#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jr2 n PRO 4 N 0.00 -1.90 -4.17 1.64 -0.02 -1.25 -4.95 135.00 124.35 3jr2 n PRO 4 Ca 0.00 -0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 3jr2 n PRO 4 Cb 0.00 -0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.32 3jr2 n PRO 4 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3jr2 s ILE 6 N -0.98 0.52 -0.06 4.25 1.01 -1.26 -4.87 121.20 119.82 3jr2 s ILE 6 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.57 3jr2 s ILE 6 Cb -0.00 -0.55 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 3jr2 s ILE 6 CO 0.00 0.22 -0.19 -1.58 0.00 0.00 0.00 174.94 173.39 3jr2 s GLN 7 N 0.84 2.08 -0.22 2.79 0.74 -0.22 -0.95 119.66 124.72 3jr2 s GLN 7 Ca -0.11 -0.68 -0.08 0.00 0.05 0.00 0.00 55.36 54.54 3jr2 s GLN 7 Cb -0.14 -1.75 -0.04 0.00 1.10 0.00 0.00 33.01 32.19 3jr2 s GLN 7 CO 0.00 0.24 0.08 -1.50 -0.55 0.00 0.00 175.29 173.56 3jr2 s ILE 8 N 0.11 4.72 -0.30 -2.34 2.07 -0.78 -1.03 121.20 123.65 3jr2 s ILE 8 Ca -0.07 -0.05 -0.18 0.00 -1.41 0.00 0.00 60.65 58.94 3jr2 s ILE 8 Cb -0.13 -3.17 -0.02 0.00 0.13 0.00 0.00 42.46 39.27 3jr2 s ILE 8 CO 0.03 0.40 0.52 0.00 -1.91 0.00 0.00 174.94 173.98 3jr2 s ALA 9 N 0.93 3.54 -0.53 1.50 0.00 -0.27 -1.17 121.76 125.75 3jr2 s ALA 9 Ca 0.04 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 3jr2 s ALA 9 Cb -0.14 -2.94 0.07 0.00 0.00 0.00 0.00 23.12 20.11 3jr2 s ALA 9 CO 0.03 -0.93 0.64 -0.51 0.00 0.00 0.00 175.76 174.99 3jr2 s LEU 10 N 2.36 5.08 -0.28 0.00 1.43 0.05 -4.55 118.68 122.77 3jr2 s LEU 10 Ca 0.20 -1.05 0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3jr2 s LEU 10 Cb -0.15 -2.41 0.49 0.00 0.03 0.00 0.00 46.19 44.15 3jr2 s LEU 10 CO 0.11 -0.95 1.43 0.47 0.23 0.00 0.00 176.35 177.64 3jr2 n ASP 11 N 6.21 2.40 -4.74 2.29 9.92 -1.26 -0.83 116.55 130.54 3jr2 n ASP 11 Ca -0.07 -3.77 -0.36 0.00 -0.53 0.00 0.00 54.79 50.06 3jr2 n ASP 11 Cb 0.45 -0.62 0.06 0.00 -0.64 0.00 0.00 41.12 40.37 3jr2 n ASP 11 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3jr2 s GLN 12 N -3.23 2.64 0.00 -1.24 1.11 -1.26 -4.50 119.66 113.17 3jr2 s GLN 12 Ca 0.44 1.89 0.20 0.00 0.01 0.00 0.00 55.36 57.90 3jr2 s GLN 12 Cb 0.40 -1.88 0.78 0.00 -1.01 0.00 0.00 33.01 31.30 3jr2 s GLN 12 CO -0.01 -1.48 1.56 0.25 0.01 0.00 0.00 175.29 175.62 3jr2 n THR 13 N -1.96 0.19 -3.78 -0.19 -2.24 -1.26 -3.20 114.28 101.84 3jr2 n THR 13 Ca 0.14 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3jr2 n THR 13 Cb 0.49 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.92 3jr2 n THR 13 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jr2 s ASN 14 N -1.55 -0.12 0.18 3.42 4.22 -1.26 -4.84 114.94 114.99 3jr2 s ASN 14 Ca 0.31 -0.11 -0.04 0.00 -2.14 0.00 0.00 52.86 50.88 3jr2 s ASN 14 Cb 0.17 0.32 0.08 0.00 1.28 0.00 0.00 41.25 43.10 3jr2 s ASN 14 CO 0.25 -0.53 1.48 0.25 -2.04 0.00 0.00 177.10 176.51 3jr2 h LEU 15 N 3.55 0.64 -0.58 3.54 5.85 -1.93 -2.77 115.31 123.60 3jr2 h LEU 15 Ca -0.31 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.08 3jr2 h LEU 15 Cb 1.19 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3jr2 h LEU 15 CO 0.44 1.08 0.35 0.74 -0.34 0.00 0.00 178.44 180.71 3jr2 h THR 16 N 0.42 1.06 -0.35 1.05 2.02 -1.99 0.15 112.91 115.27 3jr2 h THR 16 Ca -0.00 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 3jr2 h THR 16 Cb 1.14 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3jr2 h THR 16 CO 0.11 0.13 -0.04 0.44 0.37 0.00 0.00 175.52 176.53 3jr2 h ASP 17 N 0.69 0.64 -0.31 4.18 5.19 -1.98 -2.56 116.42 122.27 3jr2 h ASP 17 Ca 0.23 -0.34 0.03 0.00 -0.62 0.00 0.00 57.03 56.34 3jr2 h ASP 17 Cb 0.03 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.34 3jr2 h ASP 17 CO -0.10 0.82 0.12 0.00 -3.12 0.00 0.00 179.24 176.95 3jr2 h ALA 18 N 0.84 0.35 -0.85 3.45 0.00 -1.17 -2.09 119.26 119.79 3jr2 h ALA 18 Ca 0.09 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3jr2 h ALA 18 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3jr2 h ALA 18 CO 0.03 -0.28 0.55 0.28 0.00 0.00 0.00 179.25 179.83 3jr2 h VAL 19 N 0.26 1.05 -0.49 0.00 2.07 -0.62 0.51 116.25 119.03 3jr2 h VAL 19 Ca 0.13 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 3jr2 h VAL 19 Cb 0.09 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3jr2 h VAL 19 CO -0.13 0.17 -0.17 0.00 0.02 0.00 0.00 177.57 177.47 3jr2 h ALA 20 N 1.54 0.68 -0.02 1.67 0.00 -1.16 0.37 119.26 122.34 3jr2 h ALA 20 Ca 0.36 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jr2 h ALA 20 Cb 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3jr2 h ALA 20 CO -0.13 0.63 -0.00 0.28 0.00 0.00 0.00 179.25 180.03 3jr2 h VAL 21 N 0.84 1.26 -0.81 0.00 2.07 -1.07 -2.69 116.25 115.86 3jr2 h VAL 21 Ca 0.12 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3jr2 h VAL 21 Cb 0.74 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 3jr2 h VAL 21 CO 0.06 0.21 0.49 0.00 0.02 0.00 0.00 177.57 178.35 3jr2 h ALA 22 N 0.68 1.03 -0.92 1.67 0.00 -0.74 -1.97 119.26 119.01 3jr2 h ALA 22 Ca 0.01 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3jr2 h ALA 22 Cb 0.34 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3jr2 h ALA 22 CO 0.00 0.49 0.57 1.03 0.00 0.00 0.00 179.25 181.34 3jr2 h SER 23 N 1.11 0.88 0.74 0.00 0.87 -0.90 -1.33 113.55 114.91 3jr2 h SER 23 Ca 0.29 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.73 3jr2 h SER 23 Cb -0.05 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3jr2 h SER 23 CO -0.06 0.54 -0.67 0.78 -0.53 0.00 0.00 176.83 176.89 3jr2 h ASN 24 N 1.00 0.00 -0.01 6.23 2.35 -1.03 -3.35 115.58 120.78 3jr2 h ASN 24 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 3jr2 h ASN 24 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3jr2 h ASN 24 CO -0.20 0.67 -0.42 1.33 -1.65 0.00 0.00 177.43 177.16 3jr2 n VAL 25 N -3.67 0.00 -0.07 2.81 0.24 -0.88 -4.67 118.33 112.09 3jr2 n VAL 25 Ca -0.01 -0.29 0.04 0.00 -2.04 0.00 0.00 64.34 62.05 3jr2 n VAL 25 Cb 0.68 1.13 0.39 0.00 -1.47 0.00 0.00 33.84 34.56 3jr2 n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3jr2 h ALA 26 N 2.45 1.68 0.00 2.33 0.00 -1.39 0.04 119.26 124.38 3jr2 h ALA 26 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jr2 h ALA 26 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3jr2 h ALA 26 CO 0.00 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 3jr2 n SER 27 N -4.46 0.53 -0.27 0.00 3.41 -1.26 -3.30 113.62 108.25 3jr2 n SER 27 Ca 0.06 0.57 0.03 0.00 -0.26 0.00 0.00 58.87 59.26 3jr2 n SER 27 Cb 0.10 -0.70 0.06 0.00 -0.26 0.00 0.00 64.21 63.40 3jr2 n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jr2 n TYR 28 N -2.01 0.17 -4.35 7.33 0.18 -0.03 -5.01 117.16 113.44 3jr2 n TYR 28 Ca 0.05 -0.39 -0.26 0.00 1.88 0.00 0.00 57.90 59.19 3jr2 n TYR 28 Cb 0.35 -0.03 -0.12 0.00 -0.38 0.00 0.00 39.34 39.15 3jr2 n TYR 28 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 3jr2 s VAL 29 N -0.87 1.99 -0.10 -3.48 -7.23 -1.03 -4.95 120.40 104.73 3jr2 s VAL 29 Ca 0.10 -1.75 0.16 0.00 -1.81 0.00 0.00 61.98 58.67 3jr2 s VAL 29 Cb 0.05 -1.83 -0.19 0.00 0.56 0.00 0.00 36.38 34.98 3jr2 s VAL 29 CO 0.07 -0.07 0.66 0.47 -0.31 0.00 0.00 175.10 175.92 3jr2 n ASP 30 N 0.76 0.72 -3.88 4.85 8.00 -0.12 -4.89 116.55 121.99 3jr2 n ASP 30 Ca -0.17 0.33 -0.18 0.00 0.71 0.00 0.00 54.79 55.48 3jr2 n ASP 30 Cb 0.54 0.28 -0.16 0.00 -0.02 0.00 0.00 41.12 41.76 3jr2 n ASP 30 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jr2 s VAL 31 N -2.79 0.37 -0.14 2.53 1.01 -0.87 -3.02 120.40 117.49 3jr2 s VAL 31 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3jr2 s VAL 31 Cb 0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 3jr2 s VAL 31 CO 0.82 0.17 -0.15 -0.63 0.00 0.00 0.00 175.10 175.31 3jr2 s ILE 32 N 0.71 2.82 -0.13 2.22 1.01 -0.51 -1.87 121.20 125.45 3jr2 s ILE 32 Ca -0.08 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.85 3jr2 s ILE 32 Cb -0.11 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 3jr2 s ILE 32 CO -0.01 0.52 -0.18 -0.70 0.00 0.00 0.00 174.94 174.58 3jr2 s GLU 33 N 0.52 3.19 -0.59 2.79 2.12 -0.32 -0.61 118.70 125.80 3jr2 s GLU 33 Ca -0.10 -0.78 -0.27 0.00 0.36 0.00 0.00 54.97 54.18 3jr2 s GLU 33 Cb -0.16 -2.51 0.03 0.00 0.26 0.00 0.00 34.13 31.76 3jr2 s GLU 33 CO 0.04 0.11 1.12 0.08 -0.54 0.00 0.00 175.26 176.07 3jr2 s VAL 34 N 0.56 4.12 0.83 3.70 1.01 0.30 -0.77 120.40 130.15 3jr2 s VAL 34 Ca -0.11 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 3jr2 s VAL 34 Cb -0.16 -4.68 0.09 0.00 0.00 0.00 0.00 36.38 31.63 3jr2 s VAL 34 CO 0.04 -1.31 1.09 -0.83 0.00 0.00 0.00 175.10 174.08 3jr2 s GLY 35 N 3.00 1.63 0.25 4.51 0.00 -0.01 -1.03 107.32 115.68 3jr2 s GLY 35 Ca 0.38 -0.04 -0.05 0.00 0.00 0.00 0.00 44.72 45.01 3jr2 s GLY 35 CO 0.22 0.40 1.92 -0.84 0.00 0.00 0.00 173.10 174.79 3jr2 h THR 36 N -1.29 1.21 -0.65 0.90 2.02 -1.82 -1.15 112.91 112.13 3jr2 h THR 36 Ca -0.47 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.26 3jr2 h THR 36 Cb 1.27 -0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3jr2 h THR 36 CO 0.55 0.24 0.41 0.40 0.37 0.00 0.00 175.52 177.50 3jr2 h ILE 37 N 1.31 1.17 -0.52 3.11 2.04 -1.88 0.24 117.51 122.99 3jr2 h ILE 37 Ca 0.38 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.82 3jr2 h ILE 37 Cb -0.07 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3jr2 h ILE 37 CO -0.10 0.17 -0.02 0.25 0.00 0.00 0.00 178.15 178.45 3jr2 h LEU 38 N 0.87 0.91 -0.55 1.44 5.85 -1.33 -0.46 115.31 122.05 3jr2 h LEU 38 Ca 0.23 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3jr2 h LEU 38 Cb -0.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 3jr2 h LEU 38 CO -0.05 1.01 0.16 0.00 -0.34 0.00 0.00 178.44 179.22 3jr2 h ALA 39 N 0.94 0.72 -0.04 1.25 0.00 -0.95 -0.76 119.26 120.42 3jr2 h ALA 39 Ca 0.14 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3jr2 h ALA 39 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3jr2 h ALA 39 CO 0.03 0.40 -0.68 0.74 0.00 0.00 0.00 179.25 179.74 3jr2 h PHE 40 N 0.77 0.22 -0.31 0.00 0.04 -0.88 0.30 116.94 117.08 3jr2 h PHE 40 Ca 0.18 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3jr2 h PHE 40 Cb 0.30 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 3jr2 h PHE 40 CO 0.02 0.79 0.11 0.00 -0.60 0.00 0.00 178.31 178.63 3jr2 h ALA 41 N 1.18 0.40 0.00 2.45 0.00 -0.60 -3.38 119.26 119.31 3jr2 h ALA 41 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3jr2 h ALA 41 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3jr2 h ALA 41 CO 0.10 0.01 -0.45 0.39 0.00 0.00 0.00 179.25 179.30 3jr2 n GLU 42 N -4.72 4.11 0.00 0.00 -0.58 -0.33 -5.05 120.64 114.08 3jr2 n GLU 42 Ca -0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3jr2 n GLU 42 Cb 0.15 -0.75 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 3jr2 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jr2 n GLY 43 N 1.53 1.73 4.40 0.62 0.00 0.10 -4.38 105.19 109.19 3jr2 n GLY 43 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3jr2 n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3jr2 n LYS 45 N 0.00 0.00 -0.20 1.61 4.81 -1.26 -4.22 118.16 118.90 3jr2 n LYS 45 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 3jr2 n LYS 45 Cb 0.00 -0.99 0.08 0.00 0.02 0.00 0.00 35.03 34.15 3jr2 n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3jr2 h ALA 46 N 0.00 0.99 0.05 3.14 0.00 -1.92 -0.58 119.26 120.94 3jr2 h ALA 46 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3jr2 h ALA 46 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3jr2 h ALA 46 CO 0.00 0.64 -0.02 0.28 0.00 0.00 0.00 179.25 180.15 3jr2 h VAL 47 N 0.96 1.17 -0.50 0.00 2.07 -1.89 -1.67 116.25 116.38 3jr2 h VAL 47 Ca 0.19 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 3jr2 h VAL 47 Cb 0.42 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3jr2 h VAL 47 CO 0.01 0.18 0.08 0.77 0.02 0.00 0.00 177.57 178.63 3jr2 h SER 48 N -0.38 0.74 -0.00 0.57 4.64 -1.48 -0.25 113.55 117.37 3jr2 h SER 48 Ca -0.01 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3jr2 h SER 48 Cb 0.35 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3jr2 h SER 48 CO 0.01 0.76 0.00 0.74 -0.87 0.00 0.00 176.83 177.47 3jr2 h THR 49 N 0.75 1.15 -0.14 2.95 2.02 -1.07 -2.17 112.91 116.40 3jr2 h THR 49 Ca 0.16 -0.44 -0.13 0.00 0.77 0.00 0.00 66.41 66.77 3jr2 h THR 49 Cb 0.34 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3jr2 h THR 49 CO 0.01 0.11 -0.47 -0.07 0.37 0.00 0.00 175.52 175.47 3jr2 h LEU 50 N -0.18 0.39 -0.56 2.58 3.38 -1.16 -1.59 115.31 118.18 3jr2 h LEU 50 Ca 0.00 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.87 3jr2 h LEU 50 Cb 0.19 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 3jr2 h LEU 50 CO -0.00 0.80 0.20 -0.09 0.09 0.00 0.00 178.44 179.44 3jr2 h ARG 51 N 0.29 0.37 -0.37 1.13 9.65 -0.91 -0.30 114.38 124.24 3jr2 h ARG 51 Ca 0.02 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.79 3jr2 h ARG 51 Cb 0.94 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 3jr2 h ARG 51 CO 0.08 0.24 -0.09 1.25 2.80 0.00 0.00 179.97 184.25 3jr2 h HIS 52 N 0.38 0.81 0.00 2.20 2.76 -1.09 -3.18 115.15 117.03 3jr2 h HIS 52 Ca 0.28 -0.17 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 3jr2 h HIS 52 Cb 0.32 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 3jr2 h HIS 52 CO -0.17 0.86 -0.39 -0.91 -1.30 0.00 0.00 177.93 176.03 3jr2 h ASN 53 N 0.52 0.00 -2.17 3.26 2.35 -0.97 -3.36 115.58 115.21 3jr2 h ASN 53 Ca 0.09 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.27 3jr2 h ASN 53 Cb 0.60 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.58 3jr2 h ASN 53 CO 0.04 0.39 -0.96 1.41 -1.65 0.00 0.00 177.43 176.65 3jr2 n HIS 54 N -3.64 0.46 0.27 1.19 8.25 -0.15 -4.97 115.22 116.63 3jr2 n HIS 54 Ca -0.01 -3.66 0.16 0.00 -0.26 0.00 0.00 57.72 53.95 3jr2 n HIS 54 Cb 0.49 -0.28 0.64 0.00 1.12 0.00 0.00 29.99 31.96 3jr2 n HIS 54 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3jr2 h PRO 55 N 4.44 0.00 0.00 -0.41 0.13 -1.71 -2.83 132.00 131.63 3jr2 h PRO 55 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3jr2 h PRO 55 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3jr2 h PRO 55 CO 0.53 0.06 -0.56 -1.71 -0.23 0.00 0.00 178.00 176.08 3jr2 n ASN 56 N -3.18 0.60 -4.85 1.44 4.05 -1.26 -4.94 115.26 107.11 3jr2 n ASN 56 Ca 0.00 0.02 -0.32 0.00 0.45 0.00 0.00 54.58 54.74 3jr2 n ASN 56 Cb 0.33 0.16 -0.02 0.00 1.23 0.00 0.00 39.78 41.47 3jr2 n ASN 56 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 3jr2 s HIS 57 N -3.11 3.49 0.01 1.20 3.76 -1.07 -5.02 115.29 114.57 3jr2 s HIS 57 Ca 0.08 1.37 -0.30 0.00 -0.15 0.00 0.00 55.06 56.05 3jr2 s HIS 57 Cb 0.15 -2.72 -0.05 0.00 1.11 0.00 0.00 32.58 31.06 3jr2 s HIS 57 CO 0.71 -0.40 1.26 0.42 -0.85 0.00 0.00 174.74 175.87 3jr2 s ILE 58 N -2.72 3.98 -0.14 0.60 1.01 -1.17 -4.96 121.20 117.81 3jr2 s ILE 58 Ca 0.57 1.38 -0.02 0.00 0.00 0.00 0.00 60.65 62.59 3jr2 s ILE 58 Cb -0.10 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3jr2 s ILE 58 CO 0.36 0.05 -0.09 -0.22 0.00 0.00 0.00 174.94 175.04 3jr2 s LEU 59 N 1.73 2.92 -0.08 2.97 2.96 -1.26 -1.43 118.68 126.49 3jr2 s LEU 59 Ca 0.59 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 3jr2 s LEU 59 Cb -0.29 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3jr2 s LEU 59 CO 0.26 0.16 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.65 3jr2 s VAL 60 N 0.39 3.26 -0.33 1.68 1.01 0.22 -0.79 120.40 125.83 3jr2 s VAL 60 Ca -0.08 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3jr2 s VAL 60 Cb -0.15 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.94 3jr2 s VAL 60 CO 0.04 0.57 0.10 0.00 0.00 0.00 0.00 175.10 175.82 3jr2 s ASP 62 N 1.42 7.01 0.00 0.00 2.15 -0.20 -2.17 116.67 124.87 3jr2 s ASP 62 Ca -0.01 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.16 3jr2 s ASP 62 Cb -0.19 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 3jr2 s ASP 62 CO 0.03 0.19 0.00 0.29 -0.17 0.00 0.00 175.17 175.51 3jr2 n LYS 64 N 2.22 0.00 -1.66 4.34 5.02 -1.12 -3.07 118.16 123.90 3jr2 n LYS 64 Ca -0.09 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 55.70 3jr2 n LYS 64 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.47 3jr2 n LYS 64 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3jr2 n THR 65 N 0.00 0.18 -0.02 -0.18 -1.04 -0.92 -3.76 114.28 108.55 3jr2 n THR 65 Ca 0.00 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 61.96 3jr2 n THR 65 Cb 0.00 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.14 3jr2 n THR 65 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3jr2 n THR 66 N 3.74 0.27 -4.10 12.58 -1.04 -1.26 0.17 114.28 124.63 3jr2 n THR 66 Ca 0.20 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.05 61.95 3jr2 n THR 66 Cb 0.23 -0.89 -0.08 0.00 -1.82 0.00 0.00 70.33 67.77 3jr2 n THR 66 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3jr2 s ASP 67 N -3.52 0.10 -1.01 8.00 -4.77 -1.26 -4.31 116.67 109.91 3jr2 s ASP 67 Ca -0.02 -1.16 -0.02 0.00 -3.30 0.00 0.00 52.55 48.05 3jr2 s ASP 67 Cb 0.01 0.42 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 3jr2 s ASP 67 CO 0.16 -0.90 0.26 0.61 0.70 0.00 0.00 175.17 176.00 3jr2 n GLY 68 N -0.26 -0.09 0.25 2.12 0.00 -1.26 -4.87 105.19 101.08 3jr2 n GLY 68 Ca -0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 3jr2 n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jr2 h GLY 69 N -0.59 -0.45 0.90 -0.02 0.00 -1.92 -0.40 103.07 100.58 3jr2 h GLY 69 Ca -0.32 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.28 3jr2 h GLY 69 CO 0.35 -0.20 0.64 0.00 0.00 0.00 0.00 176.54 177.34 3jr2 h ALA 70 N 0.28 1.29 -0.04 3.60 0.00 -1.85 0.80 119.26 123.34 3jr2 h ALA 70 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3jr2 h ALA 70 Cb 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3jr2 h ALA 70 CO -0.06 0.54 -0.18 0.82 0.00 0.00 0.00 179.25 180.38 3jr2 h ILE 71 N 1.25 1.48 -0.50 0.00 2.04 -1.89 -2.44 117.51 117.44 3jr2 h ILE 71 Ca 0.38 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 3jr2 h ILE 71 Cb -0.02 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3jr2 h ILE 71 CO -0.12 0.46 0.22 -0.07 0.00 0.00 0.00 178.15 178.64 3jr2 h LEU 72 N -0.39 0.68 0.01 1.44 3.38 -0.98 -3.11 115.31 116.34 3jr2 h LEU 72 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3jr2 h LEU 72 Cb 0.84 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3jr2 h LEU 72 CO 0.04 0.65 -0.02 0.28 0.09 0.00 0.00 178.44 179.48 3jr2 h SER 73 N 0.67 -0.04 0.00 -0.43 0.02 -0.90 -1.65 113.55 111.22 3jr2 h SER 73 Ca 0.17 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3jr2 h SER 73 Cb 0.17 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3jr2 h SER 73 CO -0.02 -0.02 0.00 -1.14 -1.14 0.00 0.00 176.83 174.51 3jr2 n ARG 74 N -5.11 0.00 0.00 3.45 0.63 -0.92 -1.28 116.66 113.43 3jr2 n ARG 74 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 3jr2 n ARG 74 Cb 0.05 -1.30 0.00 0.00 0.45 0.00 0.00 32.46 31.66 3jr2 n ARG 74 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3jr2 n ALA 76 N 0.83 0.00 -0.18 5.13 0.00 -0.62 -0.24 120.51 125.43 3jr2 n ALA 76 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3jr2 n ALA 76 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3jr2 n ALA 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3jr2 h PHE 77 N 0.00 1.09 -0.24 0.00 0.04 -1.43 -1.95 116.94 114.46 3jr2 h PHE 77 Ca 0.00 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.49 3jr2 h PHE 77 Cb 0.00 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 3jr2 h PHE 77 CO 0.00 1.02 -0.09 0.93 -0.60 0.00 0.00 178.31 179.57 3jr2 h GLU 78 N 0.85 0.38 0.00 1.51 5.08 -0.86 -1.90 114.58 119.64 3jr2 h GLU 78 Ca 0.14 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3jr2 h GLU 78 Cb 0.64 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3jr2 h GLU 78 CO 0.04 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.54 3jr2 h ALA 79 N 1.55 1.00 0.00 3.43 0.00 -1.73 -3.47 119.26 120.04 3jr2 h ALA 79 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3jr2 h ALA 79 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3jr2 h ALA 79 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3jr2 n GLY 80 N -0.27 1.04 3.76 0.00 0.00 -0.71 -2.98 105.19 106.03 3jr2 n GLY 80 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3jr2 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jr2 s ALA 81 N -1.24 3.01 -0.15 4.61 0.00 -0.76 -4.84 121.76 122.40 3jr2 s ALA 81 Ca 0.00 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.34 3jr2 s ALA 81 Cb 0.00 -3.57 -0.23 0.00 0.00 0.00 0.00 23.12 19.32 3jr2 s ALA 81 CO 0.00 -1.25 0.25 -0.25 0.00 0.00 0.00 175.76 174.51 3jr2 n ASP 82 N -0.63 1.64 -4.17 0.00 8.00 0.03 -4.56 116.55 116.87 3jr2 n ASP 82 Ca 0.08 0.15 -0.23 0.00 0.71 0.00 0.00 54.79 55.50 3jr2 n ASP 82 Cb 0.44 -0.42 -0.14 0.00 -0.02 0.00 0.00 41.12 40.97 3jr2 n ASP 82 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3jr2 s TRP 83 N -2.55 1.47 0.16 1.24 0.51 -0.72 -1.47 118.94 117.58 3jr2 s TRP 83 Ca -0.21 -0.33 0.07 0.00 -2.12 0.00 0.00 56.10 53.51 3jr2 s TRP 83 Cb 0.07 -0.90 -0.04 0.00 -0.81 0.00 0.00 33.47 31.80 3jr2 s TRP 83 CO 0.75 0.03 -0.15 0.96 -0.51 0.00 0.00 176.95 178.03 3jr2 s ILE 84 N -0.67 1.58 0.00 2.03 -4.36 -0.56 -0.90 121.20 118.32 3jr2 s ILE 84 Ca 0.05 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 3jr2 s ILE 84 Cb -0.08 -1.77 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 3jr2 s ILE 84 CO 0.01 -0.44 0.04 0.42 0.24 0.00 0.00 174.94 175.21 3jr2 s THR 85 N -2.36 4.41 -0.04 8.37 -4.23 -0.92 -0.89 115.64 119.97 3jr2 s THR 85 Ca 0.15 -0.54 0.02 0.00 -1.18 0.00 0.00 61.69 60.14 3jr2 s THR 85 Cb -0.04 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.81 3jr2 s THR 85 CO 0.05 0.34 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.69 3jr2 s VAL 86 N -1.15 0.88 0.35 2.29 1.01 0.01 -2.16 120.40 121.63 3jr2 s VAL 86 Ca 0.22 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 3jr2 s VAL 86 Cb -0.12 -0.81 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 3jr2 s VAL 86 CO 0.13 0.29 1.26 -0.55 0.00 0.00 0.00 175.10 176.23 3jr2 s SER 87 N 0.52 6.67 0.60 3.32 0.15 0.13 -0.55 113.70 124.54 3jr2 s SER 87 Ca -0.09 2.59 0.30 0.00 0.70 0.00 0.00 55.95 59.44 3jr2 s SER 87 Cb -0.13 -2.64 1.67 0.00 -1.71 0.00 0.00 66.02 63.21 3jr2 s SER 87 CO 0.02 -0.59 2.05 0.00 1.20 0.00 0.00 173.24 175.91 3jr2 h ALA 88 N 3.14 1.77 0.00 5.45 0.00 -1.40 -1.34 119.26 126.87 3jr2 h ALA 88 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3jr2 h ALA 88 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3jr2 h ALA 88 CO 0.64 -0.37 -0.08 0.00 0.00 0.00 0.00 179.25 179.45 3jr2 n ALA 89 N -2.26 2.48 -1.65 0.00 0.00 -1.26 -4.86 120.51 112.96 3jr2 n ALA 89 Ca 0.02 -0.12 -0.44 0.00 0.00 0.00 0.00 53.44 52.91 3jr2 n ALA 89 Cb 0.39 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 3jr2 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jr2 n ALA 90 N -1.56 0.60 -1.75 0.00 0.00 -0.51 -4.94 120.51 112.35 3jr2 n ALA 90 Ca 0.06 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.49 3jr2 n ALA 90 Cb 0.36 -2.16 0.02 0.00 0.00 0.00 0.00 19.45 17.68 3jr2 n ALA 90 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3jr2 n HIS 91 N 0.50 2.53 0.17 0.00 -0.00 -1.26 -4.76 115.22 112.39 3jr2 n HIS 91 Ca 0.08 0.44 0.17 0.00 -0.00 0.00 0.00 57.72 58.40 3jr2 n HIS 91 Cb 0.34 -2.42 0.78 0.00 -0.00 0.00 0.00 29.99 28.68 3jr2 n HIS 91 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 3jr2 h ILE 92 N 2.03 0.58 -0.38 3.57 6.09 -1.95 -0.08 117.51 127.38 3jr2 h ILE 92 Ca -0.51 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 62.84 3jr2 h ILE 92 Cb 1.28 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 39.40 3jr2 h ILE 92 CO 0.60 0.00 -0.35 0.00 -3.07 0.00 0.00 178.15 175.33 3jr2 h ALA 93 N 1.79 0.67 -0.58 0.18 0.00 -1.99 -1.01 119.26 118.32 3jr2 h ALA 93 Ca 0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3jr2 h ALA 93 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3jr2 h ALA 93 CO -0.00 0.67 0.27 1.15 0.00 0.00 0.00 179.25 181.34 3jr2 h THR 94 N 0.72 1.21 -0.52 0.00 2.02 -1.40 -1.61 112.91 113.33 3jr2 h THR 94 Ca 0.07 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 3jr2 h THR 94 Cb 0.92 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3jr2 h THR 94 CO 0.09 0.24 0.20 0.40 0.37 0.00 0.00 175.52 176.82 3jr2 h ILE 95 N 0.78 1.22 -0.82 3.11 2.04 -1.13 -1.33 117.51 121.39 3jr2 h ILE 95 Ca 0.20 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3jr2 h ILE 95 Cb 0.13 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3jr2 h ILE 95 CO -0.02 0.26 0.50 0.00 0.00 0.00 0.00 178.15 178.89 3jr2 h ALA 96 N 1.05 1.04 -0.54 1.87 0.00 -1.07 -0.93 119.26 120.67 3jr2 h ALA 96 Ca 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3jr2 h ALA 96 Cb 0.21 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3jr2 h ALA 96 CO -0.01 0.49 0.33 0.00 0.00 0.00 0.00 179.25 180.06 3jr2 h ALA 97 N 1.27 0.70 -0.28 0.00 0.00 -0.84 -0.79 119.26 119.32 3jr2 h ALA 97 Ca 0.29 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3jr2 h ALA 97 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3jr2 h ALA 97 CO -0.06 0.05 0.06 0.00 0.00 0.00 0.00 179.25 179.30 3jr2 h LYS 99 N 0.17 0.98 -0.23 0.00 1.63 -0.71 -0.18 116.57 118.23 3jr2 h LYS 99 Ca 0.13 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 3jr2 h LYS 99 Cb 0.13 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 3jr2 h LYS 99 CO -0.16 0.76 -0.01 -0.22 -3.45 0.00 0.00 179.45 176.36 3jr2 h LYS 100 N 0.98 0.42 -0.47 1.90 3.64 -1.01 -0.17 116.57 121.87 3jr2 h LYS 100 Ca 0.24 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3jr2 h LYS 100 Cb 0.10 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3jr2 h LYS 100 CO -0.03 0.61 0.30 0.28 -2.27 0.00 0.00 179.45 178.35 3jr2 h VAL 101 N 0.18 1.13 -0.46 2.00 2.07 -1.20 -2.01 116.25 117.96 3jr2 h VAL 101 Ca 0.06 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3jr2 h VAL 101 Cb 0.43 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3jr2 h VAL 101 CO 0.01 0.13 0.24 0.00 0.02 0.00 0.00 177.57 177.97 3jr2 h ALA 102 N 1.16 0.58 -0.72 1.67 0.00 -0.83 -0.05 119.26 121.07 3jr2 h ALA 102 Ca 0.17 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3jr2 h ALA 102 Cb -0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3jr2 h ALA 102 CO -0.04 -0.10 0.47 -0.44 0.00 0.00 0.00 179.25 179.14 3jr2 h ASP 103 N 0.48 0.81 -0.62 0.00 3.32 -0.95 0.32 116.42 119.79 3jr2 h ASP 103 Ca 0.19 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3jr2 h ASP 103 Cb 0.08 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3jr2 h ASP 103 CO -0.13 0.58 0.20 -0.08 -1.72 0.00 0.00 179.24 178.09 3jr2 h GLU 104 N 0.96 0.95 -0.65 3.56 4.81 -0.82 -3.20 114.58 120.18 3jr2 h GLU 104 Ca 0.27 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3jr2 h GLU 104 Cb -0.08 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.16 3jr2 h GLU 104 CO -0.07 0.84 0.00 1.28 -0.73 0.00 0.00 179.01 180.33 3jr2 n LEU 105 N -4.39 4.56 -3.98 1.64 4.77 -0.08 -4.94 117.00 114.58 3jr2 n LEU 105 Ca 0.04 -2.30 -0.30 0.00 -0.03 0.00 0.00 56.01 53.42 3jr2 n LEU 105 Cb 0.20 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 3jr2 n LEU 105 CO 0.40 0.75 -0.01 0.59 -1.33 0.00 0.00 177.39 177.79 3jr2 n ASN 106 N 1.01 -3.16 -4.97 -1.43 3.02 -0.13 -5.01 115.26 104.60 3jr2 n ASN 106 Ca 0.24 -0.88 -0.24 0.00 -0.03 0.00 0.00 54.58 53.67 3jr2 n ASN 106 Cb 0.87 -3.47 0.03 0.00 -0.61 0.00 0.00 39.78 36.59 3jr2 n ASN 106 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3jr2 s GLY 107 N -3.63 2.08 0.16 7.41 0.00 0.95 -5.02 107.32 109.28 3jr2 s GLY 107 Ca 0.48 -1.64 0.08 0.00 0.00 0.00 0.00 44.72 43.64 3jr2 s GLY 107 CO 0.86 -1.84 -0.17 -0.54 0.00 0.00 0.00 173.10 171.42 3jr2 s GLU 108 N -4.47 1.22 -0.04 2.90 2.02 -0.54 -4.42 118.70 115.36 3jr2 s GLU 108 Ca 0.46 -1.39 0.01 0.00 0.02 0.00 0.00 54.97 54.07 3jr2 s GLU 108 Cb -0.04 -1.20 -0.03 0.00 0.10 0.00 0.00 34.13 32.96 3jr2 s GLU 108 CO 0.29 0.23 -0.03 0.42 0.02 0.00 0.00 175.26 176.20 3jr2 s ILE 109 N -2.19 4.00 -0.03 -1.63 -1.09 -1.26 -1.50 121.20 117.50 3jr2 s ILE 109 Ca 0.15 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 58.13 3jr2 s ILE 109 Cb -0.05 -2.70 -0.01 0.00 -1.58 0.00 0.00 42.46 38.12 3jr2 s ILE 109 CO 0.06 0.51 -0.16 -1.10 -1.23 0.00 0.00 174.94 173.01 3jr2 s GLN 110 N -1.12 1.51 -0.22 2.79 -0.21 -0.07 -4.35 119.66 117.99 3jr2 s GLN 110 Ca 0.15 -0.59 -0.14 0.00 0.02 0.00 0.00 55.36 54.81 3jr2 s GLN 110 Cb -0.11 -1.39 -0.04 0.00 1.00 0.00 0.00 33.01 32.47 3jr2 s GLN 110 CO 0.05 0.30 0.32 0.42 -2.12 0.00 0.00 175.29 174.26 3jr2 s ILE 111 N -0.18 5.25 -0.40 1.08 -1.09 -0.41 -0.81 121.20 124.64 3jr2 s ILE 111 Ca 0.02 0.52 -0.27 0.00 -2.23 0.00 0.00 60.65 58.69 3jr2 s ILE 111 Cb -0.09 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 3jr2 s ILE 111 CO 0.01 0.27 0.99 -1.61 -1.23 0.00 0.00 174.94 173.36 3jr2 s GLU 112 N 1.30 3.79 -0.51 2.79 0.41 0.29 -0.23 118.70 126.53 3jr2 s GLU 112 Ca 0.15 0.56 -0.26 0.00 -0.41 0.00 0.00 54.97 55.01 3jr2 s GLU 112 Cb -0.14 -3.84 0.03 0.00 -1.78 0.00 0.00 34.13 28.40 3jr2 s GLU 112 CO 0.07 -1.08 0.99 0.42 -0.49 0.00 0.00 175.26 175.17 3jr2 s ILE 113 N 3.74 4.35 0.09 -1.63 1.01 -0.73 -1.15 121.20 126.88 3jr2 s ILE 113 Ca 0.41 0.63 -0.03 0.00 0.00 0.00 0.00 60.65 61.66 3jr2 s ILE 113 Cb -0.11 -4.53 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 3jr2 s ILE 113 CO 0.22 -1.03 0.06 -0.31 0.00 0.00 0.00 174.94 173.87 3jr2 s TYR 114 N 4.07 0.55 0.00 3.97 2.02 -1.26 -4.66 117.35 122.04 3jr2 s TYR 114 Ca 0.36 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 3jr2 s TYR 114 Cb -0.10 -0.33 0.00 0.00 -0.40 0.00 0.00 41.96 41.12 3jr2 s TYR 114 CO 0.24 -0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.16 3jr2 n GLY 115 N -0.00 -1.62 2.46 0.71 0.00 -1.26 -4.29 105.19 101.18 3jr2 n GLY 115 Ca -0.11 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 3jr2 n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jr2 n ASN 116 N 0.14 8.00 -4.83 1.61 5.03 -1.26 -4.97 115.26 118.98 3jr2 n ASN 116 Ca 0.00 -3.09 -0.32 0.00 0.87 0.00 0.00 54.58 52.04 3jr2 n ASN 116 Cb 0.00 -1.37 -0.02 0.00 -1.02 0.00 0.00 39.78 37.37 3jr2 n ASN 116 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 3jr2 s TRP 117 N -0.88 3.34 0.00 3.10 1.48 -1.26 -5.12 118.94 119.60 3jr2 s TRP 117 Ca 0.56 1.47 0.00 0.00 -1.06 0.00 0.00 56.10 57.07 3jr2 s TRP 117 Cb 0.20 -2.84 0.00 0.00 -1.16 0.00 0.00 33.47 29.66 3jr2 s TRP 117 CO -0.10 -0.60 0.00 0.25 -4.06 0.00 0.00 176.95 172.44 3jr2 n THR 118 N -1.80 0.00 0.00 0.66 -2.24 -1.26 -5.02 114.28 104.62 3jr2 n THR 118 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3jr2 n THR 118 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3jr2 n THR 118 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3jr2 n GLN 120 N 0.00 0.00 -0.25 -0.78 7.27 -1.26 -2.08 117.38 120.28 3jr2 n GLN 120 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 3jr2 n GLN 120 Cb 0.00 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.69 3jr2 n GLN 120 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3jr2 h ASP 121 N 0.00 0.99 -0.48 1.69 3.32 -1.99 -1.91 116.42 118.04 3jr2 h ASP 121 Ca 0.00 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 3jr2 h ASP 121 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3jr2 h ASP 121 CO 0.00 0.93 -0.08 0.00 -1.72 0.00 0.00 179.24 178.37 3jr2 h ALA 122 N 1.10 0.66 -0.69 3.45 0.00 -1.85 -1.60 119.26 120.34 3jr2 h ALA 122 Ca 0.22 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3jr2 h ALA 122 Cb 0.29 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3jr2 h ALA 122 CO -0.01 0.54 0.46 0.87 0.00 0.00 0.00 179.25 181.10 3jr2 h LYS 123 N 0.76 0.71 -0.58 0.00 1.57 -1.82 -1.75 116.57 115.46 3jr2 h LYS 123 Ca 0.13 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3jr2 h LYS 123 Cb 0.62 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3jr2 h LYS 123 CO 0.04 0.47 -0.01 0.00 -0.57 0.00 0.00 179.45 179.38 3jr2 h ALA 124 N 1.62 0.89 -0.47 3.86 0.00 -0.49 -0.97 119.26 123.71 3jr2 h ALA 124 Ca 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3jr2 h ALA 124 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3jr2 h ALA 124 CO -0.09 0.65 0.20 -1.49 0.00 0.00 0.00 179.25 178.52 3jr2 h TRP 125 N 0.93 0.70 -0.44 0.00 6.55 -0.82 -2.08 115.95 120.80 3jr2 h TRP 125 Ca 0.17 -0.05 -0.07 0.00 0.95 0.00 0.00 58.89 59.89 3jr2 h TRP 125 Cb 0.55 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.62 3jr2 h TRP 125 CO 0.04 0.59 0.00 0.28 -1.05 0.00 0.00 178.44 178.29 3jr2 h VAL 126 N 0.61 1.23 0.00 1.49 2.07 -1.07 -1.21 116.25 119.36 3jr2 h VAL 126 Ca 0.16 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3jr2 h VAL 126 Cb 0.17 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3jr2 h VAL 126 CO -0.01 0.33 -0.26 0.44 0.02 0.00 0.00 177.57 178.08 3jr2 h ASP 127 N 0.67 0.00 0.00 0.57 3.32 -0.90 0.94 116.42 121.02 3jr2 h ASP 127 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3jr2 h ASP 127 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3jr2 h ASP 127 CO 0.02 0.26 0.00 0.18 -1.72 0.00 0.00 179.24 177.98 3jr2 n LEU 128 N -3.49 0.00 0.00 1.55 4.77 -0.68 -4.89 117.00 114.26 3jr2 n LEU 128 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3jr2 n LEU 128 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3jr2 n LEU 128 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3jr2 n GLY 129 N 0.78 0.64 3.54 -0.72 0.00 0.33 -5.04 105.19 104.71 3jr2 n GLY 129 Ca 0.21 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3jr2 n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jr2 s ILE 130 N -2.00 5.12 -0.61 -0.61 1.01 -0.55 -4.91 121.20 118.66 3jr2 s ILE 130 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.74 3jr2 s ILE 130 Cb 0.00 -3.89 0.07 0.00 0.01 0.00 0.00 42.46 38.65 3jr2 s ILE 130 CO 0.00 -0.17 0.79 0.35 0.00 0.00 0.00 174.94 175.91 3jr2 n THR 131 N 5.31 0.28 -4.22 2.92 -2.24 -1.26 -3.22 114.28 111.85 3jr2 n THR 131 Ca -0.08 -0.64 -0.36 0.00 -2.27 0.00 0.00 64.05 60.71 3jr2 n THR 131 Cb 0.49 0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 3jr2 n THR 131 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3jr2 s GLN 132 N -0.60 3.16 -0.00 -0.78 -0.21 -1.26 0.11 119.66 120.08 3jr2 s GLN 132 Ca 0.08 -0.32 -0.14 0.00 0.02 0.00 0.00 55.36 54.99 3jr2 s GLN 132 Cb 0.05 -2.93 0.02 0.00 1.00 0.00 0.00 33.01 31.15 3jr2 s GLN 132 CO 0.07 0.71 0.29 0.00 -2.12 0.00 0.00 175.29 174.24 3jr2 s ALA 133 N -0.87 -0.72 -0.29 6.09 0.00 -1.10 -1.28 121.76 123.58 3jr2 s ALA 133 Ca 0.13 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 3jr2 s ALA 133 Cb -0.12 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 3jr2 s ALA 133 CO 0.03 -0.29 0.10 0.42 0.00 0.00 0.00 175.76 176.02 3jr2 s ILE 134 N -1.57 4.31 -0.27 0.00 -1.09 0.68 -0.75 121.20 122.50 3jr2 s ILE 134 Ca -0.12 -0.42 -0.06 0.00 -2.23 0.00 0.00 60.65 57.82 3jr2 s ILE 134 Cb -0.05 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 3jr2 s ILE 134 CO 0.03 0.16 0.05 -0.47 -1.23 0.00 0.00 174.94 173.47 3jr2 s TYR 135 N 1.58 3.11 -0.06 3.97 5.04 -0.40 -1.77 117.35 128.82 3jr2 s TYR 135 Ca 0.05 -0.98 -0.14 0.00 -2.44 0.00 0.00 57.07 53.56 3jr2 s TYR 135 Cb -0.16 -2.21 -0.05 0.00 0.35 0.00 0.00 41.96 39.88 3jr2 s TYR 135 CO 0.04 -0.57 0.36 -1.01 -1.34 0.00 0.00 175.55 173.03 3jr2 s HIS 136 N 1.49 3.64 0.01 4.97 3.76 -1.26 -2.16 115.29 125.74 3jr2 s HIS 136 Ca 0.03 0.85 -0.38 0.00 -0.15 0.00 0.00 55.06 55.41 3jr2 s HIS 136 Cb -0.17 -2.28 -0.17 0.00 1.11 0.00 0.00 32.58 31.07 3jr2 s HIS 136 CO 0.01 0.54 1.34 -2.13 -0.85 0.00 0.00 174.74 173.64 3jr2 n ARG 137 N 2.35 0.87 -1.57 1.40 0.63 -0.21 -4.79 116.66 115.35 3jr2 n ARG 137 Ca -0.14 0.31 -0.58 0.00 -0.92 0.00 0.00 57.85 56.53 3jr2 n ARG 137 Cb 0.53 -1.93 -0.08 0.00 0.45 0.00 0.00 32.46 31.43 3jr2 n ARG 137 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3jr2 n SER 138 N 2.68 0.80 -0.11 6.15 2.88 -1.26 -4.80 113.62 119.96 3jr2 n SER 138 Ca 0.20 1.15 -0.05 0.00 -1.33 0.00 0.00 58.87 58.83 3jr2 n SER 138 Cb 0.15 -1.01 0.14 0.00 -0.75 0.00 0.00 64.21 62.74 3jr2 n SER 138 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3jr2 h ARG 139 N 3.99 0.81 -0.72 -1.46 9.65 -1.99 -0.76 114.38 123.90 3jr2 h ARG 139 Ca -0.49 -0.24 0.02 0.00 -1.10 0.00 0.00 59.98 58.17 3jr2 h ARG 139 Cb 1.39 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.84 3jr2 h ARG 139 CO 0.75 0.84 0.46 -0.44 2.80 0.00 0.00 179.97 184.38 3jr2 h ASP 140 N 0.75 0.78 -0.51 -3.80 3.32 -1.99 0.87 116.42 115.83 3jr2 h ASP 140 Ca 0.14 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3jr2 h ASP 140 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3jr2 h ASP 140 CO 0.03 0.56 0.25 0.00 -1.72 0.00 0.00 179.24 178.36 3jr2 h ALA 141 N 1.28 0.66 -0.58 3.45 0.00 -1.74 -1.86 119.26 120.47 3jr2 h ALA 141 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3jr2 h ALA 141 Cb -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3jr2 h ALA 141 CO -0.08 0.22 0.26 1.49 0.00 0.00 0.00 179.25 181.14 3jr2 h GLU 142 N 0.69 0.85 -0.52 0.00 4.81 -0.52 -1.31 114.58 118.57 3jr2 h GLU 142 Ca 0.18 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3jr2 h GLU 142 Cb 0.11 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3jr2 h GLU 142 CO -0.02 0.70 0.09 -0.07 -0.73 0.00 0.00 179.01 178.97 3jr2 h LEU 143 N 0.79 0.76 0.00 1.64 3.38 -0.61 -2.07 115.31 119.21 3jr2 h LEU 143 Ca 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3jr2 h LEU 143 Cb 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3jr2 h LEU 143 CO -0.02 0.78 -0.15 0.00 0.09 0.00 0.00 178.44 179.14 3jr2 n ALA 144 N -2.47 2.66 -1.86 1.53 0.00 -0.72 -4.93 120.51 114.72 3jr2 n ALA 144 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 3jr2 n ALA 144 Cb 0.25 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 3jr2 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jr2 n GLY 145 N 1.48 0.31 0.97 0.00 0.00 -0.58 -4.95 105.19 102.42 3jr2 n GLY 145 Ca 0.06 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.45 3jr2 n GLY 145 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3jr2 n ILE 146 N -3.74 0.14 -4.11 -0.61 -5.35 -0.68 -5.04 119.36 99.97 3jr2 n ILE 146 Ca -0.05 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 3jr2 n ILE 146 Cb 0.45 1.34 0.00 0.00 -1.74 0.00 0.00 39.64 39.68 3jr2 n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jr2 n GLY 147 N 1.33 -0.08 3.60 3.28 0.00 -1.26 -4.70 105.19 107.36 3jr2 n GLY 147 Ca 0.15 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 3jr2 n GLY 147 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3jr2 s TRP 148 N 0.00 3.23 0.42 1.61 0.52 -1.26 -4.67 118.94 118.78 3jr2 s TRP 148 Ca 0.00 0.48 -0.03 0.00 0.02 0.00 0.00 56.10 56.58 3jr2 s TRP 148 Cb 0.00 -2.84 -0.03 0.00 -1.15 0.00 0.00 33.47 29.44 3jr2 s TRP 148 CO 0.00 -0.40 0.67 0.95 0.02 0.00 0.00 176.95 178.19 3jr2 s THR 149 N 2.40 5.00 0.31 2.01 -4.23 -1.26 -4.98 115.64 114.89 3jr2 s THR 149 Ca 0.21 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.63 3jr2 s THR 149 Cb -0.15 -3.86 0.28 0.00 1.34 0.00 0.00 72.50 70.11 3jr2 s THR 149 CO 0.11 -0.71 1.92 0.74 -0.54 0.00 0.00 174.62 176.14 3jr2 h THR 150 N 0.48 1.05 -0.73 3.99 2.02 -1.99 -2.57 112.91 115.16 3jr2 h THR 150 Ca -0.48 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 3jr2 h THR 150 Cb 1.21 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3jr2 h THR 150 CO 0.62 0.18 0.41 -0.78 0.37 0.00 0.00 175.52 176.31 3jr2 h ASP 151 N 0.96 0.90 -0.31 4.18 1.82 -1.99 -0.06 116.42 121.92 3jr2 h ASP 151 Ca 0.38 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.92 3jr2 h ASP 151 Cb 0.23 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 3jr2 h ASP 151 CO -0.14 0.73 0.14 0.44 -1.61 0.00 0.00 179.24 178.80 3jr2 h ASP 152 N 1.00 0.42 -0.77 2.28 3.32 -1.86 -1.19 116.42 119.61 3jr2 h ASP 152 Ca 0.26 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3jr2 h ASP 152 Cb 0.01 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3jr2 h ASP 152 CO -0.04 0.44 0.33 -0.07 -1.72 0.00 0.00 179.24 178.17 3jr2 h LEU 153 N 0.37 1.05 -0.25 1.55 3.38 -1.26 -2.79 115.31 117.37 3jr2 h LEU 153 Ca 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3jr2 h LEU 153 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3jr2 h LEU 153 CO -0.01 0.92 0.11 -0.78 0.09 0.00 0.00 178.44 178.78 3jr2 h ASP 154 N 1.11 0.33 0.00 -0.43 3.58 -0.82 -0.43 116.42 119.76 3jr2 h ASP 154 Ca 0.26 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3jr2 h ASP 154 Cb 0.19 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.15 3jr2 h ASP 154 CO -0.02 0.37 0.00 0.29 -2.88 0.00 0.00 179.24 176.99 3jr2 n LYS 155 N -4.82 0.00 0.00 0.28 4.76 -0.47 -1.39 118.16 116.53 3jr2 n LYS 155 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3jr2 n LYS 155 Cb 0.11 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 3jr2 n LYS 155 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jr2 n ARG 157 N 0.84 0.00 -0.25 1.97 1.74 -0.17 -1.57 116.66 119.22 3jr2 n ARG 157 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 3jr2 n ARG 157 Cb 0.00 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.49 3jr2 n ARG 157 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3jr2 h GLN 158 N 0.00 1.00 -0.52 5.56 4.20 -1.49 -1.24 115.11 122.61 3jr2 h GLN 158 Ca 0.00 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 3jr2 h GLN 158 Cb 0.00 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3jr2 h GLN 158 CO 0.00 0.79 0.08 -0.07 -0.67 0.00 0.00 178.83 178.97 3jr2 h LEU 159 N 0.96 0.83 -1.02 1.46 3.38 -1.57 -2.62 115.31 116.73 3jr2 h LEU 159 Ca 0.24 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3jr2 h LEU 159 Cb 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3jr2 h LEU 159 CO -0.03 0.88 0.60 -1.28 0.09 0.00 0.00 178.44 178.70 3jr2 h SER 160 N 0.75 1.11 0.89 -0.43 0.87 -1.66 -1.48 113.55 113.59 3jr2 h SER 160 Ca 0.16 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3jr2 h SER 160 Cb 0.41 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3jr2 h SER 160 CO 0.01 0.83 -0.02 0.00 -0.53 0.00 0.00 176.83 177.12 3jr2 h ALA 161 N 1.37 1.01 0.00 6.23 0.00 -0.95 -1.77 119.26 125.15 3jr2 h ALA 161 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3jr2 h ALA 161 Cb -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3jr2 h ALA 161 CO -0.07 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.49 3jr2 n LEU 162 N -3.13 0.65 0.00 0.00 4.77 -0.61 -4.93 117.00 113.75 3jr2 n LEU 162 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3jr2 n LEU 162 Cb 0.29 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3jr2 n LEU 162 CO 0.27 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3jr2 n GLY 163 N 1.02 0.96 3.76 -0.72 0.00 -0.66 -5.00 105.19 104.54 3jr2 n GLY 163 Ca 0.05 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3jr2 n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jr2 s ILE 164 N -2.00 4.75 -0.32 -0.61 1.01 -0.89 -4.75 121.20 118.38 3jr2 s ILE 164 Ca 0.00 1.50 -0.11 0.00 0.00 0.00 0.00 60.65 62.04 3jr2 s ILE 164 Cb 0.00 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 3jr2 s ILE 164 CO 0.00 0.41 0.19 -1.61 0.00 0.00 0.00 174.94 173.93 3jr2 s GLU 165 N -0.27 3.44 0.18 2.79 2.02 0.30 -4.09 118.70 123.07 3jr2 s GLU 165 Ca 0.35 -0.66 -0.17 0.00 0.02 0.00 0.00 54.97 54.51 3jr2 s GLU 165 Cb -0.20 -3.67 -0.08 0.00 0.10 0.00 0.00 34.13 30.29 3jr2 s GLU 165 CO 0.21 -0.41 0.64 -0.51 0.02 0.00 0.00 175.26 175.21 3jr2 s LEU 166 N 1.67 4.36 -0.25 1.80 1.43 -0.67 -2.72 118.68 124.30 3jr2 s LEU 166 Ca 0.05 1.27 -0.09 0.00 -1.03 0.00 0.00 54.13 54.33 3jr2 s LEU 166 Cb -0.17 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3jr2 s LEU 166 CO 0.08 0.09 0.11 -0.44 0.23 0.00 0.00 176.35 176.42 3jr2 s SER 167 N -1.62 5.52 -0.17 2.29 0.01 0.07 0.49 113.70 120.29 3jr2 s SER 167 Ca 0.39 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.50 3jr2 s SER 167 Cb -0.16 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 3jr2 s SER 167 CO 0.20 -0.00 0.04 -0.63 0.41 0.00 0.00 173.24 173.26 3jr2 s ILE 168 N 1.43 4.62 0.07 1.44 1.01 -0.27 -1.27 121.20 128.22 3jr2 s ILE 168 Ca 0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 3jr2 s ILE 168 Cb -0.15 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.27 3jr2 s ILE 168 CO 0.05 0.48 0.24 0.28 0.00 0.00 0.00 174.94 175.99 3jr2 s THR 169 N 0.26 0.11 0.00 2.92 -1.32 -0.92 -1.19 115.64 115.51 3jr2 s THR 169 Ca 0.02 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 3jr2 s THR 169 Cb -0.13 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.76 3jr2 s THR 169 CO 0.01 -0.51 0.00 0.61 -2.21 0.00 0.00 174.62 172.52 3jr2 n GLY 170 N 0.29 1.14 2.79 6.08 0.00 -1.26 -1.04 105.19 113.20 3jr2 n GLY 170 Ca -0.17 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 3jr2 n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jr2 n GLY 171 N 0.00 -0.27 3.69 -0.02 0.00 -1.26 -4.77 105.19 102.57 3jr2 n GLY 171 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3jr2 n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jr2 s ILE 172 N -3.07 3.53 0.07 -0.61 -1.09 -1.26 -5.00 121.20 113.78 3jr2 s ILE 172 Ca 0.26 0.96 0.03 0.00 -2.23 0.00 0.00 60.65 59.67 3jr2 s ILE 172 Cb -0.12 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 3jr2 s ILE 172 CO 0.33 0.01 -0.08 0.68 -1.23 0.00 0.00 174.94 174.64 3jr2 s VAL 173 N 2.25 0.69 0.29 2.92 -7.23 -1.26 -4.96 120.40 113.11 3jr2 s VAL 173 Ca 0.66 -1.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 3jr2 s VAL 173 Cb -0.34 -1.07 0.29 0.00 0.56 0.00 0.00 36.38 35.82 3jr2 s VAL 173 CO 0.28 -0.54 1.77 -0.65 -0.31 0.00 0.00 175.10 175.66 3jr2 h PRO 174 N 3.89 0.72 -0.47 4.82 0.11 -1.91 -0.78 132.00 138.38 3jr2 h PRO 174 Ca -0.36 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.84 3jr2 h PRO 174 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3jr2 h PRO 174 CO 0.49 0.48 0.41 1.49 -0.21 0.00 0.00 178.00 180.67 3jr2 h GLU 175 N 0.75 0.00 0.00 1.05 4.81 -1.97 -2.53 114.58 116.68 3jr2 h GLU 175 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 3jr2 h GLU 175 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 3jr2 h GLU 175 CO -0.38 0.00 -0.77 -0.25 -0.73 0.00 0.00 179.01 176.88 3jr2 n ASP 176 N -4.01 0.69 -0.21 1.04 8.00 -0.30 -4.50 116.55 117.26 3jr2 n ASP 176 Ca 0.09 -0.48 0.11 0.00 0.71 0.00 0.00 54.79 55.21 3jr2 n ASP 176 Cb 0.61 0.61 0.39 0.00 -0.02 0.00 0.00 41.12 42.71 3jr2 n ASP 176 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3jr2 h ILE 177 N 0.00 0.90 -0.33 0.53 1.08 -1.47 -0.48 117.51 117.74 3jr2 h ILE 177 Ca 0.00 -0.23 0.09 0.00 -0.39 0.00 0.00 64.86 64.34 3jr2 h ILE 177 Cb 0.55 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 3jr2 h ILE 177 CO 0.00 0.12 0.24 0.10 -0.69 0.00 0.00 178.15 177.92 3jr2 h TYR 178 N 0.66 0.00 -0.18 1.37 -0.00 -1.79 -1.53 116.97 115.50 3jr2 h TYR 178 Ca 0.38 0.00 0.05 0.00 0.00 0.00 0.00 58.73 59.16 3jr2 h TYR 178 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.29 3jr2 h TYR 178 CO -0.00 0.00 0.14 -0.07 -0.00 0.00 0.00 178.16 178.23 3jr2 h LEU 179 N 0.00 0.00 -1.78 0.10 3.38 -1.41 -2.68 115.31 112.93 3jr2 h LEU 179 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3jr2 h LEU 179 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3jr2 h LEU 179 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3jr2 n PHE 180 N -4.28 0.28 -1.59 1.13 3.72 -0.58 -4.95 117.46 111.19 3jr2 n PHE 180 Ca 0.01 -0.14 -0.48 0.00 -0.05 0.00 0.00 57.45 56.79 3jr2 n PHE 180 Cb 0.28 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 3jr2 n PHE 180 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3jr2 n GLU 181 N 1.01 1.25 -0.24 -1.08 2.13 -1.01 -1.27 120.64 121.43 3jr2 n GLU 181 Ca 0.17 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.44 3jr2 n GLU 181 Cb 0.50 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.25 3jr2 n GLU 181 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3jr2 n GLY 182 N 2.02 1.65 3.74 8.31 0.00 -1.26 -5.03 105.19 114.62 3jr2 n GLY 182 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3jr2 n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jr2 s ILE 183 N -2.93 5.11 -0.26 -0.61 1.01 -0.39 -5.01 121.20 118.12 3jr2 s ILE 183 Ca 0.00 1.02 -0.28 0.00 0.00 0.00 0.00 60.65 61.39 3jr2 s ILE 183 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3jr2 s ILE 183 CO 0.00 0.37 2.02 -0.54 0.00 0.00 0.00 174.94 176.79 3jr2 s LYS 184 N 0.29 3.26 -0.16 2.79 1.02 -1.26 -4.93 119.74 120.75 3jr2 s LYS 184 Ca 0.27 1.79 0.00 0.00 0.02 0.00 0.00 55.97 58.06 3jr2 s LYS 184 Cb -0.16 -4.29 0.03 0.00 -0.52 0.00 0.00 37.83 32.89 3jr2 s LYS 184 CO 0.12 -1.95 -0.13 0.99 -0.92 0.00 0.00 175.35 173.47 3jr2 s THR 185 N 7.53 1.53 -0.13 2.17 2.01 -1.26 -1.66 115.64 125.82 3jr2 s THR 185 Ca 0.91 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.97 3jr2 s THR 185 Cb -0.29 -1.48 -0.26 0.00 0.01 0.00 0.00 72.50 70.48 3jr2 s THR 185 CO 0.35 0.39 0.72 0.50 -0.69 0.00 0.00 174.62 175.88 3jr2 h LYS 186 N 8.05 0.06 -3.74 4.92 1.63 -0.21 -3.33 116.57 123.96 3jr2 h LYS 186 Ca -0.35 -0.10 -0.08 0.00 -0.85 0.00 0.00 60.65 59.27 3jr2 h LYS 186 Cb 1.13 0.04 -0.14 0.00 -0.60 0.00 0.00 32.23 32.66 3jr2 h LYS 186 CO 0.51 1.05 -0.31 0.95 -3.45 0.00 0.00 179.45 178.19 3jr2 s THR 187 N -2.28 0.12 -0.07 1.00 -4.23 -1.20 -4.51 115.64 104.47 3jr2 s THR 187 Ca -0.19 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 3jr2 s THR 187 Cb -0.01 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 3jr2 s THR 187 CO 0.71 -0.57 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.79 3jr2 s PHE 188 N -3.86 2.95 -0.13 3.99 0.40 -1.26 -1.12 117.98 118.95 3jr2 s PHE 188 Ca 0.05 -0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 3jr2 s PHE 188 Cb 0.04 -1.73 -0.00 0.00 0.51 0.00 0.00 43.02 41.84 3jr2 s PHE 188 CO -0.10 0.31 -0.18 0.42 0.70 0.00 0.00 175.22 176.36 3jr2 s ILE 189 N -0.72 2.48 0.28 0.64 1.01 -0.34 -1.06 121.20 123.49 3jr2 s ILE 189 Ca 0.11 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3jr2 s ILE 189 Cb -0.11 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3jr2 s ILE 189 CO 0.02 0.53 0.10 0.00 0.00 0.00 0.00 174.94 175.59 3jr2 s ALA 190 N 0.60 1.91 0.00 9.38 0.00 -0.20 -4.43 121.76 129.03 3jr2 s ALA 190 Ca -0.10 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 49.99 3jr2 s ALA 190 Cb -0.16 0.98 0.00 0.00 0.00 0.00 0.00 23.12 23.93 3jr2 s ALA 190 CO 0.03 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3jr2 n GLY 191 N -0.53 1.24 0.34 0.00 0.00 -1.26 -1.12 105.19 103.85 3jr2 n GLY 191 Ca -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3jr2 n GLY 191 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3jr2 h ARG 192 N 0.00 0.53 -0.37 1.61 3.08 -1.95 -0.82 114.38 116.46 3jr2 h ARG 192 Ca 0.00 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.13 3jr2 h ARG 192 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3jr2 h ARG 192 CO 0.00 0.35 0.46 0.00 -1.07 0.00 0.00 179.97 179.71 3jr2 h ALA 193 N 1.69 2.04 0.00 0.04 0.00 -1.96 0.01 119.26 121.08 3jr2 h ALA 193 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3jr2 h ALA 193 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3jr2 h ALA 193 CO -0.07 -0.65 -1.57 1.28 0.00 0.00 0.00 179.25 178.24 3jr2 n LEU 194 N -3.58 0.37 -4.77 0.00 4.77 -0.32 -4.40 117.00 109.08 3jr2 n LEU 194 Ca 0.06 -0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 3jr2 n LEU 194 Cb 0.62 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.78 3jr2 n LEU 194 CO 0.25 0.05 0.70 0.00 -1.33 0.00 0.00 177.39 177.06 3jr2 s ALA 195 N -3.35 2.25 0.04 -1.18 0.00 -0.01 -4.30 121.76 115.22 3jr2 s ALA 195 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3jr2 s ALA 195 Cb 0.14 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3jr2 s ALA 195 CO 0.88 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 175.29 3jr2 n GLY 196 N -1.12 -1.54 0.35 0.00 0.00 -1.26 -3.85 105.19 97.77 3jr2 n GLY 196 Ca 0.09 -1.20 0.07 0.00 0.00 0.00 0.00 46.02 44.99 3jr2 n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jr2 h ALA 197 N -0.63 1.76 -0.16 4.61 0.00 -1.99 -1.45 119.26 121.41 3jr2 h ALA 197 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jr2 h ALA 197 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3jr2 h ALA 197 CO 0.00 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.77 3jr2 n GLU 198 N -4.48 1.80 0.14 0.00 1.02 -1.26 -4.40 120.64 113.45 3jr2 n GLU 198 Ca 0.10 -1.19 -0.14 0.00 -0.02 0.00 0.00 57.16 55.91 3jr2 n GLU 198 Cb 0.24 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 3jr2 n GLU 198 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3jr2 h GLY 199 N 4.94 -0.72 1.02 0.62 0.00 -1.36 0.16 103.07 107.74 3jr2 h GLY 199 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 3jr2 h GLY 199 CO 0.00 -0.26 0.44 -1.61 0.00 0.00 0.00 176.54 175.10 3jr2 h GLN 200 N -0.61 1.18 -0.26 4.80 4.15 -1.80 0.40 115.11 122.96 3jr2 h GLN 200 Ca 0.02 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.19 3jr2 h GLN 200 Cb 0.62 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3jr2 h GLN 200 CO -0.18 0.88 -0.26 0.37 -1.93 0.00 0.00 178.83 177.71 3jr2 h GLN 201 N 1.17 0.51 -0.12 1.69 4.15 -1.82 -1.25 115.11 119.43 3jr2 h GLN 201 Ca 0.29 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3jr2 h GLN 201 Cb 0.06 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 3jr2 h GLN 201 CO -0.04 0.72 0.02 1.15 -1.93 0.00 0.00 178.83 178.75 3jr2 h THR 202 N 0.45 1.21 -0.73 2.39 2.02 0.13 -0.99 112.91 117.39 3jr2 h THR 202 Ca 0.06 -0.67 0.14 0.00 0.77 0.00 0.00 66.41 66.71 3jr2 h THR 202 Cb 0.69 1.43 -0.10 0.00 -1.74 0.00 0.00 68.15 68.43 3jr2 h THR 202 CO 0.05 0.20 0.24 0.00 0.37 0.00 0.00 175.52 176.38 3jr2 h ALA 203 N 0.80 0.98 -0.52 6.16 0.00 -0.21 -1.76 119.26 124.71 3jr2 h ALA 203 Ca 0.04 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3jr2 h ALA 203 Cb 0.29 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3jr2 h ALA 203 CO 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 179.25 178.84 3jr2 h ALA 204 N 1.55 0.74 -0.52 0.00 0.00 -0.90 -1.44 119.26 118.70 3jr2 h ALA 204 Ca 0.40 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3jr2 h ALA 204 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3jr2 h ALA 204 CO -0.43 0.67 0.29 0.00 0.00 0.00 0.00 179.25 179.78 3jr2 h ALA 205 N 0.92 0.67 0.23 0.00 0.00 -0.98 -1.26 119.26 118.83 3jr2 h ALA 205 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3jr2 h ALA 205 Cb 0.72 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3jr2 h ALA 205 CO 0.06 0.19 -0.23 -0.07 0.00 0.00 0.00 179.25 179.19 3jr2 h LEU 206 N 0.70 -0.63 -1.00 0.00 3.38 -1.09 -2.49 115.31 114.17 3jr2 h LEU 206 Ca 0.18 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.36 3jr2 h LEU 206 Cb 0.05 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3jr2 h LEU 206 CO -0.03 -0.34 0.62 0.03 0.09 0.00 0.00 178.44 178.81 3jr2 h ARG 207 N -0.50 0.88 -0.27 1.13 3.08 -1.02 0.17 114.38 117.84 3jr2 h ARG 207 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3jr2 h ARG 207 Cb 0.47 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3jr2 h ARG 207 CO -0.06 0.58 0.16 0.93 -1.07 0.00 0.00 179.97 180.51 3jr2 h GLU 208 N 0.91 0.38 -0.41 0.04 5.08 -1.05 0.39 114.58 119.91 3jr2 h GLU 208 Ca 0.53 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 3jr2 h GLU 208 Cb 0.65 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3jr2 h GLU 208 CO -0.31 0.31 0.17 1.96 -1.00 0.00 0.00 179.01 180.14 3jr2 h GLN 209 N 0.34 0.60 -0.85 2.33 1.08 -0.96 -2.54 115.11 115.12 3jr2 h GLN 209 Ca 0.10 -0.10 0.10 0.00 -1.45 0.00 0.00 58.65 57.29 3jr2 h GLN 209 Cb 0.04 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.30 3jr2 h GLN 209 CO -0.02 0.56 0.50 0.82 -0.95 0.00 0.00 178.83 179.74 3jr2 h ILE 210 N 0.51 0.92 0.00 2.54 2.04 -0.23 -1.64 117.51 121.65 3jr2 h ILE 210 Ca 0.14 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3jr2 h ILE 210 Cb 0.17 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3jr2 h ILE 210 CO -0.01 0.15 -0.26 0.44 0.00 0.00 0.00 178.15 178.47 3jr2 h ASP 211 N 0.83 0.00 0.60 1.72 3.32 0.06 -1.27 116.42 121.69 3jr2 h ASP 211 Ca 0.41 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.34 3jr2 h ASP 211 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3jr2 h ASP 211 CO -0.25 0.26 -0.56 0.03 -1.72 0.00 0.00 179.24 177.01 3jr2 h ARG 212 N 0.00 0.00 0.00 3.56 3.08 -0.89 -3.35 114.38 116.78 3jr2 h ARG 212 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3jr2 h ARG 212 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3jr2 h ARG 212 CO 0.03 0.56 -0.80 1.19 -1.07 0.00 0.00 179.97 179.88 3jr2 n PHE 213 N -3.82 0.00 -0.10 3.04 3.72 -0.83 -5.13 117.46 114.34 3jr2 n PHE 213 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3jr2 n PHE 213 Cb 0.57 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3jr2 n PHE 213 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62