.04 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 60.00 1gj4 s ILE 82 Cb -0.10 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 1gj4 s ILE 82 CO 0.04 0.47 -0.12 -0.44 0.00 0.00 0.00 174.94 174.88 1gj4 s SER 83 N 0.50 2.91 0.36 3.58 0.01 -0.21 -4.96 113.70 115.88 1gj4 s SER 83 Ca -0.17 -1.09 0.08 0.00 1.31 0.00 0.00 55.95 56.08 1gj4 s SER 83 Cb -0.17 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 1gj4 s SER 83 CO 0.06 -0.20 0.24 -0.04 0.41 0.00 0.00 173.24 173.72 1gj4 s MET 84 N -3.65 2.51 0.03 12.44 -1.94 -1.26 -2.13 119.30 125.30 1gj4 s MET 84 Ca 0.27 -1.49 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 1gj4 s MET 84 Cb 0.00 -2.30 -0.04 0.00 2.01 0.00 0.00 34.83 34.51 1gj4 s MET 84 CO 0.11 0.03 0.13 -0.51 -0.01 0.00 0.00 175.02 174.77 1gj4 s LEU 85 N -3.95 4.07 -0.25 -0.03 1.43 -1.26 -0.67 118.68 118.01 1gj4 s LEU 85 Ca 0.41 0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.55 1gj4 s LEU 85 Cb -0.03 -2.56 -0.11 0.00 0.03 0.00 0.00 46.19 43.53 1gj4 s LEU 85 CO 0.25 0.22 -0.33 1.21 0.23 0.00 0.00 176.35 177.93 1gj4 n GLU 86 N 0.73 0.53 -3.83 1.70 2.13 0.64 -4.61 120.64 117.94 1gj4 n GLU 86 Ca -0.10 0.23 -0.11 0.00 0.66 0.00 0.00 57.16 57.84 1gj4 n GLU 86 Cb 0.52 -1.40 -0.09 0.00 0.27 0.00 0.00 31.44 30.74 1gj4 n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1gj4 s LYS 87 N -2.49 0.63 -0.02 5.31 2.36 -1.20 -4.99 119.74 119.34 1gj4 s LYS 87 Ca -0.35 -0.44 0.07 0.00 -2.55 0.00 0.00 55.97 52.70 1gj4 s LYS 87 Cb 0.13 0.27 -0.02 0.00 -1.05 0.00 0.00 37.83 37.16 1gj4 s LYS 87 CO 0.44 -0.17 -0.23 0.42 1.55 0.00 0.00 175.35 177.36 1gj4 s ILE 88 N -1.89 1.80 -0.06 5.43 1.01 -1.26 -0.36 121.20 125.87 1gj4 s ILE 88 Ca -0.10 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.57 1gj4 s ILE 88 Cb -0.04 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1gj4 s ILE 88 CO -0.00 0.50 -0.07 -0.31 0.00 0.00 0.00 174.94 175.06 1gj4 s TYR 89 N -0.54 1.06 0.03 3.97 1.51 -0.28 -5.00 117.35 118.09 1gj4 s TYR 89 Ca 0.09 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 1gj4 s TYR 89 Cb -0.09 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1gj4 s TYR 89 CO -0.01 -0.29 0.00 0.42 -1.11 0.00 0.00 175.55 174.57 1gj4 s ILE 90 N 1.10 4.11 0.25 2.71 -1.09 -1.26 -1.25 121.20 125.77 1gj4 s ILE 90 Ca -0.07 -0.72 -0.31 0.00 -2.23 0.00 0.00 60.65 57.32 1gj4 s ILE 90 Cb -0.14 -2.87 -0.11 0.00 -1.58 0.00 0.00 42.46 37.76 1gj4 s ILE 90 CO -0.01 0.30 1.60 -2.28 -1.23 0.00 0.00 174.94 173.32 1gj4 s HIS 91 N -1.16 2.87 0.50 3.97 5.65 -1.07 -4.86 115.29 121.19 1gj4 s HIS 91 Ca 0.22 0.68 0.39 0.00 0.25 0.00 0.00 55.06 56.59 1gj4 s HIS 91 Cb -0.12 -4.03 2.12 0.00 -1.18 0.00 0.00 32.58 29.37 1gj4 s HIS 91 CO 0.13 -3.63 2.19 -1.00 -0.65 0.00 0.00 174.74 171.78 1gj4 h PRO 92 N 5.67 0.00 -0.09 2.88 0.13 -1.94 -1.98 132.00 136.66 1gj4 h PRO 92 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1gj4 h PRO 92 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1gj4 h PRO 92 CO 0.85 0.00 -0.38 0.54 -0.23 0.00 0.00 178.00 178.78 1gj4 n ARG 93 N -2.89 1.65 -1.80 0.86 1.74 -1.26 -5.00 116.66 109.95 1gj4 n ARG 93 Ca -0.03 -3.27 -0.42 0.00 -0.77 0.00 0.00 57.85 53.37 1gj4 n ARG 93 Cb 0.09 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.84 1gj4 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1gj4 s TYR 94 N -3.24 2.84 -0.51 -1.55 5.04 -0.75 -4.71 117.35 114.48 1gj4 s TYR 94 Ca 0.40 0.69 -0.03 0.00 -2.44 0.00 0.00 57.07 55.69 1gj4 s TYR 94 Cb 0.38 -4.05 0.13 0.00 0.35 0.00 0.00 41.96 38.77 1gj4 s TYR 94 CO -0.05 -3.67 0.31 1.21 -1.34 0.00 0.00 175.55 172.01 1gj4 s ASN 95 N 0.69 5.23 0.04 4.32 3.84 0.10 -4.88 114.94 124.28 1gj4 s ASN 95 Ca 0.66 -2.42 0.24 0.00 0.21 0.00 0.00 52.86 51.55 1gj4 s ASN 95 Cb -0.47 -1.84 0.29 0.00 -0.55 0.00 0.00 41.25 38.68 1gj4 s ASN 95 CO 0.42 -0.46 1.25 -2.67 -2.79 0.00 0.00 177.10 172.85 1gj4 n TRP 96 N 4.07 0.19 0.08 0.43 4.27 -1.26 -0.18 117.44 125.04 1gj4 n TRP 96 Ca 0.02 0.06 -0.09 0.00 -3.89 0.00 0.00 57.50 53.60 1gj4 n TRP 96 Cb 0.40 -0.37 0.01 0.00 -1.36 0.00 0.00 31.31 29.99 1gj4 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1gj4 h ARG 97 N 0.00 0.26 0.00 -2.67 3.08 -1.99 -3.44 114.38 109.62 1gj4 h ARG 97 Ca 0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1gj4 h ARG 97 Cb 0.62 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1gj4 h ARG 97 CO 0.00 0.94 0.00 -1.91 -1.07 0.00 0.00 179.97 177.93 1gj4 n GLU 97 N -3.74 0.00 -0.50 0.04 2.13 -1.25 -4.98 120.64 112.33 1gj4 n GLU 97 Ca -0.04 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.84 1gj4 n GLU 97 Cb 0.76 -0.10 0.12 0.00 0.27 0.00 0.00 31.44 32.50 1gj4 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1gj4 n ASN 98 N -2.33 1.57 -3.84 4.31 6.94 -1.25 -4.98 115.26 115.69 1gj4 n ASN 98 Ca 0.00 -3.02 -0.26 0.00 -0.02 0.00 0.00 54.58 51.28 1gj4 n ASN 98 Cb 0.00 -0.41 0.02 0.00 -2.36 0.00 0.00 39.78 37.04 1gj4 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1gj4 n LEU 99 N -0.83 -2.73 -4.76 -4.53 4.77 0.74 -4.90 117.00 104.77 1gj4 n LEU 99 Ca 0.13 -0.84 -0.40 0.00 -0.03 0.00 0.00 56.01 54.87 1gj4 n LEU 99 Cb 0.74 -2.54 -0.06 0.00 -2.33 0.00 0.00 43.42 39.23 1gj4 n LEU 99 CO -0.01 0.43 0.52 -0.62 -1.33 0.00 0.00 177.39 176.38 1gj4 s ASP 100 N -3.93 7.39 -0.93 -1.43 2.15 -1.17 -3.73 116.67 115.02 1gj4 s ASP 100 Ca 0.28 1.65 -0.03 0.00 0.43 0.00 0.00 52.55 54.88 1gj4 s ASP 100 Cb -0.14 -2.52 -0.03 0.00 -0.30 0.00 0.00 42.92 39.93 1gj4 s ASP 100 CO 0.83 0.11 0.80 0.54 -0.17 0.00 0.00 175.17 177.29 1gj4 n ARG 101 N 2.07 -3.65 -2.67 4.34 1.74 -1.26 0.01 116.66 117.24 1gj4 n ARG 101 Ca -0.03 0.71 -0.43 0.00 -0.77 0.00 0.00 57.85 57.33 1gj4 n ARG 101 Cb 0.49 -5.20 -0.00 0.00 -1.02 0.00 0.00 32.46 26.73 1gj4 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1gj4 s ASP 102 N -3.72 6.87 0.03 0.55 2.15 -1.24 -4.31 116.67 116.99 1gj4 s ASP 102 Ca 0.19 -2.50 -0.16 0.00 0.43 0.00 0.00 52.55 50.52 1gj4 s ASP 102 Cb -0.03 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.09 1gj4 s ASP 102 CO 0.61 -1.10 0.36 -0.51 -0.17 0.00 0.00 175.17 174.36 1gj4 s ILE 103 N 3.67 0.06 -0.09 4.11 2.07 -1.26 -3.92 121.20 125.85 1gj4 s ILE 103 Ca 0.51 -0.53 -0.31 0.00 -1.41 0.00 0.00 60.65 58.91 1gj4 s ILE 103 Cb 0.02 -0.87 0.09 0.00 0.13 0.00 0.00 42.46 41.83 1gj4 s ILE 103 CO 0.05 -0.29 0.79 0.00 -1.91 0.00 0.00 174.94 173.57 1gj4 s ALA 104 N -2.18 -1.83 0.14 1.50 0.00 -1.00 -2.60 121.76 115.79 1gj4 s ALA 104 Ca -0.07 1.41 0.08 0.00 0.00 0.00 0.00 51.96 53.38 1gj4 s ALA 104 Cb -0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1gj4 s ALA 104 CO -0.01 -0.35 -0.12 -0.51 0.00 0.00 0.00 175.76 174.77 1gj4 s LEU 105 N -1.16 2.91 -0.01 0.00 1.43 -0.38 -0.49 118.68 120.97 1gj4 s LEU 105 Ca -0.08 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1gj4 s LEU 105 Cb -0.00 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 1gj4 s LEU 105 CO 0.07 0.15 -0.08 -0.04 0.23 0.00 0.00 176.35 176.68 1gj4 s MET 106 N -2.43 0.70 -0.17 1.70 -1.94 0.53 -1.13 119.30 116.55 1gj4 s MET 106 Ca 0.22 -0.28 -0.07 0.00 -1.71 0.00 0.00 55.69 53.85 1gj4 s MET 106 Cb -0.10 -0.67 -0.04 0.00 2.01 0.00 0.00 34.83 36.03 1gj4 s MET 106 CO 0.13 0.16 0.05 0.21 -0.01 0.00 0.00 175.02 175.56 1gj4 s LYS 107 N -0.10 3.84 0.30 2.03 2.20 0.52 -1.28 119.74 127.25 1gj4 s LYS 107 Ca 0.02 -0.35 -0.15 0.00 -0.36 0.00 0.00 55.97 55.13 1gj4 s LYS 107 Cb -0.04 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 1gj4 s LYS 107 CO -0.00 0.34 0.70 -0.51 -0.36 0.00 0.00 175.35 175.52 1gj4 s LEU 108 N 0.18 4.11 0.10 5.43 1.43 -0.00 -0.26 118.68 129.67 1gj4 s LEU 108 Ca 0.04 1.23 -0.32 0.00 -1.03 0.00 0.00 54.13 54.05 1gj4 s LEU 108 Cb -0.12 -3.96 -0.13 0.00 0.03 0.00 0.00 46.19 42.01 1gj4 s LEU 108 CO 0.01 -0.16 1.59 0.50 0.23 0.00 0.00 176.35 178.52 1gj4 h LYS 109 N 2.43 -0.73 -6.13 1.70 1.63 -1.15 -3.41 116.57 110.90 1gj4 h LYS 109 Ca -0.48 0.05 -0.56 0.00 -0.85 0.00 0.00 60.65 58.82 1gj4 h LYS 109 Cb 1.18 0.17 -0.20 0.00 -0.60 0.00 0.00 32.23 32.78 1gj4 h LYS 109 CO 0.66 -0.49 -0.81 0.15 -3.45 0.00 0.00 179.45 175.51 1gj4 s LYS 110 N -5.94 1.25 0.63 1.90 1.02 -1.26 -4.94 119.74 112.39 1gj4 s LYS 110 Ca -0.17 -1.32 -0.17 0.00 0.02 0.00 0.00 55.97 54.32 1gj4 s LYS 110 Cb 0.06 -1.43 -0.01 0.00 -0.52 0.00 0.00 37.83 35.93 1gj4 s LYS 110 CO 0.63 0.31 1.19 -2.14 -0.92 0.00 0.00 175.35 174.42 1gj4 s PRO 111 N -2.42 2.76 0.27 -1.68 0.02 -1.26 -4.91 135.00 127.78 1gj4 s PRO 111 Ca 0.13 1.75 0.06 0.00 0.02 0.00 0.00 61.00 62.96 1gj4 s PRO 111 Cb -0.08 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 1gj4 s PRO 111 CO 0.06 -1.36 0.32 0.54 -0.33 0.00 0.00 177.00 176.23 1gj4 s VAL 112 N -1.78 4.55 0.01 3.83 0.11 -0.66 -5.02 120.40 121.43 1gj4 s VAL 112 Ca 0.75 -1.18 -0.02 0.00 -2.93 0.00 0.00 61.98 58.61 1gj4 s VAL 112 Cb -0.29 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 1gj4 s VAL 112 CO 0.37 -0.28 0.16 0.00 -3.33 0.00 0.00 175.10 172.01 1gj4 s ALA 113 N -2.11 3.87 0.61 1.54 0.00 -1.26 -4.85 121.76 119.56 1gj4 s ALA 113 Ca 0.37 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1gj4 s ALA 113 Cb -0.08 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.28 1gj4 s ALA 113 CO 0.28 0.75 0.89 -0.06 0.00 0.00 0.00 175.76 177.62 1gj4 s PHE 114 N -1.32 3.02 0.00 0.00 0.08 -1.26 -4.89 117.98 113.60 1gj4 s PHE 114 Ca 0.27 0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.69 1gj4 s PHE 114 Cb -0.13 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.44 1gj4 s PHE 114 CO 0.19 -1.02 0.00 -1.13 -0.10 0.00 0.00 175.22 173.16 1gj4 n SER 115 N -2.61 0.00 0.16 1.36 3.41 -0.23 -4.89 113.62 110.82 1gj4 n SER 115 Ca 0.06 -0.75 0.13 0.00 -0.26 0.00 0.00 58.87 58.05 1gj4 n SER 115 Cb 0.59 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.06 1gj4 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1gj4 h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.99 -3.14 116.42 118.65 1gj4 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1gj4 h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1gj4 h ASP 116 CO 0.00 0.00 -1.35 -1.22 -1.72 0.00 0.00 179.24 174.95 1gj4 n TYR 117 N -2.47 0.00 -4.01 4.55 4.01 -1.26 -4.74 117.16 113.23 1gj4 n TYR 117 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 1gj4 n TYR 117 Cb 0.28 -0.22 -0.16 0.00 -0.31 0.00 0.00 39.34 38.93 1gj4 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1gj4 s ILE 118 N -2.94 1.58 -0.23 -0.72 1.01 -1.19 -4.37 121.20 114.33 1gj4 s ILE 118 Ca -0.01 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.77 1gj4 s ILE 118 Cb 0.12 -1.52 0.07 0.00 0.01 0.00 0.00 42.46 41.14 1gj4 s ILE 118 CO 0.72 0.40 0.60 -2.28 0.00 0.00 0.00 174.94 174.37 1gj4 s HIS 119 N 1.47 -0.80 0.77 3.97 2.46 -1.10 -1.07 115.29 120.99 1gj4 s HIS 119 Ca 0.04 1.74 -0.11 0.00 0.47 0.00 0.00 55.06 57.20 1gj4 s HIS 119 Cb -0.13 0.39 0.05 0.00 -0.13 0.00 0.00 32.58 32.75 1gj4 s HIS 119 CO -0.10 -0.40 1.08 -1.25 -2.47 0.00 0.00 174.74 171.60 1gj4 s PRO 120 N 1.02 2.33 0.36 2.88 0.04 -1.26 -3.12 135.00 137.25 1gj4 s PRO 120 Ca -0.06 0.76 0.07 0.00 0.04 0.00 0.00 61.00 61.82 1gj4 s PRO 120 Cb -0.05 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1gj4 s PRO 120 CO -0.10 -1.48 0.46 0.54 0.04 0.00 0.00 177.00 176.47 1gj4 s VAL 121 N -3.11 3.60 0.07 -0.36 0.11 -0.62 -4.91 120.40 115.19 1gj4 s VAL 121 Ca 0.60 -1.08 -0.08 0.00 -2.93 0.00 0.00 61.98 58.49 1gj4 s VAL 121 Cb -0.14 -3.24 -0.05 0.00 -1.53 0.00 0.00 36.38 31.41 1gj4 s VAL 121 CO 0.55 -0.11 0.37 0.00 -3.33 0.00 0.00 175.10 172.57 1gj4 s LEU 123 N -2.02 4.36 0.72 0.00 1.43 -1.26 -1.08 118.68 120.83 1gj4 s LEU 123 Ca 0.33 0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 53.84 1gj4 s LEU 123 Cb -0.13 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.36 1gj4 s LEU 123 CO 0.19 0.22 1.09 -2.16 0.23 0.00 0.00 176.35 175.92 1gj4 s PRO 124 N -1.95 2.48 0.09 1.29 0.04 -1.26 -4.91 135.00 130.79 1gj4 s PRO 124 Ca 0.30 0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.62 1gj4 s PRO 124 Cb -0.13 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1gj4 s PRO 124 CO 0.18 -1.20 -0.24 0.16 0.04 0.00 0.00 177.00 175.94 1gj4 s ASP 125 N -4.45 2.90 0.16 6.66 1.47 -1.26 -4.91 116.67 117.24 1gj4 s ASP 125 Ca 0.59 -0.67 0.03 0.00 1.18 0.00 0.00 52.55 53.68 1gj4 s ASP 125 Cb -0.11 -0.20 0.45 0.00 -0.34 0.00 0.00 42.92 42.72 1gj4 s ASP 125 CO 0.49 0.15 0.77 -1.14 0.68 0.00 0.00 175.17 176.11 1gj4 n ARG 126 N 1.24 -0.04 -0.05 2.11 0.63 -1.26 0.60 116.66 119.89 1gj4 n ARG 126 Ca -0.18 0.72 -0.13 0.00 -0.92 0.00 0.00 57.85 57.33 1gj4 n ARG 126 Cb 0.53 -1.18 -0.07 0.00 0.45 0.00 0.00 32.46 32.19 1gj4 n ARG 126 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1gj4 h GLU 127 N 0.00 0.35 -1.77 -0.14 3.07 -2.04 -1.10 114.58 112.95 1gj4 h GLU 127 Ca 0.33 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1gj4 h GLU 127 Cb 0.74 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1gj4 h GLU 127 CO -0.44 0.75 0.00 2.41 -1.40 0.00 0.00 179.01 180.33 1gj4 n THR 128 N -4.55 0.40 0.00 1.13 -1.04 0.20 -1.27 114.28 109.16 1gj4 n THR 128 Ca -0.06 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1gj4 n THR 128 Cb 0.37 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 1gj4 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gj4 n ALA 129 N 1.12 0.00 0.03 2.41 0.00 -0.42 -1.62 120.51 122.03 1gj4 n ALA 129 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1gj4 n ALA 129 Cb 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.49 1gj4 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gj4 h SER 129 N 0.00 0.00 0.13 0.00 4.64 -1.45 -3.40 113.55 113.47 1gj4 h SER 129 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1gj4 h SER 129 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1gj4 h SER 129 CO 0.00 0.94 -2.19 0.18 -0.87 0.00 0.00 176.83 174.89 1gj4 n LEU 129 N -3.20 1.78 -4.30 5.97 4.77 -0.64 -4.65 117.00 116.73 1gj4 n LEU 129 Ca -0.07 0.09 -0.36 0.00 -0.03 0.00 0.00 56.01 55.64 1gj4 n LEU 129 Cb 0.96 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1gj4 n LEU 129 CO 0.46 0.71 1.82 0.18 -1.33 0.00 0.00 177.39 179.23 1gj4 n LEU 130 N -3.15 3.95 -4.20 2.23 4.77 -1.26 -4.85 117.00 114.48 1gj4 n LEU 130 Ca -0.34 -3.33 -0.24 0.00 -0.03 0.00 0.00 56.01 52.08 1gj4 n LEU 130 Cb 1.06 -1.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.41 1gj4 n LEU 130 CO 0.38 -0.89 -0.50 -1.10 -1.33 0.00 0.00 177.39 173.95 1gj4 s GLN 131 N 5.45 1.25 0.28 3.23 -0.21 -1.26 -4.97 119.66 123.43 1gj4 s GLN 131 Ca 0.61 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.87 1gj4 s GLN 131 Cb 0.05 -1.30 -0.11 0.00 1.00 0.00 0.00 33.01 32.64 1gj4 s GLN 131 CO 0.11 0.33 1.62 0.00 -2.12 0.00 0.00 175.29 175.23 1gj4 s ALA 132 N -0.74 3.78 0.00 6.09 0.00 -1.26 -2.11 121.76 127.51 1gj4 s ALA 132 Ca 0.06 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1gj4 s ALA 132 Cb -0.08 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1gj4 s ALA 132 CO 0.01 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1gj4 n GLY 133 N 2.44 3.08 3.76 0.00 0.00 0.21 -4.92 105.19 109.76 1gj4 n GLY 133 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1gj4 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gj4 s TYR 134 N -2.84 3.92 0.20 1.61 1.51 -0.90 -4.68 117.35 116.17 1gj4 s TYR 134 Ca 0.00 1.86 0.03 0.00 -1.01 0.00 0.00 57.07 57.95 1gj4 s TYR 134 Cb 0.00 -2.94 -0.03 0.00 -0.11 0.00 0.00 41.96 38.87 1gj4 s TYR 134 CO 0.00 0.42 0.34 0.15 -1.11 0.00 0.00 175.55 175.34 1gj4 s LYS 135 N -1.35 3.45 0.32 -0.62 1.02 -1.26 -0.78 119.74 120.52 1gj4 s LYS 135 Ca 0.42 -0.61 0.03 0.00 0.02 0.00 0.00 55.97 55.83 1gj4 s LYS 135 Cb -0.24 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 1gj4 s LYS 135 CO 0.30 0.46 0.16 0.20 -0.92 0.00 0.00 175.35 175.54 1gj4 s GLY 136 N -3.53 2.12 0.02 -3.33 0.00 -0.40 -4.86 107.32 97.36 1gj4 s GLY 136 Ca 0.35 -1.73 0.05 0.00 0.00 0.00 0.00 44.72 43.39 1gj4 s GLY 136 CO 0.29 -1.61 -0.16 -1.60 0.00 0.00 0.00 173.10 170.03 1gj4 s ARG 137 N -3.79 1.11 0.04 2.90 3.52 -0.56 -1.18 118.95 120.99 1gj4 s ARG 137 Ca 0.35 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 55.30 1gj4 s ARG 137 Cb 0.05 -1.12 -0.02 0.00 -1.56 0.00 0.00 34.95 32.29 1gj4 s ARG 137 CO 0.18 0.29 -0.20 0.08 -0.81 0.00 0.00 175.30 174.83 1gj4 s VAL 138 N -0.68 1.64 0.09 7.11 1.01 -0.58 -1.19 120.40 127.80 1gj4 s VAL 138 Ca 0.04 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1gj4 s VAL 138 Cb -0.07 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1gj4 s VAL 138 CO 0.01 0.21 -0.07 0.42 0.00 0.00 0.00 175.10 175.67 1gj4 s THR 139 N -0.79 0.67 0.00 3.92 -4.23 -1.24 -2.85 115.64 111.12 1gj4 s THR 139 Ca 0.07 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1gj4 s THR 139 Cb -0.09 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1gj4 s THR 139 CO 0.02 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 173.94 1gj4 n GLY 140 N 0.26 0.88 0.84 3.99 0.00 -1.15 -4.59 105.19 105.41 1gj4 n GLY 140 Ca -0.14 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 44.96 1gj4 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gj4 n TRP 141 N -0.41 0.78 -1.40 1.61 8.01 -1.26 -2.09 117.44 122.69 1gj4 n TRP 141 Ca 0.00 -1.21 -0.30 0.00 -1.31 0.00 0.00 57.50 54.68 1gj4 n TRP 141 Cb 0.00 -0.35 0.24 0.00 -2.01 0.00 0.00 31.31 29.19 1gj4 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1gj4 n GLY 142 N -0.94 -2.29 3.58 6.99 0.00 -1.26 -4.54 105.19 106.74 1gj4 n GLY 142 Ca 0.25 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 1gj4 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gj4 n ASN 143 N -4.50 0.06 0.01 1.61 3.02 0.61 -3.65 115.26 112.42 1gj4 n ASN 143 Ca 0.16 0.63 0.11 0.00 -0.03 0.00 0.00 54.58 55.45 1gj4 n ASN 143 Cb 0.59 -1.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.36 1gj4 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gj4 n LEU 144 N -1.53 0.66 -4.14 3.41 4.77 0.67 0.36 117.00 121.20 1gj4 n LEU 144 Ca 0.12 -0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 1gj4 n LEU 144 Cb 0.50 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1gj4 n LEU 144 CO 0.49 0.12 -0.08 -0.54 -1.33 0.00 0.00 177.39 176.05 1gj4 s LYS 145 N -3.15 1.40 0.09 3.23 1.02 -1.26 -4.47 119.74 116.60 1gj4 s LYS 145 Ca 0.04 -1.56 -0.14 0.00 0.02 0.00 0.00 55.97 54.33 1gj4 s LYS 145 Cb 0.15 0.35 -0.15 0.00 -0.52 0.00 0.00 37.83 37.66 1gj4 s LYS 145 CO 0.83 -0.52 1.31 1.49 -0.92 0.00 0.00 175.35 177.54 1gj4 h GLU 146 N 2.43 0.71 -1.58 1.68 4.81 -1.93 -3.47 114.58 117.23 1gj4 h GLU 146 Ca -0.32 -0.54 -0.20 0.00 -0.13 0.00 0.00 59.36 58.18 1gj4 h GLU 146 Cb 1.25 0.10 -0.27 0.00 0.63 0.00 0.00 28.75 30.46 1gj4 h GLU 146 CO 0.45 1.15 -0.55 0.99 -0.73 0.00 0.00 179.01 180.33 1gj4 s THR 147 N -3.85 -0.64 0.00 0.32 2.01 -1.26 -4.97 115.64 107.24 1gj4 s THR 147 Ca -0.11 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1gj4 s THR 147 Cb 0.08 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1gj4 s THR 147 CO 0.87 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 1gj4 n GLY 150 N 4.83 0.92 3.15 4.40 0.00 -1.26 -5.15 105.19 112.08 1gj4 n GLY 150 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1gj4 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gj4 s GLN 151 N 0.00 0.80 0.45 1.61 -0.21 -1.26 -0.24 119.66 120.82 1gj4 s GLN 151 Ca 0.00 -0.89 0.02 0.00 0.02 0.00 0.00 55.36 54.51 1gj4 s GLN 151 Cb 0.00 -0.79 0.01 0.00 1.00 0.00 0.00 33.01 33.23 1gj4 s GLN 151 CO 0.00 0.18 0.65 -1.25 -2.12 0.00 0.00 175.29 172.75 1gj4 s PRO 152 N -1.60 2.93 -0.06 2.91 0.04 -1.26 -4.90 135.00 133.06 1gj4 s PRO 152 Ca -0.02 -0.71 0.21 0.00 0.04 0.00 0.00 61.00 60.52 1gj4 s PRO 152 Cb -0.10 -2.60 -0.30 0.00 0.04 0.00 0.00 34.50 31.54 1gj4 s PRO 152 CO 0.02 -0.32 0.41 -1.13 0.04 0.00 0.00 177.00 176.02 1gj4 n SER 153 N -2.05 0.05 -4.42 6.66 3.41 -1.26 -4.67 113.62 111.34 1gj4 n SER 153 Ca 0.03 0.02 -0.21 0.00 -0.26 0.00 0.00 58.87 58.45 1gj4 n SER 153 Cb 0.58 1.65 -0.10 0.00 -0.26 0.00 0.00 64.21 66.08 1gj4 n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1gj4 s VAL 154 N -3.25 1.79 0.39 -3.33 1.01 -1.26 -0.40 120.40 115.36 1gj4 s VAL 154 Ca -0.08 -2.18 -0.28 0.00 0.00 0.00 0.00 61.98 59.44 1gj4 s VAL 154 Cb 0.12 -2.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.04 1gj4 s VAL 154 CO 0.88 -0.37 1.48 -0.11 0.00 0.00 0.00 175.10 176.98 1gj4 n LEU 155 N -0.56 4.85 -4.66 3.92 7.94 0.54 -4.84 117.00 124.19 1gj4 n LEU 155 Ca -0.06 1.21 -0.28 0.00 -1.11 0.00 0.00 56.01 55.78 1gj4 n LEU 155 Cb 0.62 -1.62 -0.08 0.00 0.53 0.00 0.00 43.42 42.87 1gj4 n LEU 155 CO 0.39 0.12 -0.34 -1.10 -1.11 0.00 0.00 177.39 175.34 1gj4 s GLN 156 N -2.16 2.41 0.03 1.96 -1.52 -0.89 -0.44 119.66 119.05 1gj4 s GLN 156 Ca 0.54 -1.04 0.01 0.00 -1.95 0.00 0.00 55.36 52.93 1gj4 s GLN 156 Cb -0.47 -2.40 -0.02 0.00 -0.22 0.00 0.00 33.01 29.90 1gj4 s GLN 156 CO 0.63 0.48 -0.06 0.54 -0.25 0.00 0.00 175.29 176.63 1gj4 s VAL 157 N -1.58 0.39 -0.10 1.09 0.11 0.66 -2.93 120.40 118.04 1gj4 s VAL 157 Ca 0.26 -0.92 -0.18 0.00 -2.93 0.00 0.00 61.98 58.21 1gj4 s VAL 157 Cb -0.10 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1gj4 s VAL 157 CO 0.18 -0.36 0.44 0.54 -3.33 0.00 0.00 175.10 172.57 1gj4 s VAL 158 N -1.25 0.02 -0.17 2.04 0.11 -1.13 -0.95 120.40 119.07 1gj4 s VAL 158 Ca -0.10 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1gj4 s VAL 158 Cb -0.09 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1gj4 s VAL 158 CO -0.00 -0.09 -0.05 0.20 -3.33 0.00 0.00 175.10 171.83 1gj4 s ASN 159 N -0.53 4.56 0.02 3.54 0.01 -1.26 -1.53 114.94 119.75 1gj4 s ASN 159 Ca -0.06 -0.23 0.07 0.00 -0.71 0.00 0.00 52.86 51.92 1gj4 s ASN 159 Cb -0.03 -1.75 -0.02 0.00 0.41 0.00 0.00 41.25 39.85 1gj4 s ASN 159 CO 0.03 0.11 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.77 1gj4 s LEU 160 N 0.71 2.12 0.39 0.60 1.43 -0.32 -4.91 118.68 118.70 1gj4 s LEU 160 Ca -0.02 -0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 1gj4 s LEU 160 Cb -0.15 -1.00 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 1gj4 s LEU 160 CO 0.02 0.19 1.08 -2.16 0.23 0.00 0.00 176.35 175.71 1gj4 s PRO 161 N -0.91 4.16 0.33 1.29 0.04 -1.26 -1.27 135.00 137.38 1gj4 s PRO 161 Ca 0.08 1.60 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 1gj4 s PRO 161 Cb -0.08 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 1gj4 s PRO 161 CO 0.01 -0.17 0.99 0.42 0.04 0.00 0.00 177.00 178.29 1gj4 s ILE 162 N -1.57 3.96 0.22 0.56 1.01 0.04 -0.52 121.20 124.89 1gj4 s ILE 162 Ca 0.57 1.67 0.07 0.00 0.00 0.00 0.00 60.65 62.96 1gj4 s ILE 162 Cb -0.25 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1gj4 s ILE 162 CO 0.31 0.17 0.14 -0.69 0.00 0.00 0.00 174.94 174.87 1gj4 s VAL 163 N -1.52 4.29 0.27 2.92 1.01 -0.86 -0.62 120.40 125.90 1gj4 s VAL 163 Ca 0.50 -1.36 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 1gj4 s VAL 163 Cb -0.22 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1gj4 s VAL 163 CO 0.28 -0.26 1.17 -1.61 0.00 0.00 0.00 175.10 174.68 1gj4 s GLU 164 N -3.52 4.55 0.23 2.72 8.01 -1.26 -4.64 118.70 124.78 1gj4 s GLU 164 Ca 0.32 1.91 -0.10 0.00 0.01 0.00 0.00 54.97 57.10 1gj4 s GLU 164 Cb -0.08 -3.18 0.33 0.00 -4.31 0.00 0.00 34.13 26.89 1gj4 s GLU 164 CO 0.23 0.06 1.63 0.00 0.01 0.00 0.00 175.26 177.19 1gj4 h ARG 165 N 4.06 0.05 -0.77 1.61 3.08 -1.98 -2.22 114.38 118.21 1gj4 h ARG 165 Ca -0.47 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.73 1gj4 h ARG 165 Cb 1.21 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1gj4 h ARG 165 CO 0.68 0.04 0.52 -1.35 -1.07 0.00 0.00 179.97 178.79 1gj4 h PRO 166 N 0.06 0.42 -0.22 0.04 0.11 -1.99 0.11 132.00 130.53 1gj4 h PRO 166 Ca 0.36 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.34 1gj4 h PRO 166 Cb 0.59 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1gj4 h PRO 166 CO -0.66 0.28 -0.26 0.28 -0.21 0.00 0.00 178.00 177.43 1gj4 h VAL 167 N 0.44 1.32 -0.17 3.15 2.07 -1.80 -0.17 116.25 121.09 1gj4 h VAL 167 Ca 0.38 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.49 1gj4 h VAL 167 Cb 0.86 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1gj4 h VAL 167 CO -0.13 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 177.86 1gj4 h LYS 169 N -0.01 0.52 0.00 0.00 1.57 -0.82 -2.67 116.57 115.16 1gj4 h LYS 169 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1gj4 h LYS 169 Cb 0.14 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1gj4 h LYS 169 CO -0.18 0.39 0.00 -0.25 -0.57 0.00 0.00 179.45 178.84 1gj4 n ASP 170 N -4.78 0.00 -0.00 0.86 8.00 -0.09 -2.59 116.55 117.95 1gj4 n ASP 170 Ca -0.00 -1.01 0.08 0.00 0.71 0.00 0.00 54.79 54.57 1gj4 n ASP 170 Cb 0.05 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 1gj4 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1gj4 n SER 171 N -0.67 0.97 -4.23 -2.24 3.41 -0.93 -5.00 113.62 104.91 1gj4 n SER 171 Ca 0.05 -0.40 -0.15 0.00 -0.26 0.00 0.00 58.87 58.11 1gj4 n SER 171 Cb 0.02 1.42 -0.10 0.00 -0.26 0.00 0.00 64.21 65.29 1gj4 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1gj4 s THR 172 N -2.89 0.29 -2.14 6.66 -1.32 -1.07 -4.89 115.64 110.28 1gj4 s THR 172 Ca -0.01 -2.00 0.18 0.00 -1.21 0.00 0.00 61.69 58.66 1gj4 s THR 172 Cb 0.12 -2.57 0.24 0.00 -1.51 0.00 0.00 72.50 68.78 1gj4 s THR 172 CO 0.69 0.00 1.18 0.54 -2.21 0.00 0.00 174.62 174.82 1gj4 n ARG 173 N -0.39 1.89 -3.28 7.08 1.74 -1.26 -4.91 116.66 117.53 1gj4 n ARG 173 Ca 0.01 -1.82 -0.32 0.00 -0.77 0.00 0.00 57.85 54.96 1gj4 n ARG 173 Cb 0.66 -1.38 -0.05 0.00 -1.02 0.00 0.00 32.46 30.66 1gj4 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1gj4 s ILE 174 N -1.42 4.84 -0.17 0.55 1.01 -1.26 -5.00 121.20 119.75 1gj4 s ILE 174 Ca 0.26 0.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.24 1gj4 s ILE 174 Cb 0.17 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 1gj4 s ILE 174 CO 0.24 -0.15 1.07 -0.60 0.00 0.00 0.00 174.94 175.50 1gj4 s ARG 175 N -2.98 4.31 0.15 2.79 3.52 -1.26 -5.01 118.95 120.47 1gj4 s ARG 175 Ca 0.50 1.43 -0.18 0.00 -0.13 0.00 0.00 55.73 57.36 1gj4 s ARG 175 Cb -0.11 -3.62 -0.07 0.00 -1.56 0.00 0.00 34.95 29.59 1gj4 s ARG 175 CO 0.21 -0.54 0.62 0.42 -0.81 0.00 0.00 175.30 175.20 1gj4 s ILE 176 N 2.83 4.72 0.52 4.11 -1.09 -1.26 -4.85 121.20 126.18 1gj4 s ILE 176 Ca 0.48 1.11 0.01 0.00 -2.23 0.00 0.00 60.65 60.01 1gj4 s ILE 176 Cb -0.18 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.88 1gj4 s ILE 176 CO 0.12 0.33 0.05 0.35 -1.23 0.00 0.00 174.94 174.55 1gj4 n THR 177 N 1.05 0.00 1.77 2.92 -2.24 -1.26 -4.99 114.28 111.53 1gj4 n THR 177 Ca -0.06 -2.42 0.15 0.00 -2.27 0.00 0.00 64.05 59.44 1gj4 n THR 177 Cb 0.51 0.43 0.85 0.00 -2.10 0.00 0.00 70.33 70.03 1gj4 n THR 177 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gj4 n ASP 178 N -1.37 0.00 -0.89 3.42 8.00 -1.26 -3.05 116.55 121.41 1gj4 n ASP 178 Ca -0.19 -0.81 0.07 0.00 0.71 0.00 0.00 54.79 54.57 1gj4 n ASP 178 Cb 0.65 -0.04 0.21 0.00 -0.02 0.00 0.00 41.12 41.92 1gj4 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1gj4 n ASN 179 N -1.04 2.56 -4.28 -2.24 3.02 -1.26 -4.87 115.26 107.15 1gj4 n ASN 179 Ca 0.21 -2.05 -0.15 0.00 -0.03 0.00 0.00 54.58 52.56 1gj4 n ASN 179 Cb 0.12 -0.33 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 1gj4 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1gj4 s MET 180 N -1.45 1.17 0.14 3.52 -1.94 -1.17 -0.25 119.30 119.32 1gj4 s MET 180 Ca 0.31 -1.54 -0.05 0.00 -1.71 0.00 0.00 55.69 52.70 1gj4 s MET 180 Cb 0.17 -0.61 -0.02 0.00 2.01 0.00 0.00 34.83 36.37 1gj4 s MET 180 CO 0.20 0.01 0.17 -0.59 -0.01 0.00 0.00 175.02 174.79 1gj4 s PHE 181 N -3.37 0.60 0.17 -0.03 -0.12 -1.07 -4.83 117.98 109.33 1gj4 s PHE 181 Ca 0.21 -0.97 0.06 0.00 -0.05 0.00 0.00 56.93 56.18 1gj4 s PHE 181 Cb 0.04 -0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 1gj4 s PHE 181 CO 0.04 -0.61 -0.12 0.00 -0.05 0.00 0.00 175.22 174.48 1gj4 s ALA 183 N -3.09 -0.44 0.00 0.00 0.00 -0.01 -2.02 121.76 116.20 1gj4 s ALA 183 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1gj4 s ALA 183 Cb 0.01 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1gj4 s ALA 183 CO 0.03 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1gj4 n GLY 184 N 0.48 3.22 3.87 0.00 0.00 0.32 -2.49 105.19 110.60 1gj4 n GLY 184 Ca -0.18 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1gj4 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gj4 s TYR 184 N -2.00 3.42 0.49 1.61 2.02 -1.26 -4.55 117.35 117.09 1gj4 s TYR 184 Ca 0.00 1.02 -0.18 0.00 -0.37 0.00 0.00 57.07 57.54 1gj4 s TYR 184 Cb 0.00 -2.39 -0.08 0.00 -0.40 0.00 0.00 41.96 39.08 1gj4 s TYR 184 CO 0.00 0.09 0.99 0.15 -1.57 0.00 0.00 175.55 175.20 1gj4 s LYS 185 N -3.25 3.95 0.40 -0.62 -0.14 -1.26 -4.82 119.74 114.00 1gj4 s LYS 185 Ca 0.51 1.07 0.17 0.00 -1.36 0.00 0.00 55.97 56.36 1gj4 s LYS 185 Cb -0.11 -2.13 1.07 0.00 -1.68 0.00 0.00 37.83 34.98 1gj4 s LYS 185 CO 0.24 -0.27 1.81 -1.35 -0.76 0.00 0.00 175.35 175.02 1gj4 h PRO 186 N 1.23 0.42 0.00 -1.68 0.11 -1.95 0.16 132.00 130.29 1gj4 h PRO 186 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1gj4 h PRO 186 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1gj4 h PRO 186 CO 0.61 0.28 -0.23 0.22 -0.21 0.00 0.00 178.00 178.66 1gj4 h ASP 186 N 0.43 0.00 0.00 -2.05 1.82 -1.96 -3.21 116.42 111.46 1gj4 h ASP 186 Ca 0.53 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.17 1gj4 h ASP 186 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1gj4 h ASP 186 CO -0.24 0.23 0.00 -0.62 -1.61 0.00 0.00 179.24 177.00 1gj4 n GLU 186 N -3.97 0.97 -3.89 0.28 1.02 0.57 -4.92 120.64 110.71 1gj4 n GLU 186 Ca -0.02 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.88 1gj4 n GLU 186 Cb 0.31 -1.13 -0.07 0.00 -0.02 0.00 0.00 31.44 30.53 1gj4 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gj4 n GLY 186 N 0.59 -0.12 3.31 0.62 0.00 -1.21 -4.91 105.19 103.46 1gj4 n GLY 186 Ca 0.06 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1gj4 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gj4 s LYS 186 N -6.36 0.67 0.00 1.61 1.02 -1.26 -5.18 119.74 110.24 1gj4 s LYS 186 Ca 0.02 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1gj4 s LYS 186 Cb -0.01 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 1gj4 s LYS 186 CO 0.76 -0.16 0.00 0.54 -0.92 0.00 0.00 175.35 175.56 1gj4 n ARG 187 N 1.74 0.63 0.00 1.68 5.12 -1.26 -4.71 116.66 119.86 1gj4 n ARG 187 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1gj4 n ARG 187 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 1gj4 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gj4 n GLY 188 N 1.17 4.28 0.00 -0.13 0.00 -1.26 -4.92 105.19 104.33 1gj4 n GLY 188 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1gj4 n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gj4 n ASP 189 N 0.00 0.00 -4.62 1.61 2.03 -0.97 -4.75 116.55 109.85 1gj4 n ASP 189 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 1gj4 n ASP 189 Cb 0.00 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 1gj4 n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gj4 s ALA 190 N -2.00 3.49 0.15 -1.67 0.00 -1.26 -0.55 121.76 119.92 1gj4 s ALA 190 Ca 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.29 1gj4 s ALA 190 Cb 0.00 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 21.01 1gj4 s ALA 190 CO 0.00 -1.57 0.30 0.00 0.00 0.00 0.00 175.76 174.49 1gj4 n GLU 192 N -0.21 1.48 0.00 0.00 2.13 -1.26 -1.55 120.64 121.22 1gj4 n GLU 192 Ca -0.03 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1gj4 n GLU 192 Cb 0.23 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1gj4 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gj4 n GLY 193 N 2.51 3.24 0.08 8.31 0.00 -1.26 -0.28 105.19 117.79 1gj4 n GLY 193 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1gj4 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gj4 n ASP 194 N 0.00 0.68 -4.25 1.61 8.00 -0.60 -4.05 116.55 117.94 1gj4 n ASP 194 Ca 0.00 0.15 -0.38 0.00 0.71 0.00 0.00 54.79 55.27 1gj4 n ASP 194 Cb 0.00 0.66 0.02 0.00 -0.02 0.00 0.00 41.12 41.78 1gj4 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1gj4 n SER 195 N -2.40 -3.59 0.00 -2.24 7.64 -1.26 -1.99 113.62 109.78 1gj4 n SER 195 Ca 0.00 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1gj4 n SER 195 Cb 0.51 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1gj4 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gj4 n GLY 196 N 2.52 2.73 3.84 0.23 0.00 -0.83 -0.47 105.19 113.22 1gj4 n GLY 196 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1gj4 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gj4 s GLY 197 N -1.01 1.70 0.08 -0.02 0.00 -0.84 -3.48 107.32 103.75 1gj4 s GLY 197 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 44.72 43.62 1gj4 s GLY 197 CO 0.00 -0.28 0.36 2.56 0.00 0.00 0.00 173.10 175.74 1gj4 s PRO 198 N -5.69 3.67 -0.22 2.90 0.04 -1.26 -1.05 135.00 133.39 1gj4 s PRO 198 Ca 0.71 0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 1gj4 s PRO 198 Cb -0.07 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.51 1gj4 s PRO 198 CO 0.53 0.56 -0.11 0.12 0.04 0.00 0.00 177.00 178.15 1gj4 s PHE 199 N -1.44 2.96 0.18 0.56 2.19 -0.40 -3.63 117.98 118.40 1gj4 s PHE 199 Ca 0.34 -1.50 0.06 0.00 0.33 0.00 0.00 56.93 56.16 1gj4 s PHE 199 Cb -0.13 -2.02 -0.05 0.00 -1.31 0.00 0.00 43.02 39.52 1gj4 s PHE 199 CO 0.19 -0.73 -0.13 0.14 1.83 0.00 0.00 175.22 176.53 1gj4 s VAL 200 N 1.33 1.51 0.14 3.12 -7.23 -0.33 -1.78 120.40 117.17 1gj4 s VAL 200 Ca 0.02 -2.12 0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1gj4 s VAL 200 Cb -0.15 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1gj4 s VAL 200 CO -0.07 -0.63 -0.11 -0.04 -0.31 0.00 0.00 175.10 173.93 1gj4 s MET 201 N -3.61 1.06 -0.24 4.82 -1.94 0.22 -1.50 119.30 118.11 1gj4 s MET 201 Ca 0.19 -1.40 -0.06 0.00 -1.71 0.00 0.00 55.69 52.71 1gj4 s MET 201 Cb 0.00 -0.71 -0.02 0.00 2.01 0.00 0.00 34.83 36.11 1gj4 s MET 201 CO 0.04 0.10 0.04 0.21 -0.01 0.00 0.00 175.02 175.40 1gj4 s LYS 202 N -3.47 3.59 0.01 2.03 2.20 -1.26 -0.07 119.74 122.76 1gj4 s LYS 202 Ca 0.15 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 1gj4 s LYS 202 Cb 0.01 -3.24 -0.06 0.00 -1.51 0.00 0.00 37.83 33.03 1gj4 s LYS 202 CO 0.01 -0.18 1.46 0.45 -0.36 0.00 0.00 175.35 176.74 1gj4 s SER 203 N 1.55 6.79 0.00 1.43 0.15 0.11 -4.86 113.70 118.88 1gj4 s SER 203 Ca 0.06 2.18 0.20 0.00 0.70 0.00 0.00 55.95 59.09 1gj4 s SER 203 Cb -0.15 -2.56 1.18 0.00 -1.71 0.00 0.00 66.02 62.78 1gj4 s SER 203 CO 0.02 -0.77 1.71 -0.81 1.20 0.00 0.00 173.24 174.59 1gj4 n PRO 204 N 5.56 0.92 -0.10 5.44 -0.04 -1.26 -1.70 135.00 143.83 1gj4 n PRO 204 Ca 0.14 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.36 1gj4 n PRO 204 Cb 0.43 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 1gj4 n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1gj4 n PHE 204 N -0.83 0.53 -1.40 0.54 3.72 -1.26 -4.67 117.46 114.08 1gj4 n PHE 204 Ca 0.15 0.18 0.07 0.00 -0.05 0.00 0.00 57.45 57.79 1gj4 n PHE 204 Cb 0.07 -1.06 0.10 0.00 -0.94 0.00 0.00 39.48 37.65 1gj4 n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1gj4 n ASN 204 N -3.96 1.59 -1.36 4.37 2.04 -1.24 -5.02 115.26 111.68 1gj4 n ASN 204 Ca -0.42 -2.77 -0.12 0.00 -0.44 0.00 0.00 54.58 50.83 1gj4 n ASN 204 Cb 0.88 -0.36 -0.05 0.00 -2.53 0.00 0.00 39.78 37.72 1gj4 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1gj4 n ASN 205 N -0.96 -3.26 -4.96 0.53 4.13 -0.69 -4.97 115.26 105.09 1gj4 n ASN 205 Ca 0.11 0.31 -0.23 0.00 1.68 0.00 0.00 54.58 56.45 1gj4 n ASN 205 Cb 0.67 -3.08 -0.02 0.00 -1.54 0.00 0.00 39.78 35.81 1gj4 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1gj4 s ARG 206 N -3.04 3.45 -0.14 3.52 0.52 -1.25 -4.80 118.95 117.20 1gj4 s ARG 206 Ca 0.00 -0.66 -0.11 0.00 -0.52 0.00 0.00 55.73 54.44 1gj4 s ARG 206 Cb 0.00 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 1gj4 s ARG 206 CO 0.00 0.42 0.21 -1.58 0.02 0.00 0.00 175.30 174.38 1gj4 s TRP 207 N -1.95 3.51 0.19 -0.53 0.52 -1.26 0.07 118.94 119.49 1gj4 s TRP 207 Ca 0.35 0.54 0.11 0.00 0.02 0.00 0.00 56.10 57.12 1gj4 s TRP 207 Cb -0.10 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 1gj4 s TRP 207 CO 0.30 0.44 -0.24 0.71 0.02 0.00 0.00 176.95 178.18 1gj4 s TYR 208 N -0.16 2.27 -0.44 -1.98 2.02 0.90 -2.56 117.35 117.40 1gj4 s TYR 208 Ca 0.14 -0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.38 1gj4 s TYR 208 Cb -0.13 -1.12 0.09 0.00 -0.40 0.00 0.00 41.96 40.40 1gj4 s TYR 208 CO 0.03 0.49 0.31 -1.14 -1.57 0.00 0.00 175.55 173.67 1gj4 s GLN 209 N -2.69 2.64 -0.02 -0.62 0.74 -0.24 -0.61 119.66 118.85 1gj4 s GLN 209 Ca 0.21 -1.53 0.00 0.00 0.05 0.00 0.00 55.36 54.09 1gj4 s GLN 209 Cb -0.08 -3.88 -0.26 0.00 1.10 0.00 0.00 33.01 29.89 1gj4 s GLN 209 CO 0.10 -1.04 0.77 0.52 -0.55 0.00 0.00 175.29 175.09 1gj4 h MET 210 N 8.48 0.19 -4.58 1.67 2.86 -1.67 -3.39 114.93 118.48 1gj4 h MET 210 Ca -0.23 -0.32 -0.24 0.00 -2.06 0.00 0.00 59.70 56.85 1gj4 h MET 210 Cb 1.08 0.12 -0.15 0.00 0.06 0.00 0.00 31.60 32.71 1gj4 h MET 210 CO 0.81 0.99 -0.62 0.20 1.06 0.00 0.00 176.91 179.35 1gj4 s GLY 211 N -5.07 1.39 0.10 8.32 0.00 -1.11 -1.20 107.32 109.75 1gj4 s GLY 211 Ca -0.10 -1.68 0.10 0.00 0.00 0.00 0.00 44.72 43.05 1gj4 s GLY 211 CO 0.83 -1.40 -0.24 -0.42 0.00 0.00 0.00 173.10 171.87 1gj4 s ILE 212 N -4.14 2.42 -0.17 0.90 1.01 -1.03 -1.28 121.20 118.92 1gj4 s ILE 212 Ca 0.37 -1.57 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 1gj4 s ILE 212 Cb 0.07 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1gj4 s ILE 212 CO 0.11 0.18 1.33 -0.69 0.00 0.00 0.00 174.94 175.86 1gj4 s VAL 213 N -1.01 4.17 0.01 2.92 1.01 -0.22 -1.31 120.40 125.96 1gj4 s VAL 213 Ca 0.14 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 1gj4 s VAL 213 Cb -0.10 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1gj4 s VAL 213 CO 0.06 -0.16 -0.03 -0.24 0.00 0.00 0.00 175.10 174.73 1gj4 n SER 214 N 6.82 0.39 -3.72 3.32 2.88 -0.63 -1.96 113.62 120.72 1gj4 n SER 214 Ca 0.15 0.06 -0.09 0.00 -1.33 0.00 0.00 58.87 57.65 1gj4 n SER 214 Cb 0.45 -0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 63.65 1gj4 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1gj4 s TRP 215 N -1.36 -0.23 0.35 0.66 1.48 -0.91 -4.91 118.94 114.02 1gj4 s TRP 215 Ca -0.02 -0.13 -0.17 0.00 -1.06 0.00 0.00 56.10 54.72 1gj4 s TRP 215 Cb 0.00 0.56 0.06 0.00 -1.16 0.00 0.00 33.47 32.93 1gj4 s TRP 215 CO 0.04 -1.04 0.82 0.20 -4.06 0.00 0.00 176.95 172.91 1gj4 s GLY 216 N -2.87 0.31 -0.39 3.67 0.00 -1.26 -0.27 107.32 106.51 1gj4 s GLY 216 Ca 0.09 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.18 1gj4 s GLY 216 CO -0.01 0.08 0.11 -0.54 0.00 0.00 0.00 173.10 172.75 1gj4 s GLU 217 N -2.36 1.63 0.49 2.90 2.02 -1.26 -5.01 118.70 117.11 1gj4 s GLU 217 Ca 0.16 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 53.07 1gj4 s GLU 217 Cb -0.05 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1gj4 s GLU 217 CO 0.10 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.80 1gj4 n GLY 219 N 3.95 -2.23 2.87 -1.39 0.00 -1.26 -4.71 105.19 102.41 1gj4 n GLY 219 Ca 0.04 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 1gj4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gj4 n ASP 221 N 4.93 -5.25 -4.80 0.00 2.03 -1.26 -4.52 116.55 107.68 1gj4 n ASP 221 Ca -0.11 -0.36 -0.37 0.00 0.52 0.00 0.00 54.79 54.47 1gj4 n ASP 221 Cb 0.48 -3.91 -0.06 0.00 -0.72 0.00 0.00 41.12 36.91 1gj4 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1gj4 s ARG 221 N -5.84 4.43 0.29 -0.67 0.52 -1.26 -4.97 118.95 111.45 1gj4 s ARG 221 Ca 0.39 1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 56.39 1gj4 s ARG 221 Cb -0.17 -2.93 -0.09 0.00 0.52 0.00 0.00 34.95 32.27 1gj4 s ARG 221 CO 0.48 0.39 1.09 -0.51 0.02 0.00 0.00 175.30 176.78 1gj4 s ASP 222 N -1.54 7.22 0.00 0.23 1.11 -1.26 -2.71 116.67 119.72 1gj4 s ASP 222 Ca 0.44 2.25 0.00 0.00 0.18 0.00 0.00 52.55 55.41 1gj4 s ASP 222 Cb -0.19 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.18 1gj4 s ASP 222 CO 0.23 -0.18 0.00 0.61 1.18 0.00 0.00 175.17 177.02 1gj4 n GLY 223 N 1.11 0.76 3.41 0.21 0.00 -1.26 -5.02 105.19 104.41 1gj4 n GLY 223 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1gj4 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gj4 s LYS 224 N -0.35 1.51 0.34 1.61 -0.14 -1.10 -4.80 119.74 116.81 1gj4 s LYS 224 Ca 0.00 -1.74 0.07 0.00 -1.36 0.00 0.00 55.97 52.94 1gj4 s LYS 224 Cb 0.00 -1.18 -0.03 0.00 -1.68 0.00 0.00 37.83 34.94 1gj4 s LYS 224 CO 0.00 0.09 0.30 0.71 -0.76 0.00 0.00 175.35 175.69 1gj4 s TYR 225 N -2.97 1.77 0.06 3.18 2.02 -1.26 -4.77 117.35 115.38 1gj4 s TYR 225 Ca 0.28 -1.67 0.04 0.00 -0.37 0.00 0.00 57.07 55.35 1gj4 s TYR 225 Cb 0.02 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 1gj4 s TYR 225 CO 0.11 -0.90 -0.01 0.20 -1.57 0.00 0.00 175.55 173.38 1gj4 s GLY 226 N -3.38 1.90 -0.00 0.71 0.00 -1.04 -4.25 107.32 101.26 1gj4 s GLY 226 Ca 0.40 -1.07 0.06 0.00 0.00 0.00 0.00 44.72 44.11 1gj4 s GLY 226 CO 0.28 -1.02 -0.19 -1.36 0.00 0.00 0.00 173.10 170.81 1gj4 s PHE 227 N -1.24 2.54 0.07 1.90 0.40 0.63 -0.83 117.98 121.45 1gj4 s PHE 227 Ca 0.24 -0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1gj4 s PHE 227 Cb -0.12 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 1gj4 s PHE 227 CO 0.16 0.16 -0.14 0.71 0.70 0.00 0.00 175.22 176.80 1gj4 s TYR 228 N -0.78 1.20 0.39 0.36 1.51 -0.44 -1.61 117.35 117.99 1gj4 s TYR 228 Ca 0.12 -0.44 -0.26 0.00 -1.01 0.00 0.00 57.07 55.48 1gj4 s TYR 228 Cb -0.10 -0.68 -0.09 0.00 -0.11 0.00 0.00 41.96 40.98 1gj4 s TYR 228 CO 0.02 0.05 1.25 0.99 -1.11 0.00 0.00 175.55 176.75 1gj4 s THR 229 N -1.21 2.84 -0.86 -0.71 2.01 -0.43 -2.59 115.64 114.70 1gj4 s THR 229 Ca -0.02 0.74 -0.22 0.00 0.31 0.00 0.00 61.69 62.50 1gj4 s THR 229 Cb -0.10 -3.44 0.07 0.00 0.01 0.00 0.00 72.50 69.05 1gj4 s THR 229 CO 0.02 0.10 1.22 -2.28 -0.69 0.00 0.00 174.62 172.99 1gj4 s HIS 230 N -1.30 2.69 0.17 4.92 2.46 0.65 -2.47 115.29 122.42 1gj4 s HIS 230 Ca 0.56 -0.79 -0.15 0.00 0.47 0.00 0.00 55.06 55.15 1gj4 s HIS 230 Cb -0.35 -4.48 0.13 0.00 -0.13 0.00 0.00 32.58 27.75 1gj4 s HIS 230 CO 0.45 -1.77 1.71 0.28 -2.47 0.00 0.00 174.74 172.94 1gj4 h VAL 231 N 6.20 0.73 -0.31 0.89 2.07 -1.47 -2.39 116.25 121.97 1gj4 h VAL 231 Ca -0.01 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1gj4 h VAL 231 Cb 1.03 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1gj4 h VAL 231 CO 1.25 0.03 0.05 0.15 0.02 0.00 0.00 177.57 179.08 1gj4 h PHE 232 N 0.16 0.08 0.00 1.57 3.57 -1.88 -1.02 116.94 119.43 1gj4 h PHE 232 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1gj4 h PHE 232 Cb 0.28 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1gj4 h PHE 232 CO -0.24 0.01 0.11 0.00 -2.23 0.00 0.00 178.31 175.96 1gj4 h ARG 233 N 0.16 0.00 -0.24 1.11 3.08 -1.81 -1.34 114.38 115.34 1gj4 h ARG 233 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1gj4 h ARG 233 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1gj4 h ARG 233 CO -0.20 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.98 1gj4 n LEU 234 N -2.89 2.66 -0.01 3.04 4.77 -0.49 -4.69 117.00 119.39 1gj4 n LEU 234 Ca -0.02 -2.02 0.07 0.00 -0.03 0.00 0.00 56.01 54.01 1gj4 n LEU 234 Cb 0.17 -0.17 0.47 0.00 -2.33 0.00 0.00 43.42 41.56 1gj4 n LEU 234 CO 0.16 0.66 1.16 0.50 -1.33 0.00 0.00 177.39 178.55 1gj4 h LYS 235 N 1.41 0.45 -0.71 3.23 3.64 -0.14 -1.75 116.57 122.70 1gj4 h LYS 235 Ca 0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1gj4 h LYS 235 Cb 0.67 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1gj4 h LYS 235 CO 0.00 0.30 0.30 0.87 -2.27 0.00 0.00 179.45 178.65 1gj4 h LYS 236 N 0.46 1.05 -0.27 1.90 1.57 -1.84 -1.37 116.57 118.08 1gj4 h LYS 236 Ca 0.18 -0.18 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1gj4 h LYS 236 Cb 0.14 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1gj4 h LYS 236 CO -0.04 0.86 -0.07 2.35 -0.57 0.00 0.00 179.45 181.98 1gj4 h TRP 237 N 1.01 -0.14 0.14 -1.35 7.01 -1.68 -0.80 115.95 120.14 1gj4 h TRP 237 Ca 0.24 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.28 1gj4 h TRP 237 Cb 0.18 0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.30 1gj4 h TRP 237 CO 0.01 -0.11 -0.53 0.82 -2.79 0.00 0.00 178.44 175.84 1gj4 h ILE 238 N -0.00 0.01 -0.54 2.65 2.04 -1.10 -1.24 117.51 119.32 1gj4 h ILE 238 Ca 0.13 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.10 1gj4 h ILE 238 Cb 0.19 0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 36.17 1gj4 h ILE 238 CO -0.27 0.00 -0.19 1.56 0.00 0.00 0.00 178.15 179.24 1gj4 h GLN 239 N -0.77 -0.06 -0.02 2.37 4.20 -0.93 -0.81 115.11 119.09 1gj4 h GLN 239 Ca -0.01 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1gj4 h GLN 239 Cb 0.77 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1gj4 h GLN 239 CO -0.28 -0.04 -0.15 -0.22 -0.67 0.00 0.00 178.83 177.47 1gj4 h LYS 240 N -0.06 -0.23 -0.06 1.46 3.64 -0.61 0.11 116.57 120.81 1gj4 h LYS 240 Ca 0.25 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1gj4 h LYS 240 Cb 0.46 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1gj4 h LYS 240 CO -0.59 -0.15 -0.34 -0.39 -2.27 0.00 0.00 179.45 175.71 1gj4 h VAL 241 N -0.24 1.26 0.57 2.00 -1.51 -0.47 -2.53 116.25 115.34 1gj4 h VAL 241 Ca 0.06 -1.26 -0.03 0.00 -1.23 0.00 0.00 66.70 64.24 1gj4 h VAL 241 Cb 0.31 1.60 0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1gj4 h VAL 241 CO -0.16 0.37 -0.28 0.40 -1.23 0.00 0.00 177.57 176.68 1gj4 h ILE 242 N 0.11 0.00 0.00 7.19 2.04 -0.49 -1.06 117.51 125.29 1gj4 h ILE 242 Ca 0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1gj4 h ILE 242 Cb 0.65 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1gj4 h ILE 242 CO 0.05 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.30 1gj4 n ASP 243 N -5.13 1.99 -0.00 1.72 5.68 0.32 0.05 116.55 121.18 1gj4 n ASP 243 Ca -0.10 -1.85 -0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1gj4 n ASP 243 Cb 0.30 -0.46 -0.00 0.00 -1.14 0.00 0.00 41.12 39.82 1gj4 n ASP 243 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1gj4 n GLN 244 N 0.33 0.01 -0.16 0.11 7.27 -0.96 -4.79 117.38 119.19 1gj4 n GLN 244 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.12 1gj4 n GLN 244 Cb 0.36 -0.93 0.13 0.00 2.41 0.00 0.00 30.24 32.21 1gj4 n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1gj4 n PHE 245 N -2.58 0.36 0.00 3.69 3.72 -0.41 -5.09 117.46 117.15 1gj4 n PHE 245 Ca -0.01 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 1gj4 n PHE 245 Cb 0.51 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1gj4 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12