#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj4 s VAL 9 N 0.00 5.17 0.02 1.69 1.01 -1.26 -5.06 120.40 121.97 3gj4 s VAL 9 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3gj4 s VAL 9 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3gj4 s VAL 9 CO 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 175.10 175.06 3gj4 s GLN 10 N 2.03 0.37 -0.02 2.72 -2.07 -1.26 -0.56 119.66 120.87 3gj4 s GLN 10 Ca 0.12 -0.63 0.01 0.00 -1.82 0.00 0.00 55.36 53.05 3gj4 s GLN 10 Cb -0.16 0.14 0.01 0.00 -1.09 0.00 0.00 33.01 31.90 3gj4 s GLN 10 CO 0.11 -0.07 -0.04 -0.06 -1.32 0.00 0.00 175.29 173.92 3gj4 s PHE 11 N -1.67 0.51 -0.10 9.60 0.08 -0.09 -4.96 117.98 121.34 3gj4 s PHE 11 Ca -0.14 -0.10 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 3gj4 s PHE 11 Cb -0.08 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.90 3gj4 s PHE 11 CO -0.01 -0.09 1.43 0.21 -0.10 0.00 0.00 175.22 176.65 3gj4 s LYS 12 N 0.48 4.22 -0.20 0.44 2.20 -1.26 -0.69 119.74 124.93 3gj4 s LYS 12 Ca -0.05 1.90 -0.00 0.00 -0.36 0.00 0.00 55.97 57.46 3gj4 s LYS 12 Cb -0.09 -3.82 0.02 0.00 -1.51 0.00 0.00 37.83 32.43 3gj4 s LYS 12 CO -0.00 -0.74 -0.14 -1.17 -0.36 0.00 0.00 175.35 172.94 3gj4 s LEU 13 N 3.53 2.53 -0.12 5.43 0.20 0.84 -0.40 118.68 130.70 3gj4 s LEU 13 Ca 0.63 -0.69 -0.17 0.00 0.69 0.00 0.00 54.13 54.60 3gj4 s LEU 13 Cb -0.27 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3gj4 s LEU 13 CO 0.22 -0.04 0.43 0.68 -0.29 0.00 0.00 176.35 177.35 3gj4 s VAL 14 N 1.32 5.20 -0.33 1.68 -7.23 -0.96 -0.53 120.40 119.55 3gj4 s VAL 14 Ca 0.03 0.85 -0.09 0.00 -1.81 0.00 0.00 61.98 60.96 3gj4 s VAL 14 Cb -0.14 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.04 3gj4 s VAL 14 CO -0.09 0.36 0.15 -0.22 -0.31 0.00 0.00 175.10 174.98 3gj4 s LEU 15 N 0.48 4.26 0.29 1.32 2.96 -1.09 -1.75 118.68 125.15 3gj4 s LEU 15 Ca 0.24 -0.76 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3gj4 s LEU 15 Cb -0.15 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 3gj4 s LEU 15 CO 0.09 -0.26 0.10 0.68 -1.32 0.00 0.00 176.35 175.63 3gj4 s VAL 16 N 1.55 0.68 0.00 1.68 -7.23 -0.39 -4.68 120.40 112.02 3gj4 s VAL 16 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3gj4 s VAL 16 Cb -0.18 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3gj4 s VAL 16 CO 0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 3gj4 n GLY 17 N -0.57 4.18 3.46 2.32 0.00 -1.26 -0.17 105.19 113.16 3gj4 n GLY 17 Ca -0.01 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 3gj4 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gj4 n ASP 18 N 0.00 -0.99 -4.70 1.61 8.00 -1.25 -4.91 116.55 114.30 3gj4 n ASP 18 Ca 0.00 0.78 -0.39 0.00 0.71 0.00 0.00 54.79 55.89 3gj4 n ASP 18 Cb 0.00 -1.16 0.03 0.00 -0.02 0.00 0.00 41.12 39.98 3gj4 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gj4 n GLY 19 N 1.78 0.44 2.38 0.44 0.00 -1.26 -2.84 105.19 106.13 3gj4 n GLY 19 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3gj4 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gj4 n GLY 20 N 0.90 1.05 0.17 -0.02 0.00 -1.26 -4.90 105.19 101.13 3gj4 n GLY 20 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3gj4 n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gj4 h THR 21 N 0.00 0.00 0.00 2.61 1.35 -1.88 -3.48 112.91 111.51 3gj4 h THR 21 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3gj4 h THR 21 Cb 0.00 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3gj4 h THR 21 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3gj4 n GLY 22 N 1.17 1.79 0.23 5.82 0.00 -1.26 -4.61 105.19 108.33 3gj4 n GLY 22 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3gj4 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gj4 h LYS 23 N 0.00 0.77 -0.20 1.61 1.57 -1.92 -1.05 116.57 117.35 3gj4 h LYS 23 Ca 0.00 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 3gj4 h LYS 23 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3gj4 h LYS 23 CO 0.00 0.90 -0.04 1.15 -0.57 0.00 0.00 179.45 180.90 3gj4 h THR 24 N 0.58 1.28 -0.60 -0.16 2.02 -1.96 -1.41 112.91 112.66 3gj4 h THR 24 Ca 0.10 -0.99 0.09 0.00 0.77 0.00 0.00 66.41 66.38 3gj4 h THR 24 Cb 0.62 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 68.48 3gj4 h THR 24 CO 0.04 0.30 0.23 0.74 0.37 0.00 0.00 175.52 177.20 3gj4 h THR 25 N 0.12 0.78 0.55 3.16 2.02 -1.97 -1.66 112.91 115.91 3gj4 h THR 25 Ca 0.05 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3gj4 h THR 25 Cb 0.47 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3gj4 h THR 25 CO 0.02 0.08 -0.27 0.15 0.37 0.00 0.00 175.52 175.87 3gj4 h PHE 26 N 0.42 -0.69 -0.19 3.16 3.57 -0.95 -2.99 116.94 119.26 3gj4 h PHE 26 Ca 0.30 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 3gj4 h PHE 26 Cb 0.36 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3gj4 h PHE 26 CO -0.16 -0.40 -0.09 -0.24 -2.23 0.00 0.00 178.31 175.18 3gj4 h VAL 27 N -0.80 1.18 0.00 1.41 3.04 -1.16 -2.14 116.25 117.77 3gj4 h VAL 27 Ca -0.08 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 3gj4 h VAL 27 Cb 0.60 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 3gj4 h VAL 27 CO 0.12 0.24 0.00 0.29 -1.01 0.00 0.00 177.57 177.22 3gj4 n LYS 28 N -4.28 0.16 -0.16 4.17 5.02 -0.63 -2.72 118.16 119.71 3gj4 n LYS 28 Ca -0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3gj4 n LYS 28 Cb 0.26 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 34.02 3gj4 n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gj4 h ARG 29 N 0.00 0.88 -6.44 1.97 2.47 -1.32 -3.40 114.38 108.55 3gj4 h ARG 29 Ca 0.00 -0.09 -0.56 0.00 -1.26 0.00 0.00 59.98 58.08 3gj4 h ARG 29 Cb 0.18 -0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 3gj4 h ARG 29 CO 0.00 0.64 1.12 -1.58 0.56 0.00 0.00 179.97 180.71 3gj4 s HIS 30 N -5.62 2.26 0.13 3.04 2.46 -1.10 -1.42 115.29 115.04 3gj4 s HIS 30 Ca -0.10 0.61 -0.15 0.00 0.47 0.00 0.00 55.06 55.90 3gj4 s HIS 30 Cb 0.17 -4.31 -0.01 0.00 -0.13 0.00 0.00 32.58 28.31 3gj4 s HIS 30 CO 0.78 -2.10 1.60 -0.07 -2.47 0.00 0.00 174.74 172.48 3gj4 h LEU 31 N 12.88 0.69 -0.71 8.88 3.38 -1.68 -0.14 115.31 138.60 3gj4 h LEU 31 Ca -0.28 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.29 3gj4 h LEU 31 Cb 1.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3gj4 h LEU 31 CO 1.12 0.79 -0.35 0.74 0.09 0.00 0.00 178.44 180.82 3gj4 h THR 32 N 0.56 1.29 -0.55 0.22 2.02 -1.91 -0.44 112.91 114.11 3gj4 h THR 32 Ca 0.13 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.82 3gj4 h THR 32 Cb 0.40 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3gj4 h THR 32 CO 0.01 0.47 0.34 1.23 0.37 0.00 0.00 175.52 177.95 3gj4 h GLY 33 N 1.03 0.78 1.02 2.16 0.00 -1.55 -0.90 103.07 105.61 3gj4 h GLY 33 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3gj4 h GLY 33 CO 0.07 0.30 0.15 -2.09 0.00 0.00 0.00 176.54 174.98 3gj4 h GLU 34 N 0.74 0.97 0.00 4.80 4.57 -0.65 -1.62 114.58 123.38 3gj4 h GLU 34 Ca 0.20 -0.23 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 3gj4 h GLU 34 Cb -0.04 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 3gj4 h GLU 34 CO -0.04 0.88 -0.33 0.66 -1.18 0.00 0.00 179.01 179.00 3gj4 h SER 35 N 0.88 0.00 -0.45 1.04 4.64 -0.69 -3.23 113.55 115.74 3gj4 h SER 35 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3gj4 h SER 35 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3gj4 h SER 35 CO 0.00 0.33 0.00 -0.62 -0.87 0.00 0.00 176.83 175.67 3gj4 n GLU 36 N -3.34 2.83 -1.73 4.77 1.02 -0.38 -5.03 120.64 118.78 3gj4 n GLU 36 Ca 0.01 -2.22 -0.40 0.00 -0.02 0.00 0.00 57.16 54.53 3gj4 n GLU 36 Cb 0.55 -1.35 0.02 0.00 -0.02 0.00 0.00 31.44 30.64 3gj4 n GLU 36 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3gj4 n LYS 37 N 0.83 2.00 -4.60 3.49 2.85 -0.61 -4.64 118.16 117.48 3gj4 n LYS 37 Ca 0.15 0.72 -0.34 0.00 -1.05 0.00 0.00 58.31 57.79 3gj4 n LYS 37 Cb 0.48 -2.52 -0.11 0.00 -0.65 0.00 0.00 35.03 32.23 3gj4 n LYS 37 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3gj4 s LYS 38 N -2.44 2.74 -0.03 -1.58 1.02 0.24 -4.92 119.74 114.77 3gj4 s LYS 38 Ca 0.63 -0.56 -0.20 0.00 0.02 0.00 0.00 55.97 55.87 3gj4 s LYS 38 Cb -0.46 -2.59 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 3gj4 s LYS 38 CO 0.56 0.66 0.57 -0.47 -0.92 0.00 0.00 175.35 175.75 3gj4 s TYR 39 N -0.83 3.64 -0.47 3.18 5.04 -1.26 -0.04 117.35 126.61 3gj4 s TYR 39 Ca 0.13 1.12 -0.02 0.00 -2.44 0.00 0.00 57.07 55.87 3gj4 s TYR 39 Cb -0.11 -2.59 0.12 0.00 0.35 0.00 0.00 41.96 39.74 3gj4 s TYR 39 CO 0.02 0.31 0.26 0.08 -1.34 0.00 0.00 175.55 174.88 3gj4 s VAL 40 N -0.00 3.25 0.20 3.14 1.01 0.20 -4.97 120.40 123.22 3gj4 s VAL 40 Ca 0.30 -2.43 -0.07 0.00 0.00 0.00 0.00 61.98 59.78 3gj4 s VAL 40 Cb -0.17 -3.21 0.07 0.00 0.00 0.00 0.00 36.38 33.07 3gj4 s VAL 40 CO 0.16 -0.74 1.66 0.00 0.00 0.00 0.00 175.10 176.18 3gj4 h ALA 41 N 7.61 0.89 -0.80 5.51 0.00 -1.97 -0.24 119.26 130.26 3gj4 h ALA 41 Ca -0.09 -0.31 0.16 0.00 0.00 0.00 0.00 54.91 54.68 3gj4 h ALA 41 Cb 1.01 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3gj4 h ALA 41 CO 0.68 0.65 0.53 1.79 0.00 0.00 0.00 179.25 182.90 3gj4 h THR 42 N 0.90 0.76 -0.01 0.00 1.35 -1.96 -2.44 112.91 111.51 3gj4 h THR 42 Ca 0.16 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3gj4 h THR 42 Cb 0.56 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 3gj4 h THR 42 CO 0.03 0.08 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 3gj4 n LEU 43 N -4.49 1.75 -3.52 3.87 4.77 -0.98 -5.01 117.00 113.39 3gj4 n LEU 43 Ca 0.16 -1.00 -0.23 0.00 -0.03 0.00 0.00 56.01 54.91 3gj4 n LEU 43 Cb 0.57 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.72 3gj4 n LEU 43 CO 0.32 0.34 -0.03 0.61 -1.33 0.00 0.00 177.39 177.31 3gj4 n GLY 44 N 0.50 -0.85 3.00 -0.72 0.00 -0.15 -4.90 105.19 102.08 3gj4 n GLY 44 Ca 0.05 0.40 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 3gj4 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gj4 s VAL 45 N -3.48 0.45 -0.21 1.61 1.01 -0.92 -2.65 120.40 116.21 3gj4 s VAL 45 Ca 0.33 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3gj4 s VAL 45 Cb -0.08 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3gj4 s VAL 45 CO 0.80 -0.12 0.01 -1.61 0.00 0.00 0.00 175.10 174.18 3gj4 s GLU 46 N -0.80 3.61 -0.34 2.72 2.02 -0.59 0.59 118.70 125.90 3gj4 s GLU 46 Ca -0.04 -0.52 -0.15 0.00 0.02 0.00 0.00 54.97 54.28 3gj4 s GLU 46 Cb -0.06 -3.13 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 3gj4 s GLU 46 CO 0.00 -0.05 0.35 0.08 0.02 0.00 0.00 175.26 175.65 3gj4 s VAL 47 N 1.18 5.18 -0.33 2.63 1.01 0.94 -1.25 120.40 129.76 3gj4 s VAL 47 Ca 0.03 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 3gj4 s VAL 47 Cb -0.14 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3gj4 s VAL 47 CO 0.02 -0.06 0.27 -1.00 0.00 0.00 0.00 175.10 174.33 3gj4 s HIS 48 N 1.98 3.22 -0.62 5.22 3.76 0.02 -0.59 115.29 128.28 3gj4 s HIS 48 Ca 0.11 -0.08 -0.28 0.00 -0.15 0.00 0.00 55.06 54.66 3gj4 s HIS 48 Cb -0.17 -2.52 0.03 0.00 1.11 0.00 0.00 32.58 31.03 3gj4 s HIS 48 CO 0.11 -0.35 1.25 -1.25 -0.85 0.00 0.00 174.74 173.66 3gj4 s PRO 49 N 1.83 3.39 -0.58 8.40 0.04 -1.26 -0.87 135.00 145.95 3gj4 s PRO 49 Ca 0.08 0.14 -0.14 0.00 0.04 0.00 0.00 61.00 61.12 3gj4 s PRO 49 Cb -0.17 -4.08 0.14 0.00 0.04 0.00 0.00 34.50 30.44 3gj4 s PRO 49 CO 0.11 -1.85 0.52 -0.51 0.04 0.00 0.00 177.00 175.31 3gj4 s LEU 50 N 5.34 6.19 0.08 -3.56 1.43 -0.04 -3.76 118.68 124.36 3gj4 s LEU 50 Ca 0.42 -1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 51.24 3gj4 s LEU 50 Cb -0.08 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 3gj4 s LEU 50 CO 0.22 -0.78 1.03 -0.69 0.23 0.00 0.00 176.35 176.37 3gj4 s VAL 51 N 1.29 4.42 0.07 -1.59 1.01 -1.26 -1.13 120.40 123.21 3gj4 s VAL 51 Ca 0.06 1.89 0.09 0.00 0.00 0.00 0.00 61.98 64.02 3gj4 s VAL 51 Cb -0.26 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3gj4 s VAL 51 CO 0.00 0.23 -0.25 -0.36 0.00 0.00 0.00 175.10 174.72 3gj4 s PHE 52 N 0.43 2.19 -0.34 5.22 0.40 0.06 -4.86 117.98 121.08 3gj4 s PHE 52 Ca 0.51 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.34 3gj4 s PHE 52 Cb -0.25 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.02 3gj4 s PHE 52 CO 0.30 0.18 0.17 -1.01 0.70 0.00 0.00 175.22 175.56 3gj4 s HIS 53 N -0.89 3.21 0.27 0.36 3.76 -1.26 -0.92 115.29 119.82 3gj4 s HIS 53 Ca 0.11 -0.83 0.07 0.00 -0.15 0.00 0.00 55.06 54.26 3gj4 s HIS 53 Cb -0.10 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.17 3gj4 s HIS 53 CO 0.03 -0.57 0.20 0.95 -0.85 0.00 0.00 174.74 174.50 3gj4 s THR 54 N 1.56 4.17 -0.37 1.30 -4.23 -0.36 0.26 115.64 117.98 3gj4 s THR 54 Ca 0.03 -1.44 0.11 0.00 -1.18 0.00 0.00 61.69 59.20 3gj4 s THR 54 Cb -0.18 -3.31 0.11 0.00 1.34 0.00 0.00 72.50 70.45 3gj4 s THR 54 CO 0.06 -0.31 1.25 -0.46 -0.54 0.00 0.00 174.62 174.62 3gj4 n ASN 55 N -1.20 0.27 -0.87 3.99 6.94 0.10 -0.62 115.26 123.88 3gj4 n ASN 55 Ca -0.06 0.56 0.04 0.00 -0.02 0.00 0.00 54.58 55.10 3gj4 n ASN 55 Cb 0.58 -0.56 0.22 0.00 -2.36 0.00 0.00 39.78 37.67 3gj4 n ASN 55 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3gj4 n ARG 56 N -1.86 2.32 0.00 -3.83 1.74 -1.26 -5.05 116.66 108.72 3gj4 n ARG 56 Ca -0.01 -2.93 0.00 0.00 -0.77 0.00 0.00 57.85 54.14 3gj4 n ARG 56 Cb 0.15 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3gj4 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gj4 n GLY 57 N -0.85 0.89 3.75 -0.13 0.00 0.21 -5.01 105.19 104.04 3gj4 n GLY 57 Ca 0.25 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3gj4 n GLY 57 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gj4 s PRO 58 N -1.30 4.45 -0.08 1.61 0.02 -1.26 -1.22 135.00 137.22 3gj4 s PRO 58 Ca 0.00 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.05 3gj4 s PRO 58 Cb 0.00 -3.18 0.01 0.00 0.02 0.00 0.00 34.50 31.35 3gj4 s PRO 58 CO 0.00 -0.13 -0.15 0.96 -0.33 0.00 0.00 177.00 177.34 3gj4 s ILE 59 N -0.34 1.41 -0.26 2.83 -4.36 -0.10 -4.37 121.20 116.01 3gj4 s ILE 59 Ca 0.53 -0.63 -0.09 0.00 -0.26 0.00 0.00 60.65 60.19 3gj4 s ILE 59 Cb -0.35 -1.27 -0.04 0.00 1.25 0.00 0.00 42.46 42.04 3gj4 s ILE 59 CO 0.41 0.42 0.14 -0.75 0.24 0.00 0.00 174.94 175.39 3gj4 s LYS 60 N 0.66 3.84 -0.44 0.37 2.20 0.28 -0.76 119.74 125.88 3gj4 s LYS 60 Ca -0.14 -0.38 -0.17 0.00 -0.36 0.00 0.00 55.97 54.92 3gj4 s LYS 60 Cb -0.16 -3.51 0.03 0.00 -1.51 0.00 0.00 37.83 32.68 3gj4 s LYS 60 CO 0.04 -0.16 0.45 -0.06 -0.36 0.00 0.00 175.35 175.26 3gj4 s PHE 61 N 1.63 3.17 -0.69 4.03 0.08 -0.28 -0.91 117.98 125.00 3gj4 s PHE 61 Ca 0.07 -0.50 -0.27 0.00 0.12 0.00 0.00 56.93 56.35 3gj4 s PHE 61 Cb -0.15 -3.01 0.03 0.00 -0.57 0.00 0.00 43.02 39.32 3gj4 s PHE 61 CO 0.08 -0.76 1.30 -0.80 -0.10 0.00 0.00 175.22 174.94 3gj4 s ASN 62 N 2.04 6.17 -0.21 1.36 0.01 0.14 -0.86 114.94 123.59 3gj4 s ASN 62 Ca 0.11 -0.25 -0.18 0.00 -0.71 0.00 0.00 52.86 51.83 3gj4 s ASN 62 Cb -0.19 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.89 3gj4 s ASN 62 CO 0.12 -1.79 0.50 -0.69 -1.51 0.00 0.00 177.10 173.74 3gj4 s VAL 63 N 5.77 5.11 -0.45 1.60 1.01 -0.05 -0.11 120.40 133.28 3gj4 s VAL 63 Ca 0.39 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 63.09 3gj4 s VAL 63 Cb -0.08 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3gj4 s VAL 63 CO 0.18 0.17 0.60 0.26 0.00 0.00 0.00 175.10 176.31 3gj4 s TRP 64 N 1.74 3.08 -0.15 5.22 0.52 0.31 -0.80 118.94 128.85 3gj4 s TRP 64 Ca 0.23 -0.21 -0.05 0.00 0.02 0.00 0.00 56.10 56.08 3gj4 s TRP 64 Cb -0.15 -3.30 -0.04 0.00 -1.15 0.00 0.00 33.47 28.83 3gj4 s TRP 64 CO 0.09 -0.87 0.04 0.34 0.02 0.00 0.00 176.95 176.57 3gj4 s ASP 65 N 2.10 5.48 0.81 2.95 2.15 -0.38 -2.67 116.67 127.11 3gj4 s ASP 65 Ca 0.19 0.10 -0.11 0.00 0.43 0.00 0.00 52.55 53.16 3gj4 s ASP 65 Cb -0.16 -1.83 0.08 0.00 -0.30 0.00 0.00 42.92 40.71 3gj4 s ASP 65 CO 0.17 0.24 1.10 0.42 -0.17 0.00 0.00 175.17 176.92 3gj4 s THR 66 N -0.06 3.07 -0.34 1.71 -4.23 -1.26 -1.55 115.64 112.97 3gj4 s THR 66 Ca 0.05 0.35 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 3gj4 s THR 66 Cb -0.12 -2.78 0.51 0.00 1.34 0.00 0.00 72.50 71.44 3gj4 s THR 66 CO 0.01 -0.45 1.67 0.00 -0.54 0.00 0.00 174.62 175.31 3gj4 n ALA 67 N -3.68 4.73 -0.22 3.99 0.00 -1.08 -4.79 120.51 119.46 3gj4 n ALA 67 Ca 0.09 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3gj4 n ALA 67 Cb 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3gj4 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gj4 n GLY 68 N -0.64 0.65 0.34 0.00 0.00 -1.26 -4.94 105.19 99.34 3gj4 n GLY 68 Ca 0.43 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.63 3gj4 n GLY 68 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gj4 h GLN 69 N 4.34 0.00 0.00 1.61 7.50 -1.92 -2.06 115.11 124.57 3gj4 h GLN 69 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3gj4 h GLN 69 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3gj4 h GLN 69 CO 0.00 0.00 0.05 1.05 -1.50 0.00 0.00 178.83 178.43 3gj4 h GLU 70 N 0.00 0.00 0.00 1.46 9.09 -1.92 -1.04 114.58 122.17 3gj4 h GLU 70 Ca 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.49 3gj4 h GLU 70 Cb 0.56 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.66 3gj4 h GLU 70 CO -0.00 0.00 -0.08 0.87 0.05 0.00 0.00 179.01 179.85 3gj4 h LYS 71 N 0.00 0.00 -0.17 1.06 1.57 -1.76 -3.26 116.57 114.00 3gj4 h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gj4 h LYS 71 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3gj4 h LYS 71 CO 0.00 0.08 0.00 1.19 -0.57 0.00 0.00 179.45 180.15 3gj4 n PHE 72 N -3.25 0.23 -2.46 -1.35 3.72 -0.39 -5.02 117.46 108.93 3gj4 n PHE 72 Ca -0.00 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 3gj4 n PHE 72 Cb 0.31 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 3gj4 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gj4 n GLY 73 N -0.02 -0.37 3.84 1.37 0.00 -1.23 -5.13 105.19 103.64 3gj4 n GLY 73 Ca 0.06 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 3gj4 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gj4 s GLY 74 N 0.00 1.63 0.34 -0.02 0.00 -1.26 -4.48 107.32 103.54 3gj4 s GLY 74 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 44.72 44.42 3gj4 s GLY 74 CO 0.00 0.16 0.65 1.08 0.00 0.00 0.00 173.10 174.98 3gj4 s LEU 75 N -5.55 3.95 0.57 0.66 1.43 -1.26 -4.93 118.68 113.56 3gj4 s LEU 75 Ca 0.59 0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 54.40 3gj4 s LEU 75 Cb -0.13 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 3gj4 s LEU 75 CO 0.53 -0.29 1.07 -0.13 0.23 0.00 0.00 176.35 177.76 3gj4 s ARG 76 N -3.73 3.35 0.22 1.70 0.52 -1.26 -4.95 118.95 114.80 3gj4 s ARG 76 Ca 0.47 1.30 -0.12 0.00 -0.52 0.00 0.00 55.73 56.87 3gj4 s ARG 76 Cb -0.10 -2.03 0.28 0.00 0.52 0.00 0.00 34.95 33.62 3gj4 s ARG 76 CO 0.31 -0.79 1.64 -0.44 0.02 0.00 0.00 175.30 176.03 3gj4 h ASP 77 N 0.70 -0.46 -0.11 0.23 5.19 -2.01 -0.50 116.42 119.46 3gj4 h ASP 77 Ca -0.48 0.18 0.03 0.00 -0.62 0.00 0.00 57.03 56.14 3gj4 h ASP 77 Cb 1.23 0.35 -0.00 0.00 0.18 0.00 0.00 39.33 41.08 3gj4 h ASP 77 CO 0.57 -0.18 0.29 1.23 -3.12 0.00 0.00 179.24 178.03 3gj4 h GLY 78 N 0.05 0.00 1.20 2.75 0.00 -1.95 0.21 103.07 105.33 3gj4 h GLY 78 Ca 0.33 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.47 3gj4 h GLY 78 CO -0.62 0.00 -0.55 -1.82 0.00 0.00 0.00 176.54 173.55 3gj4 h TYR 79 N 0.00 1.05 0.00 5.60 3.20 -1.45 -3.30 116.97 122.07 3gj4 h TYR 79 Ca 0.05 -0.38 -0.18 0.00 3.14 0.00 0.00 58.73 61.37 3gj4 h TYR 79 Cb 0.63 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 3gj4 h TYR 79 CO 0.00 1.20 -1.14 1.88 -1.64 0.00 0.00 178.16 178.46 3gj4 h TYR 80 N 0.64 0.00 -2.29 -3.82 0.05 -0.71 -3.46 116.97 107.39 3gj4 h TYR 80 Ca 0.01 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.21 3gj4 h TYR 80 Cb 1.16 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.95 3gj4 h TYR 80 CO 0.07 0.70 0.84 -0.89 -1.05 0.00 0.00 178.16 177.83 3gj4 n ILE 81 N -3.09 0.04 -1.00 -2.88 5.41 -0.48 -1.51 119.36 115.86 3gj4 n ILE 81 Ca -0.06 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3gj4 n ILE 81 Cb 0.86 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 3gj4 n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gj4 n GLN 82 N 3.70 -0.99 -1.75 0.38 1.13 -1.26 -4.98 117.38 113.62 3gj4 n GLN 82 Ca 0.17 0.25 -0.42 0.00 -1.94 0.00 0.00 57.00 55.06 3gj4 n GLN 82 Cb 0.29 -4.00 -0.00 0.00 0.11 0.00 0.00 30.24 26.64 3gj4 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gj4 n ALA 83 N 1.00 2.02 0.44 -1.58 0.00 -0.57 -4.65 120.51 117.16 3gj4 n ALA 83 Ca 0.00 0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.84 3gj4 n ALA 83 Cb 0.25 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.27 3gj4 n ALA 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gj4 n GLN 84 N 0.70 3.03 -3.64 0.00 6.02 0.47 -4.99 117.38 118.97 3gj4 n GLN 84 Ca 0.03 -0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 56.96 3gj4 n GLN 84 Cb 0.37 -1.04 -0.01 0.00 1.02 0.00 0.00 30.24 30.58 3gj4 n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj4 s ALA 86 N -3.06 -0.73 -0.16 0.00 0.00 -0.82 -2.27 121.76 114.73 3gj4 s ALA 86 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.08 3gj4 s ALA 86 Cb -0.00 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3gj4 s ALA 86 CO -0.03 -0.44 -0.16 0.42 0.00 0.00 0.00 175.76 175.55 3gj4 s ILE 87 N -2.69 2.57 -0.26 0.00 1.01 -0.72 -1.36 121.20 119.74 3gj4 s ILE 87 Ca -0.04 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 3gj4 s ILE 87 Cb -0.00 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3gj4 s ILE 87 CO -0.04 0.52 0.17 -0.63 0.00 0.00 0.00 174.94 174.95 3gj4 s ILE 88 N 0.87 5.24 -0.02 2.92 1.01 0.11 -1.26 121.20 130.07 3gj4 s ILE 88 Ca -0.04 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3gj4 s ILE 88 Cb -0.15 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3gj4 s ILE 88 CO -0.01 0.29 -0.09 -0.32 0.00 0.00 0.00 174.94 174.81 3gj4 s MET 89 N 1.48 2.56 0.34 2.79 1.75 0.76 -0.11 119.30 128.88 3gj4 s MET 89 Ca 0.07 -0.69 0.04 0.00 -1.25 0.00 0.00 55.69 53.86 3gj4 s MET 89 Cb -0.15 -2.48 -0.04 0.00 2.84 0.00 0.00 34.83 35.01 3gj4 s MET 89 CO 0.08 0.62 0.14 -0.59 -0.65 0.00 0.00 175.02 174.62 3gj4 s PHE 90 N -0.89 1.72 -0.25 4.11 -0.71 -0.30 -3.91 117.98 117.75 3gj4 s PHE 90 Ca 0.14 -1.29 -0.05 0.00 -1.04 0.00 0.00 56.93 54.69 3gj4 s PHE 90 Cb -0.11 -1.01 0.00 0.00 -1.21 0.00 0.00 43.02 40.69 3gj4 s PHE 90 CO 0.04 -0.38 0.01 0.34 -1.34 0.00 0.00 175.22 173.89 3gj4 s ASP 91 N -3.47 4.67 0.21 1.98 -1.08 -1.26 -0.90 116.67 116.82 3gj4 s ASP 91 Ca 0.32 -0.55 0.17 0.00 -0.52 0.00 0.00 52.55 51.97 3gj4 s ASP 91 Cb 0.05 -1.79 0.84 0.00 -1.46 0.00 0.00 42.92 40.55 3gj4 s ASP 91 CO 0.16 -0.10 1.53 1.33 0.52 0.00 0.00 175.17 178.62 3gj4 n VAL 92 N 4.81 1.15 1.15 1.11 0.24 -0.80 -0.58 118.33 125.40 3gj4 n VAL 92 Ca -0.16 0.49 0.13 0.00 -2.04 0.00 0.00 64.34 62.75 3gj4 n VAL 92 Cb 0.49 -1.44 0.32 0.00 -1.47 0.00 0.00 33.84 31.74 3gj4 n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gj4 n THR 93 N -2.03 0.09 -3.59 3.34 -2.24 -1.26 -0.33 114.28 108.25 3gj4 n THR 93 Ca 0.00 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 3gj4 n THR 93 Cb 0.10 0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 69.07 3gj4 n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gj4 s SER 94 N -1.88 3.61 0.43 3.42 0.15 0.25 -4.74 113.70 114.94 3gj4 s SER 94 Ca 0.34 -1.54 0.13 0.00 0.70 0.00 0.00 55.95 55.58 3gj4 s SER 94 Cb 0.20 -0.52 1.01 0.00 -1.71 0.00 0.00 66.02 65.00 3gj4 s SER 94 CO 0.31 -0.41 1.99 0.03 1.20 0.00 0.00 173.24 176.36 3gj4 h ARG 95 N 8.10 0.42 -0.54 5.44 3.08 -1.86 -1.21 114.38 127.80 3gj4 h ARG 95 Ca -0.15 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 3gj4 h ARG 95 Cb 1.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 3gj4 h ARG 95 CO 0.43 0.28 0.13 -0.24 -1.07 0.00 0.00 179.97 179.49 3gj4 h VAL 96 N 0.43 1.23 -0.58 2.04 3.04 -1.95 -0.29 116.25 120.17 3gj4 h VAL 96 Ca 0.26 -0.82 -0.04 0.00 -1.01 0.00 0.00 66.70 65.09 3gj4 h VAL 96 Cb 0.47 0.68 -0.03 0.00 -2.01 0.00 0.00 31.29 30.40 3gj4 h VAL 96 CO -0.07 0.30 0.19 0.71 -1.01 0.00 0.00 177.57 177.69 3gj4 h THR 97 N 0.80 1.22 -0.42 3.17 1.35 -1.53 -1.04 112.91 116.46 3gj4 h THR 97 Ca 0.18 -0.74 -0.06 0.00 -0.55 0.00 0.00 66.41 65.23 3gj4 h THR 97 Cb 0.30 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 67.27 3gj4 h THR 97 CO -0.00 0.29 0.03 0.22 -0.25 0.00 0.00 175.52 175.81 3gj4 h TYR 98 N 0.85 0.77 -0.35 4.73 3.20 -1.34 -2.89 116.97 121.94 3gj4 h TYR 98 Ca 0.19 -0.12 0.10 0.00 3.14 0.00 0.00 58.73 62.04 3gj4 h TYR 98 Cb 0.23 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3gj4 h TYR 98 CO 0.01 0.76 0.25 0.87 -1.64 0.00 0.00 178.16 178.42 3gj4 h LYS 99 N 0.56 0.00 -0.00 1.82 1.57 -0.41 -0.72 116.57 119.38 3gj4 h LYS 99 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gj4 h LYS 99 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3gj4 h LYS 99 CO 0.01 0.00 -0.11 0.09 -0.57 0.00 0.00 179.45 178.88 3gj4 n ASN 100 N -4.40 0.15 -0.13 0.86 5.03 -0.46 -4.22 115.26 112.10 3gj4 n ASN 100 Ca 0.05 0.16 -0.04 0.00 0.87 0.00 0.00 54.58 55.62 3gj4 n ASN 100 Cb 0.43 -0.28 0.02 0.00 -1.02 0.00 0.00 39.78 38.93 3gj4 n ASN 100 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3gj4 h VAL 101 N 0.06 0.53 -0.19 2.41 2.07 -1.05 -1.78 116.25 118.30 3gj4 h VAL 101 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3gj4 h VAL 101 Cb 0.46 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3gj4 h VAL 101 CO 0.00 0.00 0.14 -0.65 0.02 0.00 0.00 177.57 177.08 3gj4 h PRO 102 N -0.03 0.03 -0.31 1.57 0.11 -1.78 -1.45 132.00 130.14 3gj4 h PRO 102 Ca 0.21 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.19 3gj4 h PRO 102 Cb 0.34 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 3gj4 h PRO 102 CO -0.46 0.02 -0.30 -0.91 -0.21 0.00 0.00 178.00 176.14 3gj4 h ASN 103 N 0.03 0.80 -0.07 -2.05 2.35 -1.60 0.66 115.58 115.69 3gj4 h ASN 103 Ca 0.09 -0.47 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 3gj4 h ASN 103 Cb 0.32 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3gj4 h ASN 103 CO -0.00 1.10 0.03 -0.50 -1.65 0.00 0.00 177.43 176.41 3gj4 h TRP 104 N 0.51 0.11 -0.43 1.19 4.06 -1.18 0.65 115.95 120.86 3gj4 h TRP 104 Ca 0.05 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.07 3gj4 h TRP 104 Cb 0.88 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.93 3gj4 h TRP 104 CO 0.07 0.25 -0.03 1.25 -3.56 0.00 0.00 178.44 176.42 3gj4 h HIS 105 N -0.06 -0.09 -0.17 0.49 2.76 -1.28 0.24 115.15 117.04 3gj4 h HIS 105 Ca 0.02 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 3gj4 h HIS 105 Cb 0.19 0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 3gj4 h HIS 105 CO -0.01 -0.12 -0.33 -0.09 -1.30 0.00 0.00 177.93 176.08 3gj4 h ARG 106 N 0.07 -0.37 -0.64 5.26 2.43 -0.49 -0.25 114.38 120.39 3gj4 h ARG 106 Ca 0.21 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3gj4 h ARG 106 Cb 0.32 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3gj4 h ARG 106 CO -0.39 -0.24 0.19 -0.44 -1.51 0.00 0.00 179.97 177.58 3gj4 h ASP 107 N -0.38 0.91 0.35 -3.80 3.32 -0.10 -1.78 116.42 114.94 3gj4 h ASP 107 Ca 0.11 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3gj4 h ASP 107 Cb 0.55 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3gj4 h ASP 107 CO -0.38 0.86 -0.17 0.25 -1.72 0.00 0.00 179.24 178.08 3gj4 h LEU 108 N 0.95 -0.39 -1.28 1.55 5.85 -0.24 -3.25 115.31 118.50 3gj4 h LEU 108 Ca 0.21 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3gj4 h LEU 108 Cb 0.28 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3gj4 h LEU 108 CO -0.01 -0.09 0.10 0.58 -0.34 0.00 0.00 178.44 178.68 3gj4 h VAL 109 N -0.71 1.18 -0.68 1.05 2.07 -0.95 0.52 116.25 118.73 3gj4 h VAL 109 Ca -0.05 -0.64 0.18 0.00 0.82 0.00 0.00 66.70 67.01 3gj4 h VAL 109 Cb 0.49 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3gj4 h VAL 109 CO 0.08 0.23 0.48 -0.09 0.02 0.00 0.00 177.57 178.29 3gj4 h ARG 110 N 0.58 0.12 0.00 1.57 2.43 -1.35 -2.85 114.38 114.87 3gj4 h ARG 110 Ca 0.14 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 3gj4 h ARG 110 Cb 0.22 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3gj4 h ARG 110 CO -0.00 0.08 -1.83 0.28 -1.51 0.00 0.00 179.97 176.98 3gj4 n VAL 111 N -4.39 0.65 -3.91 0.20 0.31 -0.63 -4.88 118.33 105.68 3gj4 n VAL 111 Ca 0.13 -0.49 -0.30 0.00 -0.01 0.00 0.00 64.34 63.66 3gj4 n VAL 111 Cb 0.67 -0.42 -0.15 0.00 -0.91 0.00 0.00 33.84 33.04 3gj4 n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gj4 s GLU 113 N 0.82 3.37 -1.63 0.00 8.01 -1.24 -3.97 118.70 124.06 3gj4 s GLU 113 Ca 0.12 0.81 0.00 0.00 0.01 0.00 0.00 54.97 55.92 3gj4 s GLU 113 Cb -0.20 -4.11 0.00 0.00 -4.31 0.00 0.00 34.13 25.50 3gj4 s GLU 113 CO -0.10 -1.83 0.00 -1.71 0.01 0.00 0.00 175.26 171.63 3gj4 n ASN 114 N 9.61 -4.94 -4.72 -0.19 5.15 -1.26 -4.99 115.26 113.92 3gj4 n ASN 114 Ca 0.16 0.27 -0.34 0.00 -0.60 0.00 0.00 54.58 54.07 3gj4 n ASN 114 Cb 0.49 -3.93 0.10 0.00 -0.53 0.00 0.00 39.78 35.90 3gj4 n ASN 114 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3gj4 s ILE 115 N -2.68 2.33 0.22 -1.44 -4.36 -1.26 -4.92 121.20 109.10 3gj4 s ILE 115 Ca 0.00 0.15 -0.31 0.00 -0.26 0.00 0.00 60.65 60.23 3gj4 s ILE 115 Cb 0.00 -2.67 -0.11 0.00 1.25 0.00 0.00 42.46 40.94 3gj4 s ILE 115 CO 0.00 -0.09 1.57 -2.84 0.24 0.00 0.00 174.94 173.82 3gj4 s PRO 116 N -4.02 4.19 -0.03 0.37 0.02 -1.26 -4.88 135.00 129.39 3gj4 s PRO 116 Ca 0.73 2.44 0.02 0.00 0.02 0.00 0.00 61.00 64.21 3gj4 s PRO 116 Cb -0.28 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.15 3gj4 s PRO 116 CO 0.47 -0.59 -0.08 0.42 -0.33 0.00 0.00 177.00 176.88 3gj4 s ILE 117 N 0.60 0.72 -0.15 2.83 1.01 -1.26 -1.94 121.20 123.01 3gj4 s ILE 117 Ca 0.67 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 3gj4 s ILE 117 Cb -0.45 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 3gj4 s ILE 117 CO 0.38 0.23 -0.05 -0.69 0.00 0.00 0.00 174.94 174.82 3gj4 s VAL 118 N 0.29 3.82 -0.11 2.92 1.01 -0.47 -3.10 120.40 124.76 3gj4 s VAL 118 Ca -0.04 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 3gj4 s VAL 118 Cb -0.09 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 3gj4 s VAL 118 CO 0.00 0.50 0.42 -0.22 0.00 0.00 0.00 175.10 175.80 3gj4 s LEU 119 N 0.35 4.30 -0.12 3.92 2.96 0.75 -0.71 118.68 130.14 3gj4 s LEU 119 Ca -0.05 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 3gj4 s LEU 119 Cb -0.14 -2.60 0.02 0.00 0.50 0.00 0.00 46.19 43.97 3gj4 s LEU 119 CO 0.03 0.08 -0.12 0.00 -1.32 0.00 0.00 176.35 175.03 3gj4 s GLY 121 N 1.34 1.83 0.60 0.00 0.00 -0.88 -1.16 107.32 109.05 3gj4 s GLY 121 Ca -0.00 -1.90 -0.06 0.00 0.00 0.00 0.00 44.72 42.76 3gj4 s GLY 121 CO -0.06 1.42 0.91 0.21 0.00 0.00 0.00 173.10 175.57 3gj4 s ASN 122 N 2.85 5.56 -0.62 1.64 2.47 -0.08 -1.06 114.94 125.69 3gj4 s ASN 122 Ca 0.12 0.70 0.00 0.00 0.42 0.00 0.00 52.86 54.10 3gj4 s ASN 122 Cb -0.21 -1.67 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 3gj4 s ASN 122 CO 0.10 -1.09 0.00 0.29 -3.72 0.00 0.00 177.10 172.68 3gj4 n LYS 123 N -2.60 -0.57 0.12 0.43 5.02 -0.69 -1.91 118.16 117.97 3gj4 n LYS 123 Ca 0.05 0.37 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 3gj4 n LYS 123 Cb 0.58 -4.26 0.48 0.00 -0.02 0.00 0.00 35.03 31.80 3gj4 n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3gj4 n VAL 124 N -3.93 0.97 0.30 -0.18 0.24 -1.10 -1.73 118.33 112.91 3gj4 n VAL 124 Ca -0.08 0.40 0.19 0.00 -2.04 0.00 0.00 64.34 62.81 3gj4 n VAL 124 Cb 0.54 -1.35 0.88 0.00 -1.47 0.00 0.00 33.84 32.45 3gj4 n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3gj4 h ASP 125 N 0.00 0.00 -3.30 -1.34 2.03 -1.91 -3.42 116.42 108.48 3gj4 h ASP 125 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3gj4 h ASP 125 Cb 0.22 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.66 3gj4 h ASP 125 CO 0.00 0.00 0.84 -0.63 -1.03 0.00 0.00 179.24 178.42 3gj4 s ILE 126 N -3.83 4.52 0.58 4.15 1.01 -0.71 -4.90 121.20 122.02 3gj4 s ILE 126 Ca -0.01 1.74 0.27 0.00 0.00 0.00 0.00 60.65 62.65 3gj4 s ILE 126 Cb 0.10 -4.41 0.36 0.00 0.01 0.00 0.00 42.46 38.52 3gj4 s ILE 126 CO 0.48 -0.47 2.09 0.11 0.00 0.00 0.00 174.94 177.15 3gj4 h LYS 127 N 8.07 0.00 -3.93 2.79 1.79 -1.89 -3.29 116.57 120.10 3gj4 h LYS 127 Ca -0.20 0.00 -0.78 0.00 -2.18 0.00 0.00 60.65 57.49 3gj4 h LYS 127 Cb 1.06 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.48 3gj4 h LYS 127 CO 1.03 0.00 0.93 -3.47 -1.08 0.00 0.00 179.45 176.86 3gj4 n ASP 128 N -3.94 5.47 -4.75 0.86 2.03 -1.26 -5.01 116.55 109.96 3gj4 n ASP 128 Ca 0.02 -3.06 -0.40 0.00 0.52 0.00 0.00 54.79 51.88 3gj4 n ASP 128 Cb 0.35 -1.45 -0.05 0.00 -0.72 0.00 0.00 41.12 39.25 3gj4 n ASP 128 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3gj4 s ARG 129 N -0.28 4.47 -0.22 -0.67 3.52 -1.24 -4.76 118.95 119.76 3gj4 s ARG 129 Ca 0.36 1.01 -0.07 0.00 -0.13 0.00 0.00 55.73 56.90 3gj4 s ARG 129 Cb -0.05 -3.35 -0.11 0.00 -1.56 0.00 0.00 34.95 29.88 3gj4 s ARG 129 CO -0.03 0.32 -0.25 1.63 -0.81 0.00 0.00 175.30 176.16 3gj4 n LYS 130 N 2.71 0.49 -3.06 5.12 4.76 -0.05 -4.84 118.16 123.28 3gj4 n LYS 130 Ca -0.03 0.18 -0.44 0.00 -2.87 0.00 0.00 58.31 55.14 3gj4 n LYS 130 Cb 0.50 -1.34 -0.04 0.00 -1.84 0.00 0.00 35.03 32.31 3gj4 n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gj4 s VAL 131 N -2.41 4.72 0.43 -0.18 1.01 0.55 -4.99 120.40 119.51 3gj4 s VAL 131 Ca -0.30 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 60.89 3gj4 s VAL 131 Cb 0.10 -4.52 0.01 0.00 0.00 0.00 0.00 36.38 31.97 3gj4 s VAL 131 CO 0.42 -1.18 0.59 -0.54 0.00 0.00 0.00 175.10 174.39 3gj4 s LYS 132 N 2.98 2.87 0.30 2.72 1.02 -1.26 -4.85 119.74 123.52 3gj4 s LYS 132 Ca 0.14 -1.02 0.06 0.00 0.02 0.00 0.00 55.97 55.17 3gj4 s LYS 132 Cb -0.22 -2.70 0.82 0.00 -0.52 0.00 0.00 37.83 35.20 3gj4 s LYS 132 CO 0.07 -0.27 1.68 0.00 -0.92 0.00 0.00 175.35 175.91 3gj4 h ALA 133 N 0.57 1.55 -0.55 5.17 0.00 -1.93 0.86 119.26 124.93 3gj4 h ALA 133 Ca -0.42 0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3gj4 h ALA 133 Cb 1.27 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3gj4 h ALA 133 CO 0.49 -0.42 0.36 0.87 0.00 0.00 0.00 179.25 180.56 3gj4 h LYS 134 N 0.35 0.61 0.00 0.00 1.79 -1.95 -2.52 116.57 114.86 3gj4 h LYS 134 Ca 0.61 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 3gj4 h LYS 134 Cb 1.23 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 3gj4 h LYS 134 CO -0.57 0.41 -0.53 0.77 -1.08 0.00 0.00 179.45 178.44 3gj4 h SER 135 N 0.63 0.00 -3.59 0.86 0.02 -1.21 -3.45 113.55 106.81 3gj4 h SER 135 Ca 0.22 -0.10 -0.60 0.00 -0.84 0.00 0.00 61.79 60.47 3gj4 h SER 135 Cb 0.10 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.54 3gj4 h SER 135 CO -0.06 0.05 0.58 -0.63 -1.14 0.00 0.00 176.83 175.63 3gj4 s ILE 136 N -3.21 4.53 0.00 3.27 1.01 -0.95 -4.77 121.20 121.08 3gj4 s ILE 136 Ca 0.05 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.63 3gj4 s ILE 136 Cb 0.11 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3gj4 s ILE 136 CO 0.71 -0.69 0.00 0.52 0.00 0.00 0.00 174.94 175.48 3gj4 n VAL 137 N 6.21 0.00 -0.27 2.92 0.31 -1.26 -4.90 118.33 121.34 3gj4 n VAL 137 Ca 0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.38 3gj4 n VAL 137 Cb 0.48 0.31 0.17 0.00 -0.91 0.00 0.00 33.84 33.90 3gj4 n VAL 137 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3gj4 h PHE 138 N 0.00 1.07 -0.59 3.52 3.57 -2.00 -2.77 116.94 119.74 3gj4 h PHE 138 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 3gj4 h PHE 138 Cb 0.00 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.36 3gj4 h PHE 138 CO 0.00 0.72 0.39 1.12 -2.23 0.00 0.00 178.31 178.31 3gj4 h HIS 139 N 1.12 0.74 0.00 0.41 2.07 -1.91 -1.99 115.15 115.60 3gj4 h HIS 139 Ca 0.29 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 3gj4 h HIS 139 Cb -0.03 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 29.70 3gj4 h HIS 139 CO 0.01 0.46 0.00 0.54 -3.07 0.00 0.00 177.93 175.87 3gj4 n ARG 140 N -4.45 0.03 -0.08 5.12 1.74 -1.04 -1.05 116.66 116.93 3gj4 n ARG 140 Ca 0.06 0.33 -0.10 0.00 -0.77 0.00 0.00 57.85 57.37 3gj4 n ARG 140 Cb 0.05 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.94 3gj4 n ARG 140 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3gj4 n LYS 141 N -1.40 0.49 -0.94 5.56 4.01 -0.75 -4.50 118.16 120.63 3gj4 n LYS 141 Ca 0.02 0.51 -0.12 0.00 -0.51 0.00 0.00 58.31 58.21 3gj4 n LYS 141 Cb 0.05 -1.68 0.21 0.00 -0.51 0.00 0.00 35.03 33.10 3gj4 n LYS 141 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 3gj4 n LYS 142 N -4.54 2.77 -3.41 1.97 0.00 -1.19 -4.89 118.16 108.87 3gj4 n LYS 142 Ca -0.16 -2.57 -0.20 0.00 0.00 0.00 0.00 58.31 55.39 3gj4 n LYS 142 Cb 0.42 -2.04 0.07 0.00 0.00 0.00 0.00 35.03 33.48 3gj4 n LYS 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3gj4 n ASN 143 N -0.43 -4.92 -4.89 3.14 5.03 -1.12 -5.01 115.26 107.07 3gj4 n ASN 143 Ca 0.42 -0.49 -0.35 0.00 0.87 0.00 0.00 54.58 55.03 3gj4 n ASN 143 Cb 1.35 -4.51 -0.05 0.00 -1.02 0.00 0.00 39.78 35.55 3gj4 n ASN 143 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gj4 s LEU 144 N -6.38 4.38 0.20 3.41 1.02 -0.22 -4.79 118.68 116.30 3gj4 s LEU 144 Ca 0.39 0.52 -0.15 0.00 0.02 0.00 0.00 54.13 54.91 3gj4 s LEU 144 Cb -0.17 -2.57 -0.08 0.00 0.02 0.00 0.00 46.19 43.39 3gj4 s LEU 144 CO 0.64 0.28 0.61 -1.58 0.02 0.00 0.00 176.35 176.32 3gj4 s GLN 145 N -1.67 4.00 0.06 1.70 2.00 -1.18 -4.38 119.66 120.19 3gj4 s GLN 145 Ca 0.26 0.55 0.09 0.00 -2.00 0.00 0.00 55.36 54.26 3gj4 s GLN 145 Cb -0.13 -2.79 -0.03 0.00 0.80 0.00 0.00 33.01 30.86 3gj4 s GLN 145 CO 0.15 0.38 -0.26 -0.47 -0.50 0.00 0.00 175.29 174.59 3gj4 s TYR 146 N -1.62 2.28 -0.06 1.67 5.04 -1.26 -0.18 117.35 123.22 3gj4 s TYR 146 Ca 0.43 -0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 54.62 3gj4 s TYR 146 Cb -0.14 -1.35 0.03 0.00 0.35 0.00 0.00 41.96 40.86 3gj4 s TYR 146 CO 0.20 0.15 0.15 0.71 -1.34 0.00 0.00 175.55 175.42 3gj4 s TYR 147 N -0.84 -0.17 0.19 4.97 2.02 -0.71 -4.98 117.35 117.83 3gj4 s TYR 147 Ca 0.12 0.47 -0.31 0.00 -0.37 0.00 0.00 57.07 56.98 3gj4 s TYR 147 Cb -0.10 -0.05 -0.09 0.00 -0.40 0.00 0.00 41.96 41.32 3gj4 s TYR 147 CO 0.03 -0.15 1.46 -0.51 -1.57 0.00 0.00 175.55 174.80 3gj4 s ASP 148 N 0.94 6.69 0.13 2.29 1.01 -1.26 -2.07 116.67 124.40 3gj4 s ASP 148 Ca -0.07 2.56 0.03 0.00 0.71 0.00 0.00 52.55 55.77 3gj4 s ASP 148 Cb -0.09 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 3gj4 s ASP 148 CO -0.05 -0.71 -0.06 0.27 0.21 0.00 0.00 175.17 174.83 3gj4 s ILE 149 N 0.60 0.84 -0.27 0.77 -4.36 -0.23 -4.71 121.20 113.85 3gj4 s ILE 149 Ca 0.64 -1.99 -0.04 0.00 -0.26 0.00 0.00 60.65 59.00 3gj4 s ILE 149 Cb -0.41 -1.86 0.09 0.00 1.25 0.00 0.00 42.46 41.54 3gj4 s ILE 149 CO 0.36 -0.72 0.12 -0.55 0.24 0.00 0.00 174.94 174.39 3gj4 s SER 150 N -3.12 3.31 0.31 4.36 0.15 -1.03 -1.71 113.70 115.97 3gj4 s SER 150 Ca 0.17 -1.16 0.01 0.00 0.70 0.00 0.00 55.95 55.66 3gj4 s SER 150 Cb 0.05 -0.35 0.54 0.00 -1.71 0.00 0.00 66.02 64.55 3gj4 s SER 150 CO -0.01 -0.42 1.92 0.00 1.20 0.00 0.00 173.24 175.93 3gj4 h ALA 151 N 8.40 1.52 -0.08 5.45 0.00 -1.92 -1.67 119.26 130.95 3gj4 h ALA 151 Ca -0.19 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3gj4 h ALA 151 Cb 1.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3gj4 h ALA 151 CO 0.41 0.35 -0.42 0.87 0.00 0.00 0.00 179.25 180.46 3gj4 h LYS 152 N 1.01 0.18 -0.17 0.00 1.79 -1.93 -2.95 116.57 114.50 3gj4 h LYS 152 Ca 0.38 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 3gj4 h LYS 152 Cb 0.19 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3gj4 h LYS 152 CO -0.14 0.57 0.00 -1.13 -1.08 0.00 0.00 179.45 177.67 3gj4 n SER 153 N -4.02 3.02 0.00 0.86 3.41 -1.03 -0.60 113.62 115.25 3gj4 n SER 153 Ca -0.02 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 3gj4 n SER 153 Cb 0.47 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3gj4 n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gj4 n ASN 154 N 1.29 -4.30 -4.68 4.04 3.02 -0.68 -4.73 115.26 109.21 3gj4 n ASN 154 Ca 0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.29 3gj4 n ASN 154 Cb 0.58 -2.85 -0.03 0.00 -0.61 0.00 0.00 39.78 36.86 3gj4 n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gj4 n TYR 155 N -2.11 2.58 -1.39 3.10 9.36 -0.89 -1.89 117.16 125.91 3gj4 n TYR 155 Ca 0.00 -0.16 -0.14 0.00 3.32 0.00 0.00 57.90 60.93 3gj4 n TYR 155 Cb 0.33 -2.73 -0.06 0.00 -0.63 0.00 0.00 39.34 36.25 3gj4 n TYR 155 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3gj4 n ASN 156 N 5.89 -5.32 -0.30 2.98 3.02 -1.26 -2.46 115.26 117.81 3gj4 n ASN 156 Ca 0.19 0.34 0.13 0.00 -0.03 0.00 0.00 54.58 55.20 3gj4 n ASN 156 Cb 0.37 -4.01 0.30 0.00 -0.61 0.00 0.00 39.78 35.83 3gj4 n ASN 156 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gj4 h PHE 157 N 0.00 0.64 0.00 3.10 3.57 -1.72 -2.01 116.94 120.51 3gj4 h PHE 157 Ca -0.28 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.24 3gj4 h PHE 157 Cb 1.11 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3gj4 h PHE 157 CO 0.53 -0.05 -0.19 1.05 -2.23 0.00 0.00 178.31 177.42 3gj4 h GLU 158 N 0.40 0.00 -0.03 1.11 9.09 -1.90 -3.39 114.58 119.86 3gj4 h GLU 158 Ca 0.55 0.00 0.04 0.00 0.05 0.00 0.00 59.36 60.00 3gj4 h GLU 158 Cb 1.05 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.10 3gj4 h GLU 158 CO -0.53 0.11 -0.28 0.87 0.05 0.00 0.00 179.01 179.24 3gj4 h LYS 159 N 0.00 -0.39 -0.79 1.06 1.79 -1.77 0.23 116.57 116.71 3gj4 h LYS 159 Ca -0.00 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.59 3gj4 h LYS 159 Cb 1.09 0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.76 3gj4 h LYS 159 CO 0.02 -0.26 0.44 -1.35 -1.08 0.00 0.00 179.45 177.22 3gj4 h PRO 160 N -0.40 0.72 -0.25 3.15 0.11 -1.75 -1.24 132.00 132.33 3gj4 h PRO 160 Ca 0.07 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.01 3gj4 h PRO 160 Cb 0.50 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 3gj4 h PRO 160 CO -0.26 0.47 -0.39 0.74 -0.21 0.00 0.00 178.00 178.36 3gj4 h PHE 161 N 0.74 0.69 -0.11 0.65 0.04 -1.66 -1.66 116.94 115.63 3gj4 h PHE 161 Ca 0.38 -0.20 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 3gj4 h PHE 161 Cb 0.37 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 3gj4 h PHE 161 CO -0.07 0.88 -0.02 1.25 -0.60 0.00 0.00 178.31 179.75 3gj4 h LEU 162 N 0.48 0.20 -0.55 1.54 5.85 -0.47 -1.20 115.31 121.17 3gj4 h LEU 162 Ca 0.04 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3gj4 h LEU 162 Cb 0.89 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3gj4 h LEU 162 CO 0.08 0.52 0.33 -0.25 -0.34 0.00 0.00 178.44 178.77 3gj4 h TRP 163 N -0.11 0.62 -0.44 1.25 7.01 -1.17 -1.45 115.95 121.66 3gj4 h TRP 163 Ca 0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 3gj4 h TRP 163 Cb 0.42 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 3gj4 h TRP 163 CO 0.05 0.36 0.25 -0.07 -2.79 0.00 0.00 178.44 176.24 3gj4 h LEU 164 N 0.66 0.54 -0.28 0.65 3.38 -1.27 -1.47 115.31 117.50 3gj4 h LEU 164 Ca 0.22 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3gj4 h LEU 164 Cb 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3gj4 h LEU 164 CO -0.09 0.45 0.10 0.00 0.09 0.00 0.00 178.44 178.99 3gj4 h ALA 165 N 1.11 0.32 -0.68 1.53 0.00 -0.90 0.03 119.26 120.66 3gj4 h ALA 165 Ca 0.16 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3gj4 h ALA 165 Cb 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3gj4 h ALA 165 CO -0.03 -0.30 0.39 0.00 0.00 0.00 0.00 179.25 179.31 3gj4 h ARG 166 N 0.23 0.71 -0.31 0.00 3.08 -0.97 -0.08 114.38 117.03 3gj4 h ARG 166 Ca 0.13 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 3gj4 h ARG 166 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3gj4 h ARG 166 CO -0.13 0.47 -0.08 0.87 -1.07 0.00 0.00 179.97 180.03 3gj4 h LYS 167 N 0.73 0.61 -0.12 0.04 1.79 -0.76 0.42 116.57 119.27 3gj4 h LYS 167 Ca 0.30 -0.23 -0.20 0.00 -2.18 0.00 0.00 60.65 58.33 3gj4 h LYS 167 Cb 0.16 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3gj4 h LYS 167 CO -0.17 0.79 -0.75 -0.07 -1.08 0.00 0.00 179.45 178.17 3gj4 h LEU 168 N 0.38 0.72 0.02 2.94 3.38 -0.82 -3.18 115.31 118.76 3gj4 h LEU 168 Ca 0.08 -0.47 -0.22 0.00 0.09 0.00 0.00 57.88 57.36 3gj4 h LEU 168 Cb 0.57 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3gj4 h LEU 168 CO 0.03 1.24 -1.06 0.40 0.09 0.00 0.00 178.44 179.14 3gj4 h ILE 169 N 0.42 1.66 -0.85 1.22 1.08 -1.04 -3.48 117.51 116.52 3gj4 h ILE 169 Ca -0.04 -3.36 0.00 0.00 -0.39 0.00 0.00 64.86 61.07 3gj4 h ILE 169 Cb 1.35 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 37.94 3gj4 h ILE 169 CO 0.14 0.95 0.00 0.61 -0.69 0.00 0.00 178.15 179.16 3gj4 n GLY 170 N 1.38 0.91 2.65 5.37 0.00 0.08 -5.05 105.19 110.53 3gj4 n GLY 170 Ca -0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 3gj4 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gj4 s ASP 171 N -2.95 3.78 0.64 1.61 -1.08 -0.87 -4.99 116.67 112.82 3gj4 s ASP 171 Ca 0.00 -1.64 0.42 0.00 -0.52 0.00 0.00 52.55 50.81 3gj4 s ASP 171 Cb 0.00 -0.69 2.18 0.00 -1.46 0.00 0.00 42.92 42.95 3gj4 s ASP 171 CO 0.00 -0.41 2.28 1.55 0.52 0.00 0.00 175.17 179.12 3gj4 h PRO 172 N 8.02 0.00 -0.66 4.34 0.13 -1.97 -1.95 132.00 139.91 3gj4 h PRO 172 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3gj4 h PRO 172 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3gj4 h PRO 172 CO 0.45 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.31 3gj4 n ASN 173 N -3.08 4.01 -4.76 1.44 3.02 -1.26 -4.96 115.26 109.66 3gj4 n ASN 173 Ca -0.02 -2.22 -0.41 0.00 -0.03 0.00 0.00 54.58 51.90 3gj4 n ASN 173 Cb 0.13 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 3gj4 n ASN 173 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gj4 s LEU 174 N -1.38 4.38 0.03 3.41 2.96 -0.73 -5.02 118.68 122.33 3gj4 s LEU 174 Ca 0.46 2.80 0.03 0.00 -0.22 0.00 0.00 54.13 57.20 3gj4 s LEU 174 Cb 0.27 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 3gj4 s LEU 174 CO 0.26 -0.70 -0.09 -1.61 -1.32 0.00 0.00 176.35 172.89 3gj4 s GLU 175 N -1.37 0.61 -0.18 1.98 0.41 -1.26 -4.96 118.70 113.92 3gj4 s GLU 175 Ca 0.54 -0.65 -0.25 0.00 -0.41 0.00 0.00 54.97 54.20 3gj4 s GLU 175 Cb -0.43 -0.49 -0.01 0.00 -1.78 0.00 0.00 34.13 31.42 3gj4 s GLU 175 CO 0.53 0.11 0.83 -0.06 -0.49 0.00 0.00 175.26 176.17 3gj4 s PHE 176 N -0.99 3.40 0.25 1.61 0.08 -1.26 -0.72 117.98 120.35 3gj4 s PHE 176 Ca -0.04 1.23 0.08 0.00 0.12 0.00 0.00 56.93 58.31 3gj4 s PHE 176 Cb -0.08 -3.01 0.30 0.00 -0.57 0.00 0.00 43.02 39.66 3gj4 s PHE 176 CO 0.01 -0.27 1.58 -0.39 -0.10 0.00 0.00 175.22 176.05 3gj4 h VAL 177 N 5.23 1.43 -2.91 -0.44 -1.51 -0.47 -3.46 116.25 114.12 3gj4 h VAL 177 Ca -0.28 -2.09 -0.08 0.00 -1.23 0.00 0.00 66.70 63.01 3gj4 h VAL 177 Cb 1.12 2.11 -0.18 0.00 -2.13 0.00 0.00 31.29 32.21 3gj4 h VAL 177 CO 0.84 0.61 -0.11 0.00 -1.23 0.00 0.00 177.57 177.68 3gj4 s ALA 178 N -3.65 -1.05 0.35 5.19 0.00 -1.25 -5.09 121.76 116.26 3gj4 s ALA 178 Ca -0.02 0.43 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 3gj4 s ALA 178 Cb 0.12 0.24 -0.09 0.00 0.00 0.00 0.00 23.12 23.39 3gj4 s ALA 178 CO 0.78 -0.40 1.20 -1.64 0.00 0.00 0.00 175.76 175.70 3gj4 s MET 179 N -2.06 4.27 0.83 0.00 1.00 -1.26 -4.54 119.30 117.53 3gj4 s MET 179 Ca -0.08 1.96 -0.11 0.00 0.00 0.00 0.00 55.69 57.46 3gj4 s MET 179 Cb -0.02 -2.91 0.10 0.00 0.00 0.00 0.00 34.83 32.00 3gj4 s MET 179 CO 0.01 -0.17 1.14 -2.14 0.00 0.00 0.00 175.02 173.85 3gj4 s PRO 180 N -1.96 1.63 -0.10 2.03 0.02 -1.26 -4.93 135.00 130.43 3gj4 s PRO 180 Ca 0.52 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.71 3gj4 s PRO 180 Cb -0.34 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 3gj4 s PRO 180 CO 0.44 -2.16 1.43 0.00 -0.33 0.00 0.00 177.00 176.38 3gj4 s ALA 181 N -2.60 3.63 0.16 -1.55 0.00 -1.26 -5.00 121.76 115.14 3gj4 s ALA 181 Ca 0.66 0.70 0.09 0.00 0.00 0.00 0.00 51.96 53.42 3gj4 s ALA 181 Cb -0.22 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 3gj4 s ALA 181 CO 0.55 -1.22 -0.16 -0.51 0.00 0.00 0.00 175.76 174.42 3gj4 s LEU 182 N 3.55 2.76 0.20 0.00 1.43 -1.26 -2.39 118.68 122.97 3gj4 s LEU 182 Ca 0.63 -0.63 -0.32 0.00 -1.03 0.00 0.00 54.13 52.78 3gj4 s LEU 182 Cb -0.28 -1.51 -0.13 0.00 0.03 0.00 0.00 46.19 44.31 3gj4 s LEU 182 CO 0.22 0.14 1.65 0.00 0.23 0.00 0.00 176.35 178.58 3gj4 n ALA 183 N 0.37 2.26 -1.58 4.21 0.00 -0.51 -4.92 120.51 120.35 3gj4 n ALA 183 Ca -0.13 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.31 3gj4 n ALA 183 Cb 0.54 -2.45 0.01 0.00 0.00 0.00 0.00 19.45 17.55 3gj4 n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gj4 n PRO 184 N 3.49 1.18 -1.66 0.00 -0.02 -1.26 -4.85 135.00 131.89 3gj4 n PRO 184 Ca 0.15 0.43 -0.47 0.00 -2.02 0.00 0.00 63.50 61.59 3gj4 n PRO 184 Cb 0.33 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 3gj4 n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gj4 n PRO 185 N 0.20 2.01 0.02 0.52 -0.02 -1.26 -4.89 135.00 131.59 3gj4 n PRO 185 Ca 0.10 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3gj4 n PRO 185 Cb 0.39 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 3gj4 n PRO 185 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gj4 n GLU 186 N 3.17 0.63 -4.31 -0.52 1.02 0.23 -4.88 120.64 115.98 3gj4 n GLU 186 Ca 0.17 0.17 -0.17 0.00 -0.02 0.00 0.00 57.16 57.30 3gj4 n GLU 186 Cb 0.28 -1.76 -0.10 0.00 -0.02 0.00 0.00 31.44 29.84 3gj4 n GLU 186 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3gj4 s VAL 187 N -2.94 1.56 -0.18 2.62 -7.23 -1.19 -5.02 120.40 108.01 3gj4 s VAL 187 Ca -0.04 -2.11 -0.09 0.00 -1.81 0.00 0.00 61.98 57.93 3gj4 s VAL 187 Cb 0.09 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 3gj4 s VAL 187 CO 0.82 -0.60 0.13 -0.69 -0.31 0.00 0.00 175.10 174.45 3gj4 s VAL 188 N -2.93 5.40 -0.45 1.32 1.01 -1.26 -4.00 120.40 119.49 3gj4 s VAL 188 Ca 0.19 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 3gj4 s VAL 188 Cb -0.01 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.96 3gj4 s VAL 188 CO 0.05 0.48 0.60 -0.32 0.00 0.00 0.00 175.10 175.90 3gj4 s MET 189 N 0.09 3.21 -0.00 2.72 0.00 -1.26 -4.99 119.30 119.07 3gj4 s MET 189 Ca 0.09 -0.55 -0.35 0.00 0.00 0.00 0.00 55.69 54.88 3gj4 s MET 189 Cb -0.11 -3.98 -0.14 0.00 0.00 0.00 0.00 34.83 30.60 3gj4 s MET 189 CO -0.01 -1.02 1.69 -3.47 0.00 0.00 0.00 175.02 172.21 3gj4 n ASP 190 N 6.11 2.96 -0.03 1.11 2.03 -1.26 -4.90 116.55 122.58 3gj4 n ASP 190 Ca -0.04 1.04 0.01 0.00 0.52 0.00 0.00 54.79 56.32 3gj4 n ASP 190 Cb 0.47 -1.34 0.31 0.00 -0.72 0.00 0.00 41.12 39.84 3gj4 n ASP 190 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gj4 h PRO 191 N 7.20 0.59 -0.41 -0.67 0.11 -1.98 -0.63 132.00 136.22 3gj4 h PRO 191 Ca -0.47 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 65.46 3gj4 h PRO 191 Cb 1.28 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3gj4 h PRO 191 CO 0.91 0.54 -0.06 0.00 -0.21 0.00 0.00 178.00 179.18 3gj4 h ALA 192 N 1.54 0.56 -0.49 -0.75 0.00 -2.00 -1.51 119.26 116.60 3gj4 h ALA 192 Ca 0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3gj4 h ALA 192 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gj4 h ALA 192 CO -0.01 0.39 -0.17 1.25 0.00 0.00 0.00 179.25 180.72 3gj4 h LEU 193 N 0.58 1.00 -0.83 0.00 5.85 -1.89 -2.36 115.31 117.66 3gj4 h LEU 193 Ca 0.11 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3gj4 h LEU 193 Cb 0.56 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3gj4 h LEU 193 CO 0.03 1.16 0.55 0.00 -0.34 0.00 0.00 178.44 179.84 3gj4 h ALA 194 N 0.88 1.06 -0.39 1.25 0.00 -0.97 -0.53 119.26 120.56 3gj4 h ALA 194 Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3gj4 h ALA 194 Cb 0.74 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gj4 h ALA 194 CO 0.06 0.46 -0.13 0.00 0.00 0.00 0.00 179.25 179.63 3gj4 h ALA 195 N 1.31 0.54 -0.39 0.00 0.00 -1.19 -2.56 119.26 116.98 3gj4 h ALA 195 Ca 0.31 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gj4 h ALA 195 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3gj4 h ALA 195 CO -0.07 0.44 0.25 0.37 0.00 0.00 0.00 179.25 180.25 3gj4 h GLN 196 N 0.59 0.52 -0.64 0.00 4.15 -1.09 -0.97 115.11 117.66 3gj4 h GLN 196 Ca 0.09 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 3gj4 h GLN 196 Cb 0.67 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 3gj4 h GLN 196 CO 0.05 0.36 0.23 1.88 -1.93 0.00 0.00 178.83 179.42 3gj4 h TYR 197 N 0.52 0.96 -0.45 3.99 0.05 -1.05 0.96 116.97 121.96 3gj4 h TYR 197 Ca 0.14 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3gj4 h TYR 197 Cb -0.04 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.39 3gj4 h TYR 197 CO -0.04 0.75 0.19 0.93 -1.05 0.00 0.00 178.16 178.94 3gj4 h GLU 198 N 0.93 0.66 -0.46 4.88 5.08 -1.14 -0.94 114.58 123.59 3gj4 h GLU 198 Ca 0.21 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3gj4 h GLU 198 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3gj4 h GLU 198 CO -0.02 0.60 0.26 1.25 -1.00 0.00 0.00 179.01 180.11 3gj4 h HIS 199 N 0.58 0.63 -0.93 4.33 2.76 -0.51 -1.61 115.15 120.40 3gj4 h HIS 199 Ca 0.15 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 3gj4 h HIS 199 Cb 0.18 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 3gj4 h HIS 199 CO -0.00 0.46 0.61 -0.44 -1.30 0.00 0.00 177.93 177.26 3gj4 h ASP 200 N 0.61 1.00 -0.63 3.26 3.32 -0.55 -0.24 116.42 123.18 3gj4 h ASP 200 Ca 0.16 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 3gj4 h ASP 200 Cb 0.03 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3gj4 h ASP 200 CO -0.03 0.68 0.07 -0.07 -1.72 0.00 0.00 179.24 178.17 3gj4 h LEU 201 N 1.16 1.04 0.68 1.55 3.38 -0.74 -1.19 115.31 121.18 3gj4 h LEU 201 Ca 0.37 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3gj4 h LEU 201 Cb 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3gj4 h LEU 201 CO -0.11 1.05 -0.36 -0.33 0.09 0.00 0.00 178.44 178.78 3gj4 h GLU 202 N 0.98 -0.92 -0.36 1.13 5.08 -0.47 -1.00 114.58 119.03 3gj4 h GLU 202 Ca 0.19 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 3gj4 h GLU 202 Cb 0.48 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.86 3gj4 h GLU 202 CO 0.02 -0.61 -0.52 0.28 -1.00 0.00 0.00 179.01 177.18 3gj4 h VAL 203 N -0.95 0.03 -0.74 3.13 2.07 -1.02 0.67 116.25 119.45 3gj4 h VAL 203 Ca -0.09 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.62 3gj4 h VAL 203 Cb 0.75 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3gj4 h VAL 203 CO 0.13 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.23 3gj4 h ALA 204 N 0.05 2.47 0.00 1.67 0.00 -1.18 0.27 119.26 122.54 3gj4 h ALA 204 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3gj4 h ALA 204 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3gj4 h ALA 204 CO -0.56 -0.69 -0.23 0.37 0.00 0.00 0.00 179.25 178.14 3gj4 h GLN 205 N 0.15 0.00 0.00 0.00 5.75 0.53 -3.34 115.11 118.20 3gj4 h GLN 205 Ca 0.36 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.60 3gj4 h GLN 205 Cb 1.20 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.71 3gj4 h GLN 205 CO -0.06 0.23 -1.92 0.25 -2.65 0.00 0.00 178.83 174.68 3gj4 n THR 206 N -3.63 0.92 0.00 2.39 -2.24 0.18 -5.09 114.28 106.80 3gj4 n THR 206 Ca -0.01 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3gj4 n THR 206 Cb 0.36 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 3gj4 n THR 206 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85