#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtc s PRO 2 N 0.00 4.25 0.23 3.69 0.04 -1.26 -4.57 135.00 137.39 2jtc s PRO 2 Ca 0.00 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 2jtc s PRO 2 Cb 0.00 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2jtc s PRO 2 CO 0.00 -0.02 0.93 0.08 0.04 0.00 0.00 177.00 178.03 2jtc s VAL 3 N -2.02 4.10 -0.04 -0.36 1.01 -1.26 -4.19 120.40 117.64 2jtc s VAL 3 Ca 0.60 2.05 0.01 0.00 0.00 0.00 0.00 61.98 64.64 2jtc s VAL 3 Cb -0.12 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.97 2jtc s VAL 3 CO 0.17 0.50 -0.05 -0.69 0.00 0.00 0.00 175.10 175.02 2jtc s VAL 4 N -1.18 0.59 0.99 2.92 1.01 0.48 -4.83 120.40 120.37 2jtc s VAL 4 Ca 0.41 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.06 2jtc s VAL 4 Cb -0.26 -0.59 0.19 0.00 0.00 0.00 0.00 36.38 35.72 2jtc s VAL 4 CO 0.31 0.23 1.23 -0.54 0.00 0.00 0.00 175.10 176.33 2jtc s LYS 5 N 0.77 0.48 -0.41 2.72 -0.14 -1.26 0.24 119.74 122.14 2jtc s LYS 5 Ca -0.11 -0.16 -0.29 0.00 -1.36 0.00 0.00 55.97 54.05 2jtc s LYS 5 Cb -0.14 -1.80 0.02 0.00 -1.68 0.00 0.00 37.83 34.23 2jtc s LYS 5 CO 0.01 -2.56 1.28 0.45 -0.76 0.00 0.00 175.35 173.77 2jtc s SER 6 N -4.51 6.53 0.10 2.83 0.15 -1.20 -3.43 113.70 114.17 2jtc s SER 6 Ca 0.70 0.78 -0.23 0.00 0.70 0.00 0.00 55.95 57.90 2jtc s SER 6 Cb -0.08 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.58 2jtc s SER 6 CO 0.53 -1.28 1.71 -0.07 1.20 0.00 0.00 173.24 175.33 2jtc h LEU 7 N 11.53 -0.16 -1.57 3.45 3.38 0.52 0.58 115.31 133.03 2jtc h LEU 7 Ca -0.25 0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.84 2jtc h LEU 7 Cb 1.09 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 2jtc h LEU 7 CO 1.09 -0.08 0.43 -0.07 0.09 0.00 0.00 178.44 179.89 2jtc h LEU 8 N -0.10 0.43 -0.51 1.67 3.38 -1.90 0.00 115.31 118.29 2jtc h LEU 8 Ca 0.03 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2jtc h LEU 8 Cb 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2jtc h LEU 8 CO -0.07 0.26 -0.06 -0.78 0.09 0.00 0.00 178.44 177.88 2jtc h ASP 9 N 0.48 0.93 0.00 -0.43 1.82 -1.31 0.89 116.42 118.81 2jtc h ASP 9 Ca 0.30 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2jtc h ASP 9 Cb 0.53 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2jtc h ASP 9 CO -0.09 1.05 0.08 0.77 -1.61 0.00 0.00 179.24 179.44 2jtc h SER 10 N 0.80 0.00 0.00 2.28 4.64 0.10 0.45 113.55 121.82 2jtc h SER 10 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2jtc h SER 10 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2jtc h SER 10 CO 0.04 0.00 -0.06 0.29 -0.87 0.00 0.00 176.83 176.23 2jtc n LYS 11 N -2.40 1.16 -4.41 4.77 5.02 -0.57 -4.97 118.16 116.77 2jtc n LYS 11 Ca -0.02 -2.36 -0.38 0.00 -2.02 0.00 0.00 58.31 53.53 2jtc n LYS 11 Cb 0.11 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 2jtc n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtc n GLY 12 N -1.25 -0.35 3.47 0.72 0.00 0.16 -4.57 105.19 103.38 2jtc n GLY 12 Ca 0.14 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2jtc n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 13 N -3.52 4.25 -0.57 -0.61 1.01 0.29 -2.53 121.20 119.53 2jtc s ILE 13 Ca 0.61 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 61.14 2jtc s ILE 13 Cb -0.35 -4.70 0.21 0.00 0.01 0.00 0.00 42.46 37.63 2jtc s ILE 13 CO 1.00 -1.47 0.54 1.41 0.00 0.00 0.00 174.94 176.41 2jtc n HIS 14 N 7.90 1.80 -1.97 3.97 8.25 0.71 -4.69 115.22 131.19 2jtc n HIS 14 Ca -0.02 -3.91 -0.28 0.00 -0.26 0.00 0.00 57.72 53.24 2jtc n HIS 14 Cb 0.46 -0.37 0.09 0.00 1.12 0.00 0.00 29.99 31.29 2jtc n HIS 14 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2jtc s TYR 15 N -1.38 2.94 0.18 4.41 2.02 -1.23 -3.90 117.35 120.40 2jtc s TYR 15 Ca 0.33 0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 57.70 2jtc s TYR 15 Cb 0.07 -3.43 0.00 0.00 -0.40 0.00 0.00 41.96 38.20 2jtc s TYR 15 CO -0.12 -1.70 0.25 -1.71 -1.57 0.00 0.00 175.55 170.70 2jtc n ASN 16 N -3.23 -0.70 -0.15 2.29 2.85 -1.26 -4.86 115.26 110.20 2jtc n ASN 16 Ca 0.08 -1.97 0.06 0.00 -0.11 0.00 0.00 54.58 52.65 2jtc n ASN 16 Cb 0.61 1.31 0.09 0.00 1.24 0.00 0.00 39.78 43.03 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jtc n GLN 17 N -0.30 1.17 0.00 1.20 6.02 -1.26 -4.65 117.38 119.56 2jtc n GLN 17 Ca 0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.97 2jtc n GLN 17 Cb 0.30 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.38 2jtc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jtc n GLY 18 N -0.96 0.40 0.00 1.08 0.00 -1.26 -2.96 105.19 101.48 2jtc n GLY 18 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jtc n GLY 18 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jtc n ASN 19 N -0.31 0.00 -0.24 1.61 2.04 -1.26 -2.94 115.26 114.17 2jtc n ASN 19 Ca 0.00 0.00 0.08 0.00 -0.44 0.00 0.00 54.58 54.22 2jtc n ASN 19 Cb 0.00 0.00 0.38 0.00 -2.53 0.00 0.00 39.78 37.63 2jtc n ASN 19 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 2jtc n PRO 20 N 0.00 1.31 0.01 -0.53 -0.04 -1.26 -3.69 135.00 130.80 2jtc n PRO 20 Ca 0.00 -0.46 -0.11 0.00 -0.04 0.00 0.00 63.50 62.89 2jtc n PRO 20 Cb 0.00 -1.28 -0.14 0.00 -0.04 0.00 0.00 33.50 32.04 2jtc n PRO 20 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jtc h TYR 21 N 0.89 0.13 -0.84 0.54 0.05 -1.83 -3.05 116.97 112.86 2jtc h TYR 21 Ca 0.00 -0.09 -0.38 0.00 0.05 0.00 0.00 58.73 58.31 2jtc h TYR 21 Cb 0.20 -0.01 -0.23 0.00 1.01 0.00 0.00 36.73 37.71 2jtc h TYR 21 CO 0.06 1.14 0.45 0.27 -1.05 0.00 0.00 178.16 179.03 2jtc n ASN 22 N -3.22 3.97 0.00 3.88 6.94 -1.15 -4.09 115.26 121.59 2jtc n ASN 22 Ca -0.15 -3.50 0.12 0.00 -0.02 0.00 0.00 54.58 51.04 2jtc n ASN 22 Cb 1.03 -0.78 0.64 0.00 -2.36 0.00 0.00 39.78 38.31 2jtc n ASN 22 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2jtc n LEU 23 N -0.82 0.00 -0.45 -4.53 4.77 -1.25 -3.06 117.00 111.66 2jtc n LEU 23 Ca 0.51 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.75 2jtc n LEU 23 Cb 1.51 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 42.44 2jtc n LEU 23 CO 0.50 -0.04 0.36 0.18 -1.33 0.00 0.00 177.39 177.06 2jtc n LEU 24 N -1.22 1.16 -4.93 2.23 4.77 -1.26 -4.98 117.00 112.76 2jtc n LEU 24 Ca 0.13 -2.08 -0.25 0.00 -0.03 0.00 0.00 56.01 53.78 2jtc n LEU 24 Cb 0.17 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2jtc n LEU 24 CO 0.18 0.53 0.41 0.42 -1.33 0.00 0.00 177.39 177.59 2jtc s THR 25 N -1.30 3.90 0.25 -5.08 -4.23 -1.17 -4.76 115.64 103.25 2jtc s THR 25 Ca 0.18 -0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 60.17 2jtc s THR 25 Cb 0.17 -3.49 -0.09 0.00 1.34 0.00 0.00 72.50 70.42 2jtc s THR 25 CO -0.01 -0.43 1.30 -2.16 -0.54 0.00 0.00 174.62 172.78 2jtc s PRO 26 N -4.77 4.39 0.40 3.99 0.04 -1.26 -4.61 135.00 133.19 2jtc s PRO 26 Ca 0.51 2.09 -0.22 0.00 0.04 0.00 0.00 61.00 63.42 2jtc s PRO 26 Cb -0.10 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 31.18 2jtc s PRO 26 CO 0.42 -0.21 0.95 0.08 0.04 0.00 0.00 177.00 178.28 2jtc s VAL 27 N -0.35 4.35 0.42 -0.36 1.01 -1.26 -1.35 120.40 122.86 2jtc s VAL 27 Ca 0.54 1.56 -0.22 0.00 0.00 0.00 0.00 61.98 63.86 2jtc s VAL 27 Cb -0.37 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 2jtc s VAL 27 CO 0.43 -0.21 0.97 -0.63 0.00 0.00 0.00 175.10 175.66 2jtc s ILE 28 N -2.05 4.21 0.00 2.22 1.01 0.50 -4.83 121.20 122.25 2jtc s ILE 28 Ca 0.59 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.72 2jtc s ILE 28 Cb -0.11 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2jtc s ILE 28 CO 0.16 -0.20 0.00 -0.62 0.00 0.00 0.00 174.94 174.28 2jtc n GLU 29 N -0.44 1.99 -4.43 2.79 1.02 0.70 0.39 120.64 122.67 2jtc n GLU 29 Ca 0.06 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.94 2jtc n GLU 29 Cb 0.53 -0.84 -0.09 0.00 -0.02 0.00 0.00 31.44 31.02 2jtc n GLU 29 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jtc s LYS 30 N -1.36 2.03 0.06 3.49 1.02 0.14 -4.78 119.74 120.35 2jtc s LYS 30 Ca 0.00 -1.94 0.07 0.00 0.02 0.00 0.00 55.97 54.12 2jtc s LYS 30 Cb 0.00 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 2jtc s LYS 30 CO 0.00 0.00 -0.14 0.08 -0.92 0.00 0.00 175.35 174.37 2jtc s VAL 31 N -2.63 3.10 0.58 3.17 1.01 -1.18 -4.23 120.40 120.22 2jtc s VAL 31 Ca 0.36 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 2jtc s VAL 31 Cb 0.05 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 2jtc s VAL 31 CO 0.19 0.25 1.01 -0.75 0.00 0.00 0.00 175.10 175.80 2jtc s LYS 32 N -1.76 3.72 -0.39 2.72 2.36 -1.26 -4.81 119.74 120.33 2jtc s LYS 32 Ca 0.17 0.83 -0.27 0.00 -2.55 0.00 0.00 55.97 54.15 2jtc s LYS 32 Cb -0.11 -2.10 0.02 0.00 -1.05 0.00 0.00 37.83 34.59 2jtc s LYS 32 CO 0.09 -0.46 1.00 -1.25 1.55 0.00 0.00 175.35 176.28 2jtc s PRO 33 N -4.77 3.84 0.00 4.03 0.04 -1.26 -3.11 135.00 133.77 2jtc s PRO 33 Ca 0.56 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2jtc s PRO 33 Cb -0.11 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2jtc s PRO 33 CO 0.46 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2jtc n GLY 34 N 4.41 0.74 3.38 0.56 0.00 -1.26 -5.07 105.19 107.94 2jtc n GLY 34 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 2jtc n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jtc s GLU 35 N -0.85 1.42 1.36 1.61 2.12 -1.18 -5.14 118.70 118.04 2jtc s GLU 35 Ca 0.00 -1.64 -0.23 0.00 0.36 0.00 0.00 54.97 53.46 2jtc s GLU 35 Cb 0.00 -1.25 0.35 0.00 0.26 0.00 0.00 34.13 33.49 2jtc s GLU 35 CO 0.00 0.20 0.84 1.04 -0.54 0.00 0.00 175.26 176.80 2jtc n GLN 36 N -0.45 -4.57 -3.13 4.30 6.02 -1.26 -4.60 117.38 113.69 2jtc n GLN 36 Ca -0.07 -1.40 -0.39 0.00 -0.01 0.00 0.00 57.00 55.13 2jtc n GLN 36 Cb 0.61 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 2jtc n GLN 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jtc s SER 37 N -3.17 7.21 -0.07 1.08 0.15 -1.26 -4.36 113.70 113.29 2jtc s SER 37 Ca 0.63 1.44 0.10 0.00 0.70 0.00 0.00 55.95 58.82 2jtc s SER 37 Cb -0.11 -2.43 0.15 0.00 -1.71 0.00 0.00 66.02 61.93 2jtc s SER 37 CO 0.53 0.23 1.06 0.49 1.20 0.00 0.00 173.24 176.74 2jtc n PHE 38 N 1.73 0.00 -1.98 3.44 3.72 -1.26 -5.02 117.46 118.09 2jtc n PHE 38 Ca -0.08 -0.70 -0.41 0.00 -0.05 0.00 0.00 57.45 56.21 2jtc n PHE 38 Cb 0.50 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.93 2jtc n PHE 38 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2jtc s VAL 39 N -1.87 2.42 0.00 -4.37 1.01 -1.26 -1.42 120.40 114.91 2jtc s VAL 39 Ca 0.17 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2jtc s VAL 39 Cb 0.15 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2jtc s VAL 39 CO 0.02 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2jtc n GLY 40 N 0.68 0.88 3.72 4.51 0.00 0.16 -4.89 105.19 110.26 2jtc n GLY 40 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2jtc n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jtc s GLN 41 N -0.02 4.39 -0.39 1.61 -0.21 -0.50 -4.74 119.66 119.79 2jtc s GLN 41 Ca 0.00 0.68 -0.29 0.00 0.02 0.00 0.00 55.36 55.78 2jtc s GLN 41 Cb 0.00 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.58 2jtc s GLN 41 CO 0.00 0.12 1.52 -1.01 -2.12 0.00 0.00 175.29 173.80 2jtc s HIS 42 N 0.66 2.24 0.92 0.91 3.76 -1.26 -0.37 115.29 122.14 2jtc s HIS 42 Ca 0.32 0.66 -0.13 0.00 -0.15 0.00 0.00 55.06 55.75 2jtc s HIS 42 Cb -0.17 -4.26 0.02 0.00 1.11 0.00 0.00 32.58 29.29 2jtc s HIS 42 CO 0.15 -2.26 0.42 0.00 -0.85 0.00 0.00 174.74 172.19 2jtc n ALA 43 N 9.20 -2.44 -1.72 -1.40 0.00 -0.46 -4.90 120.51 118.78 2jtc n ALA 43 Ca 0.18 -0.55 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 2jtc n ALA 43 Cb 0.48 -1.80 0.08 0.00 0.00 0.00 0.00 19.45 18.20 2jtc n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtc s ALA 44 N -2.31 2.47 0.14 0.00 0.00 -1.04 -4.67 121.76 116.36 2jtc s ALA 44 Ca 0.58 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.24 2jtc s ALA 44 Cb -0.23 -3.04 -0.13 0.00 0.00 0.00 0.00 23.12 19.71 2jtc s ALA 44 CO 0.66 -1.60 1.32 1.79 0.00 0.00 0.00 175.76 177.94 2jtc h THR 45 N -0.99 1.67 0.00 0.00 1.35 -1.82 -3.42 112.91 109.70 2jtc h THR 45 Ca -0.47 -3.23 0.00 0.00 -0.55 0.00 0.00 66.41 62.16 2jtc h THR 45 Cb 1.28 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 2jtc h THR 45 CO 0.62 0.92 0.00 0.61 -0.25 0.00 0.00 175.52 177.43 2jtc n GLY 46 N 1.19 2.09 0.15 5.82 0.00 -1.24 -4.33 105.19 108.87 2jtc n GLY 46 Ca -0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 2jtc n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jtc h SER 47 N 0.00 -0.03 -0.59 1.61 4.64 -1.90 -0.76 113.55 116.52 2jtc h SER 47 Ca 0.00 0.06 0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2jtc h SER 47 Cb 0.00 0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 62.07 2jtc h SER 47 CO 0.00 0.02 -0.28 0.58 -0.87 0.00 0.00 176.83 176.28 2jtc h VAL 48 N 0.16 0.23 0.07 0.95 2.07 -1.82 1.24 116.25 119.14 2jtc h VAL 48 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 2jtc h VAL 48 Cb 0.19 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2jtc h VAL 48 CO -0.23 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.33 2jtc h ALA 49 N 1.17 -0.09 0.00 1.67 0.00 -1.47 -2.13 119.26 118.40 2jtc h ALA 49 Ca 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2jtc h ALA 49 Cb 0.53 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jtc h ALA 49 CO -0.66 -0.51 -0.20 1.15 0.00 0.00 0.00 179.25 179.02 2jtc h THR 50 N -0.17 0.99 -0.29 0.00 2.02 0.20 1.01 112.91 116.67 2jtc h THR 50 Ca -0.01 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 2jtc h THR 50 Cb 0.14 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2jtc h THR 50 CO 0.02 0.20 -0.01 0.00 0.37 0.00 0.00 175.52 176.09 2jtc h ALA 51 N 1.80 0.40 0.00 6.16 0.00 0.19 -2.10 119.26 125.70 2jtc h ALA 51 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2jtc h ALA 51 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jtc h ALA 51 CO 0.03 0.15 -0.03 1.15 0.00 0.00 0.00 179.25 180.55 2jtc h THR 52 N 0.31 1.64 -0.94 0.00 2.02 -0.75 -3.09 112.91 112.09 2jtc h THR 52 Ca 0.08 -1.90 0.23 0.00 0.77 0.00 0.00 66.41 65.58 2jtc h THR 52 Cb 0.45 2.92 -0.07 0.00 -1.74 0.00 0.00 68.15 69.72 2jtc h THR 52 CO 0.02 0.50 0.63 0.00 0.37 0.00 0.00 175.52 177.03 2jtc h ALA 53 N 0.20 2.32 0.17 6.16 0.00 0.99 1.70 119.26 130.79 2jtc h ALA 53 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jtc h ALA 53 Cb 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jtc h ALA 53 CO 0.01 -0.63 -0.08 1.96 0.00 0.00 0.00 179.25 180.51 2jtc h GLN 54 N 0.34 -0.21 0.00 0.00 4.20 -1.41 0.37 115.11 118.39 2jtc h GLN 54 Ca 0.49 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.21 2jtc h GLN 54 Cb 1.34 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 2jtc h GLN 54 CO -0.18 0.12 -0.04 0.82 -0.67 0.00 0.00 178.83 178.89 2jtc h ILE 55 N -0.58 0.59 -0.21 2.54 2.04 -0.68 0.91 117.51 122.12 2jtc h ILE 55 Ca -0.02 -0.15 -0.15 0.00 1.00 0.00 0.00 64.86 65.54 2jtc h ILE 55 Cb 0.44 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2jtc h ILE 55 CO 0.04 0.03 -0.49 0.24 0.00 0.00 0.00 178.15 177.97 2jtc h MET 56 N 0.00 0.55 0.01 2.37 2.86 0.32 -2.80 114.93 118.25 2jtc h MET 56 Ca -0.00 -0.32 -0.25 0.00 -2.06 0.00 0.00 59.70 57.07 2jtc h MET 56 Cb 0.09 0.02 0.02 0.00 0.06 0.00 0.00 31.60 31.79 2jtc h MET 56 CO 0.00 0.92 -0.98 -0.22 1.06 0.00 0.00 176.91 177.70 2jtc h LYS 57 N 0.44 0.64 -0.34 1.72 1.63 0.40 0.58 116.57 121.64 2jtc h LYS 57 Ca 0.02 -0.71 0.10 0.00 -0.85 0.00 0.00 60.65 59.21 2jtc h LYS 57 Cb 1.01 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 2jtc h LYS 57 CO 0.09 1.29 0.38 -0.92 -3.45 0.00 0.00 179.45 176.84 2jtc h TYR 58 N 0.28 0.00 0.00 1.91 5.03 0.74 -1.85 116.97 123.08 2jtc h TYR 58 Ca -0.13 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.01 2jtc h TYR 58 Cb 1.64 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.89 2jtc h TYR 58 CO 0.11 0.00 -1.78 0.72 -1.32 0.00 0.00 178.16 175.89 2jtc n HIS 59 N -3.71 0.00 -3.72 -3.82 8.25 -1.07 -5.01 115.22 106.13 2jtc n HIS 59 Ca 0.06 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.20 2jtc n HIS 59 Cb 0.54 -0.54 0.03 0.00 1.12 0.00 0.00 29.99 31.14 2jtc n HIS 59 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2jtc n ASN 60 N -2.35 -5.26 0.00 0.41 4.13 0.20 -4.93 115.26 107.47 2jtc n ASN 60 Ca -0.16 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.10 2jtc n ASN 60 Cb 0.78 -3.02 0.00 0.00 -1.54 0.00 0.00 39.78 36.00 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jtc n TYR 61 N -4.01 0.00 -2.16 3.10 9.36 -1.25 -4.80 117.16 117.40 2jtc n TYR 61 Ca -0.11 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.69 2jtc n TYR 61 Cb 0.59 -0.04 -0.03 0.00 -0.63 0.00 0.00 39.34 39.23 2jtc n TYR 61 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2jtc s PRO 62 N -0.11 3.27 0.48 2.98 0.04 -1.26 -4.78 135.00 135.63 2jtc s PRO 62 Ca 0.00 1.00 0.25 0.00 0.04 0.00 0.00 61.00 62.29 2jtc s PRO 62 Cb 0.00 -4.17 1.20 0.00 0.04 0.00 0.00 34.50 31.57 2jtc s PRO 62 CO 0.00 -1.94 1.96 -0.91 0.04 0.00 0.00 177.00 176.15 2jtc h ASN 63 N 12.37 0.00 -3.39 6.66 4.21 -1.87 -3.38 115.58 130.18 2jtc h ASN 63 Ca -0.30 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 56.72 2jtc h ASN 63 Cb 1.14 0.00 -0.34 0.00 -1.12 0.00 0.00 38.32 38.00 2jtc h ASN 63 CO 1.10 0.18 -0.80 -0.75 -1.29 0.00 0.00 177.43 175.87 2jtc s LYS 64 N -3.99 1.48 1.03 0.81 2.20 -1.26 -0.48 119.74 119.54 2jtc s LYS 64 Ca -0.02 -0.32 -0.13 0.00 -0.36 0.00 0.00 55.97 55.15 2jtc s LYS 64 Cb 0.12 -1.31 0.15 0.00 -1.51 0.00 0.00 37.83 35.28 2jtc s LYS 64 CO 0.61 -0.04 0.71 0.41 -0.36 0.00 0.00 175.35 176.68 2jtc n GLY 65 N 4.04 -1.61 0.11 5.54 0.00 -0.81 -4.83 105.19 107.63 2jtc n GLY 65 Ca -0.22 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 2jtc n GLY 65 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jtc n LEU 66 N -3.21 1.67 -3.70 0.99 0.00 0.11 -4.12 117.00 108.74 2jtc n LEU 66 Ca 0.06 0.06 -0.11 0.00 0.00 0.00 0.00 56.01 56.02 2jtc n LEU 66 Cb 0.55 -0.35 -0.10 0.00 0.00 0.00 0.00 43.42 43.52 2jtc n LEU 66 CO 0.52 0.70 0.11 -0.75 0.00 0.00 0.00 177.39 177.97 2jtc s LYS 67 N -2.53 0.48 1.21 1.96 2.20 0.69 -4.44 119.74 119.30 2jtc s LYS 67 Ca -0.20 0.76 -0.16 0.00 -0.36 0.00 0.00 55.97 56.01 2jtc s LYS 67 Cb 0.07 0.11 0.29 0.00 -1.51 0.00 0.00 37.83 36.79 2jtc s LYS 67 CO 0.74 -0.12 1.02 -0.51 -0.36 0.00 0.00 175.35 176.12 2jtc s ASP 68 N 0.94 0.72 -0.07 1.43 1.01 -1.26 -3.04 116.67 116.39 2jtc s ASP 68 Ca -0.06 1.16 -0.20 0.00 0.71 0.00 0.00 52.55 54.15 2jtc s ASP 68 Cb -0.06 -1.76 0.04 0.00 1.01 0.00 0.00 42.92 42.16 2jtc s ASP 68 CO -0.08 -4.31 0.48 -0.47 0.21 0.00 0.00 175.17 171.00 2jtc s TYR 69 N -2.58 -0.43 0.24 4.23 6.14 -0.41 -4.79 117.35 119.75 2jtc s TYR 69 Ca 0.68 0.83 -0.11 0.00 0.64 0.00 0.00 57.07 59.11 2jtc s TYR 69 Cb -0.19 0.22 -0.01 0.00 0.42 0.00 0.00 41.96 42.40 2jtc s TYR 69 CO 0.61 -0.42 0.43 -0.08 0.64 0.00 0.00 175.55 176.73 2jtc s THR 70 N -0.84 0.00 -0.09 4.34 -1.32 -1.26 0.82 115.64 117.29 2jtc s THR 70 Ca -0.09 -1.47 -0.30 0.00 -1.21 0.00 0.00 61.69 58.62 2jtc s THR 70 Cb -0.03 -2.22 0.12 0.00 -1.51 0.00 0.00 72.50 68.86 2jtc s THR 70 CO 0.05 -0.01 1.00 -0.72 -2.21 0.00 0.00 174.62 172.72 2jtc s TYR 71 N -4.03 -0.30 -0.08 9.09 1.13 -0.76 -4.95 117.35 117.46 2jtc s TYR 71 Ca 0.24 0.29 -0.16 0.00 -1.41 0.00 0.00 57.07 56.03 2jtc s TYR 71 Cb 0.00 0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 41.32 2jtc s TYR 71 CO 0.09 -0.41 0.42 0.99 -2.51 0.00 0.00 175.55 174.14 2jtc s THR 72 N -2.39 5.14 0.57 -3.49 2.01 -1.26 -0.98 115.64 115.23 2jtc s THR 72 Ca 0.04 0.85 -0.18 0.00 0.31 0.00 0.00 61.69 62.71 2jtc s THR 72 Cb -0.01 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 2jtc s THR 72 CO -0.05 0.43 0.65 -0.11 -0.69 0.00 0.00 174.62 174.85 2jtc n LEU 73 N 2.94 1.52 -4.78 4.42 7.94 0.21 -4.86 117.00 124.40 2jtc n LEU 73 Ca -0.10 0.77 -0.41 0.00 -1.11 0.00 0.00 56.01 55.16 2jtc n LEU 73 Cb 0.52 -1.23 -0.00 0.00 0.53 0.00 0.00 43.42 43.24 2jtc n LEU 73 CO 0.40 -2.71 1.10 -0.55 -1.11 0.00 0.00 177.39 174.53 2jtc s SER 74 N -1.17 6.30 0.00 1.96 0.15 -1.26 -4.81 113.70 114.86 2jtc s SER 74 Ca 0.70 2.97 0.12 0.00 0.70 0.00 0.00 55.95 60.44 2jtc s SER 74 Cb -0.45 -2.66 0.64 0.00 -1.71 0.00 0.00 66.02 61.84 2jtc s SER 74 CO 0.53 -0.89 1.26 -1.54 1.20 0.00 0.00 173.24 173.79 2jtc n SER 75 N 0.36 0.00 -0.38 5.45 3.41 -1.26 -1.43 113.62 119.77 2jtc n SER 75 Ca 0.02 -0.02 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 2jtc n SER 75 Cb 0.40 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2jtc n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jtc n ASN 76 N -1.21 1.74 -4.60 4.04 5.15 -1.26 -4.89 115.26 114.23 2jtc n ASN 76 Ca 0.07 -1.36 -0.43 0.00 -0.60 0.00 0.00 54.58 52.26 2jtc n ASN 76 Cb 0.08 0.55 -0.02 0.00 -0.53 0.00 0.00 39.78 39.86 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2jtc s ASN 77 N -2.59 6.06 -0.04 1.20 3.84 -0.51 -4.84 114.94 118.07 2jtc s ASN 77 Ca 0.17 1.19 0.09 0.00 0.21 0.00 0.00 52.86 54.51 2jtc s ASN 77 Cb 0.18 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.66 2jtc s ASN 77 CO 0.63 -1.59 1.17 -0.81 -2.79 0.00 0.00 177.10 173.71 2jtc n PRO 78 N 8.27 2.09 0.00 0.43 -0.04 -1.26 -3.87 135.00 140.61 2jtc n PRO 78 Ca 0.21 -1.23 0.07 0.00 -0.04 0.00 0.00 63.50 62.50 2jtc n PRO 78 Cb 0.47 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2jtc n PRO 78 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jtc n TYR 79 N 0.38 0.00 -4.08 0.54 4.01 -1.26 -3.10 117.16 113.65 2jtc n TYR 79 Ca 0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.76 2jtc n TYR 79 Cb 0.41 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.35 2jtc n TYR 79 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2jtc s PHE 80 N -1.69 0.65 0.00 -0.72 0.40 -1.25 0.27 117.98 115.64 2jtc s PHE 80 Ca 0.11 -1.06 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 2jtc s PHE 80 Cb 0.11 -0.34 0.00 0.00 0.51 0.00 0.00 43.02 43.30 2jtc s PHE 80 CO 0.35 -0.55 0.53 0.09 0.70 0.00 0.00 175.22 176.34 2jtc n ASN 81 N -0.09 0.00 0.00 1.36 5.03 -1.26 -4.90 115.26 115.40 2jtc n ASN 81 Ca -0.08 0.53 0.00 0.00 0.87 0.00 0.00 54.58 55.90 2jtc n ASN 81 Cb 0.63 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 2jtc n ASN 81 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2jtc n HIS 82 N -0.87 0.00 -0.99 3.10 8.25 -1.26 -4.96 115.22 118.49 2jtc n HIS 82 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2jtc n HIS 82 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2jtc n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jtc n PRO 83 N 0.00 2.56 -3.59 -0.41 -0.04 -1.26 -4.13 135.00 128.13 2jtc n PRO 83 Ca 0.00 -1.51 -0.40 0.00 -0.04 0.00 0.00 63.50 61.54 2jtc n PRO 83 Cb 0.00 -2.39 -0.10 0.00 -0.04 0.00 0.00 33.50 30.97 2jtc n PRO 83 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jtc s LYS 84 N 2.16 2.66 -0.12 0.54 2.47 -1.26 -4.96 119.74 121.23 2jtc s LYS 84 Ca 0.57 -1.39 -0.07 0.00 -1.56 0.00 0.00 55.97 53.52 2jtc s LYS 84 Cb 0.19 -3.78 -0.04 0.00 -1.46 0.00 0.00 37.83 32.74 2jtc s LYS 84 CO -0.03 -0.91 0.14 -0.80 0.16 0.00 0.00 175.35 173.90 2jtc s ASN 85 N 2.04 6.37 -0.08 1.43 -0.87 -1.26 0.68 114.94 123.25 2jtc s ASN 85 Ca 0.03 0.45 0.01 0.00 -1.57 0.00 0.00 52.86 51.78 2jtc s ASN 85 Cb -0.22 -2.07 -0.03 0.00 -0.02 0.00 0.00 41.25 38.91 2jtc s ASN 85 CO 0.03 0.39 -0.10 -0.76 -2.57 0.00 0.00 177.10 174.10 2jtc s LEU 86 N -0.94 2.97 -0.06 0.60 1.02 -0.16 -4.92 118.68 117.18 2jtc s LEU 86 Ca 0.15 -0.13 0.04 0.00 0.02 0.00 0.00 54.13 54.20 2jtc s LEU 86 Cb -0.12 -1.64 0.00 0.00 0.02 0.00 0.00 46.19 44.45 2jtc s LEU 86 CO 0.04 0.31 -0.18 0.12 0.02 0.00 0.00 176.35 176.66 2jtc s PHE 87 N -0.50 1.87 -0.27 0.29 5.36 -1.26 -1.82 117.98 121.65 2jtc s PHE 87 Ca 0.07 -0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 55.35 2jtc s PHE 87 Cb -0.12 -1.28 0.02 0.00 -0.34 0.00 0.00 43.02 41.30 2jtc s PHE 87 CO 0.02 -0.27 -0.00 0.00 -1.46 0.00 0.00 175.22 173.51 2jtc s ALA 88 N 0.31 2.84 -0.10 11.12 0.00 0.24 -4.96 121.76 131.21 2jtc s ALA 88 Ca -0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 51.96 50.29 2jtc s ALA 88 Cb -0.15 -1.89 -0.17 0.00 0.00 0.00 0.00 23.12 20.91 2jtc s ALA 88 CO 0.04 -0.93 2.61 0.00 0.00 0.00 0.00 175.76 177.48 2jtc n ALA 89 N 4.73 4.74 0.14 0.00 0.00 -1.26 -1.28 120.51 127.58 2jtc n ALA 89 Ca -0.15 -1.35 -0.15 0.00 0.00 0.00 0.00 53.44 51.79 2jtc n ALA 89 Cb 0.47 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.47 2jtc n ALA 89 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2jtc h ILE 90 N 2.41 0.18 -1.54 0.00 2.04 -1.88 0.61 117.51 119.34 2jtc h ILE 90 Ca 0.17 0.00 0.45 0.00 1.00 0.00 0.00 64.86 66.48 2jtc h ILE 90 Cb 0.96 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2jtc h ILE 90 CO 0.43 0.00 1.15 0.77 0.00 0.00 0.00 178.15 180.49 2jtc h SER 91 N -0.68 0.00 -0.53 1.72 4.64 -1.69 1.70 113.55 118.71 2jtc h SER 91 Ca 0.01 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.99 2jtc h SER 91 Cb 0.68 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.55 2jtc h SER 91 CO -0.20 0.00 -0.19 1.07 -0.87 0.00 0.00 176.83 176.64 2jtc n THR 92 N -3.97 2.68 -2.48 2.95 5.66 0.08 -3.86 114.28 115.33 2jtc n THR 92 Ca 0.34 -3.23 -0.30 0.00 -3.05 0.00 0.00 64.05 57.82 2jtc n THR 92 Cb 1.63 -0.66 -0.01 0.00 -1.55 0.00 0.00 70.33 69.74 2jtc n THR 92 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2jtc s ARG 93 N -3.43 3.67 -0.65 1.09 1.81 0.57 -4.82 118.95 117.19 2jtc s ARG 93 Ca 0.49 0.50 0.02 0.00 -1.72 0.00 0.00 55.73 55.02 2jtc s ARG 93 Cb 0.42 -2.28 0.16 0.00 -0.45 0.00 0.00 34.95 32.80 2jtc s ARG 93 CO 0.00 -0.26 0.44 -0.65 -0.68 0.00 0.00 175.30 174.16 2jtc s GLN 94 N -4.52 2.43 -0.90 3.54 -1.52 -1.26 -2.77 119.66 114.66 2jtc s GLN 94 Ca 0.52 -2.92 -0.24 0.00 -1.95 0.00 0.00 55.36 50.76 2jtc s GLN 94 Cb -0.10 -3.53 0.05 0.00 -0.22 0.00 0.00 33.01 29.21 2jtc s GLN 94 CO 0.42 -1.20 1.34 0.71 -0.25 0.00 0.00 175.29 176.31 2jtc s TYR 95 N -0.76 2.50 -0.90 0.91 2.02 0.37 -4.92 117.35 116.56 2jtc s TYR 95 Ca 0.21 -0.61 -0.24 0.00 -0.37 0.00 0.00 57.07 56.06 2jtc s TYR 95 Cb -0.16 -4.62 0.03 0.00 -0.40 0.00 0.00 41.96 36.81 2jtc s TYR 95 CO -0.07 -1.94 1.50 1.21 -1.57 0.00 0.00 175.55 174.68 2jtc s ASN 96 N 4.41 6.15 0.00 2.29 2.47 -1.26 -4.60 114.94 124.40 2jtc s ASN 96 Ca 0.40 -0.97 0.01 0.00 0.42 0.00 0.00 52.86 52.73 2jtc s ASN 96 Cb -0.04 -2.56 0.05 0.00 -1.45 0.00 0.00 41.25 37.25 2jtc s ASN 96 CO -0.01 -1.82 0.96 0.79 -3.72 0.00 0.00 177.10 173.30 2jtc n TRP 97 N 9.96 0.00 0.08 0.43 5.03 -1.26 -0.26 117.44 131.42 2jtc n TRP 97 Ca 0.25 0.00 0.09 0.00 3.03 0.00 0.00 57.50 60.87 2jtc n TRP 97 Cb 0.50 -0.42 -0.04 0.00 -1.03 0.00 0.00 31.31 30.33 2jtc n TRP 97 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2jtc n ASN 98 N -1.42 0.77 -0.06 -0.99 4.13 -1.26 -4.01 115.26 112.42 2jtc n ASN 98 Ca 0.00 0.31 -0.01 0.00 1.68 0.00 0.00 54.58 56.56 2jtc n ASN 98 Cb 0.01 0.52 -0.16 0.00 -1.54 0.00 0.00 39.78 38.61 2jtc n ASN 98 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jtc n ASN 99 N -2.69 0.02 -3.75 6.41 3.02 0.65 -4.60 115.26 114.32 2jtc n ASN 99 Ca -0.03 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 2jtc n ASN 99 Cb 0.63 1.40 -0.04 0.00 -0.61 0.00 0.00 39.78 41.16 2jtc n ASN 99 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2jtc n ILE 100 N -2.54 2.39 -1.53 2.41 5.41 0.29 -4.50 119.36 121.30 2jtc n ILE 100 Ca -0.20 -2.13 -0.38 0.00 1.00 0.00 0.00 62.75 61.04 2jtc n ILE 100 Cb 0.90 -2.40 0.05 0.00 -0.71 0.00 0.00 39.64 37.48 2jtc n ILE 100 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jtc n LEU 101 N 7.51 2.50 0.18 1.39 4.77 -1.26 -4.88 117.00 127.19 2jtc n LEU 101 Ca 0.50 0.75 0.07 0.00 -0.03 0.00 0.00 56.01 57.30 2jtc n LEU 101 Cb 0.41 -1.30 0.12 0.00 -2.33 0.00 0.00 43.42 40.31 2jtc n LEU 101 CO 0.97 -2.39 0.62 1.55 -1.33 0.00 0.00 177.39 176.81 2jtc h PRO 102 N 0.26 0.00 -3.10 3.23 0.13 -1.81 -3.44 132.00 127.27 2jtc h PRO 102 Ca -0.47 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 2jtc h PRO 102 Cb 1.38 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.17 2jtc h PRO 102 CO 0.48 0.30 -0.59 -0.08 -0.23 0.00 0.00 178.00 177.88 2jtc s THR 103 N -3.11 -0.20 -0.08 1.56 -1.32 -1.05 0.26 115.64 111.70 2jtc s THR 103 Ca 0.05 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2jtc s THR 103 Cb 0.07 -0.31 -0.03 0.00 -1.51 0.00 0.00 72.50 70.72 2jtc s THR 103 CO 0.71 0.11 -0.07 -0.31 -2.21 0.00 0.00 174.62 172.85 2jtc s TYR 104 N 1.88 2.93 -2.08 9.09 1.51 -1.25 -4.92 117.35 124.51 2jtc s TYR 104 Ca -0.02 -0.05 0.23 0.00 -1.01 0.00 0.00 57.07 56.22 2jtc s TYR 104 Cb -0.12 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 2jtc s TYR 104 CO -0.06 0.26 1.11 -1.13 -1.11 0.00 0.00 175.55 174.62 2jtc n SER 105 N 2.42 2.06 0.00 2.29 3.41 -1.26 -4.92 113.62 117.62 2jtc n SER 105 Ca -0.18 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 2jtc n SER 105 Cb 0.53 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 2jtc n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jtc n GLY 106 N 1.42 0.80 0.00 5.00 0.00 -1.26 -4.90 105.19 106.25 2jtc n GLY 106 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jtc n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 107 N -2.21 0.05 -0.81 1.61 1.74 -1.26 -4.95 116.66 110.83 2jtc n ARG 107 Ca 0.00 -0.43 -0.29 0.00 -0.77 0.00 0.00 57.85 56.36 2jtc n ARG 107 Cb 0.00 -0.93 0.20 0.00 -1.02 0.00 0.00 32.46 30.72 2jtc n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jtc s GLU 108 N -0.13 0.03 1.03 5.56 8.01 -1.26 -4.99 118.70 126.95 2jtc s GLU 108 Ca 0.00 0.88 -0.13 0.00 0.01 0.00 0.00 54.97 55.73 2jtc s GLU 108 Cb 0.00 -1.66 0.21 0.00 -4.31 0.00 0.00 34.13 28.37 2jtc s GLU 108 CO 0.00 -3.10 1.09 0.45 0.01 0.00 0.00 175.26 173.71 2jtc s SER 109 N -2.89 2.31 0.20 -0.19 0.15 -1.26 -4.86 113.70 107.17 2jtc s SER 109 Ca 0.67 1.12 -0.01 0.00 0.70 0.00 0.00 55.95 58.43 2jtc s SER 109 Cb -0.22 -1.75 0.15 0.00 -1.71 0.00 0.00 66.02 62.48 2jtc s SER 109 CO 0.61 -3.32 1.51 0.78 1.20 0.00 0.00 173.24 174.03 2jtc h ASN 110 N -2.02 0.51 0.27 5.45 4.21 -1.98 -2.47 115.58 119.55 2jtc h ASN 110 Ca -0.55 -0.28 -0.00 0.00 1.21 0.00 0.00 56.30 56.68 2jtc h ASN 110 Cb 1.33 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 38.35 2jtc h ASN 110 CO 0.56 0.98 -0.45 0.58 -1.29 0.00 0.00 177.43 177.81 2jtc h VAL 111 N 0.34 0.00 -0.18 2.81 2.07 -1.99 1.08 116.25 120.38 2jtc h VAL 111 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2jtc h VAL 111 Cb 1.11 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2jtc h VAL 111 CO 0.10 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.25 2jtc h GLN 112 N -0.76 0.27 -0.36 1.57 7.50 -1.79 -1.81 115.11 119.73 2jtc h GLN 112 Ca -0.03 -0.04 -0.06 0.00 0.50 0.00 0.00 58.65 59.02 2jtc h GLN 112 Cb 0.71 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 2jtc h GLN 112 CO -0.15 0.30 -0.02 0.87 -1.50 0.00 0.00 178.83 178.33 2jtc h LYS 113 N 0.26 0.64 -0.50 1.46 1.57 -0.77 -2.03 116.57 117.21 2jtc h LYS 113 Ca 0.06 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2jtc h LYS 113 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2jtc h LYS 113 CO 0.00 0.77 0.33 1.98 -0.57 0.00 0.00 179.45 181.96 2jtc h MET 114 N 0.45 0.57 0.14 3.15 4.05 0.19 0.51 114.93 124.00 2jtc h MET 114 Ca 0.10 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2jtc h MET 114 Cb 0.49 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 2jtc h MET 114 CO 0.02 0.38 -0.10 0.00 0.23 0.00 0.00 176.91 177.44 2jtc h ALA 115 N 1.71 -0.92 0.18 0.39 0.00 -0.63 0.60 119.26 120.59 2jtc h ALA 115 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jtc h ALA 115 Cb 0.07 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jtc h ALA 115 CO -0.05 -0.92 -0.09 0.97 0.00 0.00 0.00 179.25 179.16 2jtc h ILE 116 N -0.23 0.89 -0.97 0.00 6.09 -1.30 0.38 117.51 122.37 2jtc h ILE 116 Ca -0.02 -0.34 0.29 0.00 -1.37 0.00 0.00 64.86 63.42 2jtc h ILE 116 Cb 0.19 1.10 -0.14 0.00 0.47 0.00 0.00 36.82 38.43 2jtc h ILE 116 CO 0.01 0.08 0.50 0.77 -3.07 0.00 0.00 178.15 176.44 2jtc h SER 117 N -0.41 0.43 0.21 2.19 4.64 0.15 1.53 113.55 122.30 2jtc h SER 117 Ca -0.02 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2jtc h SER 117 Cb 0.32 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2jtc h SER 117 CO 0.04 -0.10 -0.10 -0.08 -0.87 0.00 0.00 176.83 175.72 2jtc h GLU 118 N 0.35 -0.27 -0.72 4.77 4.81 0.86 -0.09 114.58 124.28 2jtc h GLU 118 Ca 0.68 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 60.09 2jtc h GLU 118 Cb 1.47 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.79 2jtc h GLU 118 CO -0.59 0.12 -0.02 1.25 -0.73 0.00 0.00 179.01 179.03 2jtc h LEU 119 N -0.81 -0.38 0.37 1.64 5.85 0.35 0.95 115.31 123.27 2jtc h LEU 119 Ca -0.03 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2jtc h LEU 119 Cb 0.51 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2jtc h LEU 119 CO 0.05 -0.18 -0.20 0.24 -0.34 0.00 0.00 178.44 178.01 2jtc h MET 120 N 0.09 -0.51 -0.24 1.25 2.86 0.21 0.33 114.93 118.91 2jtc h MET 120 Ca 0.38 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 58.01 2jtc h MET 120 Cb 0.65 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 2jtc h MET 120 CO -0.65 -0.34 -0.07 0.00 1.06 0.00 0.00 176.91 176.91 2jtc h ALA 121 N 0.09 1.44 -0.20 6.32 0.00 0.59 2.00 119.26 129.50 2jtc h ALA 121 Ca -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2jtc h ALA 121 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jtc h ALA 121 CO 0.06 0.39 0.06 -0.44 0.00 0.00 0.00 179.25 179.32 2jtc h ASP 122 N 0.36 0.30 0.07 0.00 3.32 0.13 0.89 116.42 121.49 2jtc h ASP 122 Ca 0.08 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2jtc h ASP 122 Cb 0.35 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2jtc h ASP 122 CO 0.02 0.43 -0.03 0.58 -1.72 0.00 0.00 179.24 178.51 2jtc h VAL 123 N 0.15 1.22 -0.60 -1.35 2.07 0.49 0.09 116.25 118.32 2jtc h VAL 123 Ca 0.06 -1.23 0.12 0.00 0.82 0.00 0.00 66.70 66.47 2jtc h VAL 123 Cb 0.24 1.99 -0.12 0.00 -1.52 0.00 0.00 31.29 31.89 2jtc h VAL 123 CO -0.00 0.29 -0.23 1.23 0.02 0.00 0.00 177.57 178.88 2jtc h GLY 124 N -0.67 0.22 0.89 2.17 0.00 0.32 0.52 103.07 106.51 2jtc h GLY 124 Ca -0.01 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 2jtc h GLY 124 CO 0.02 -0.23 -0.33 -2.22 0.00 0.00 0.00 176.54 173.77 2jtc h ILE 125 N -0.08 0.25 -1.21 2.60 2.04 -0.84 0.52 117.51 120.79 2jtc h ILE 125 Ca 0.27 -0.17 0.35 0.00 1.00 0.00 0.00 64.86 66.32 2jtc h ILE 125 Cb 0.51 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2jtc h ILE 125 CO -0.65 0.02 0.93 0.77 0.00 0.00 0.00 178.15 179.22 2jtc h SER 126 N -1.05 0.00 -0.96 1.72 4.64 0.48 1.39 113.55 119.76 2jtc h SER 126 Ca -0.09 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.65 2jtc h SER 126 Cb 0.74 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.53 2jtc h SER 126 CO 0.15 0.00 0.68 1.33 -0.87 0.00 0.00 176.83 178.13 2jtc n VAL 127 N -4.00 3.34 -4.26 0.95 0.24 0.17 -4.73 118.33 110.05 2jtc n VAL 127 Ca 0.26 -2.44 -0.32 0.00 -2.04 0.00 0.00 64.34 59.80 2jtc n VAL 127 Cb 1.33 -0.77 -0.08 0.00 -1.47 0.00 0.00 33.84 32.85 2jtc n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jtc n ASP 128 N -1.04 0.24 -4.70 -1.34 8.00 0.48 -3.79 116.55 114.40 2jtc n ASP 128 Ca 0.60 -1.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.42 2jtc n ASP 128 Cb 1.21 -1.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 2jtc n ASP 128 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2jtc s MET 129 N -7.32 4.22 -0.13 -1.24 1.75 0.17 -4.46 119.30 112.31 2jtc s MET 129 Ca 0.06 2.25 -0.29 0.00 -1.25 0.00 0.00 55.69 56.46 2jtc s MET 129 Cb -0.03 -3.50 -0.02 0.00 2.84 0.00 0.00 34.83 34.12 2jtc s MET 129 CO 0.99 -0.67 1.18 0.34 -0.65 0.00 0.00 175.02 176.21 2jtc s ASP 130 N 2.04 7.04 -0.30 1.11 2.15 0.43 -4.85 116.67 124.28 2jtc s ASP 130 Ca 0.71 1.68 -0.10 0.00 0.43 0.00 0.00 52.55 55.27 2jtc s ASP 130 Cb -0.39 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.67 2jtc s ASP 130 CO 0.31 -0.65 0.16 -0.31 -0.17 0.00 0.00 175.17 174.51 2jtc s TYR 131 N 2.81 3.18 0.00 -5.34 2.02 -1.26 -2.19 117.35 116.56 2jtc s TYR 131 Ca 0.53 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 2jtc s TYR 131 Cb -0.21 -2.36 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 2jtc s TYR 131 CO 0.16 -0.39 0.00 0.41 -1.57 0.00 0.00 175.55 174.17 2jtc n GLY 132 N 5.00 3.69 0.24 0.71 0.00 -1.26 -4.85 105.19 108.72 2jtc n GLY 132 Ca -0.14 -1.11 0.07 0.00 0.00 0.00 0.00 46.02 44.84 2jtc n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jtc h PRO 133 N 0.00 0.00 -6.10 1.61 0.13 -1.90 -2.75 132.00 122.99 2jtc h PRO 133 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 2jtc h PRO 133 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 2jtc h PRO 133 CO 0.00 0.12 -0.69 -1.12 -0.23 0.00 0.00 178.00 176.09 2jtc s SER 134 N -6.93 4.68 -0.27 1.44 0.01 -1.26 -4.22 113.70 107.15 2jtc s SER 134 Ca -0.04 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.23 2jtc s SER 134 Cb 0.16 -1.21 0.07 0.00 0.21 0.00 0.00 66.02 65.24 2jtc s SER 134 CO 0.68 0.36 -0.07 -0.44 0.41 0.00 0.00 173.24 174.18 2jtc s SER 135 N -0.76 4.41 -0.01 2.44 0.01 -1.26 -4.64 113.70 113.88 2jtc s SER 135 Ca 0.12 -1.52 0.02 0.00 1.31 0.00 0.00 55.95 55.87 2jtc s SER 135 Cb -0.11 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 2jtc s SER 135 CO 0.02 -0.24 -0.02 -0.83 0.41 0.00 0.00 173.24 172.58 2jtc s GLY 136 N 1.12 1.83 0.00 3.44 0.00 -0.93 -3.65 107.32 109.13 2jtc s GLY 136 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2jtc s GLY 136 CO -0.06 -0.80 0.00 -1.26 0.00 0.00 0.00 173.10 170.98 2jtc n SER 137 N 1.58 1.75 -0.07 1.64 2.88 -1.26 0.16 113.62 120.30 2jtc n SER 137 Ca -0.15 -0.35 -0.05 0.00 -1.33 0.00 0.00 58.87 56.99 2jtc n SER 137 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 2jtc n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtc n ALA 138 N -3.00 0.46 0.00 -1.46 0.00 -1.25 -3.13 120.51 112.13 2jtc n ALA 138 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2jtc n ALA 138 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2jtc n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtc n GLY 139 N 1.61 0.53 0.19 0.00 0.00 -1.26 -2.49 105.19 103.76 2jtc n GLY 139 Ca -0.07 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 2jtc n GLY 139 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jtc h SER 140 N 0.00 -0.33 -0.78 1.61 0.02 -1.92 0.79 113.55 112.94 2jtc h SER 140 Ca 0.00 0.13 0.18 0.00 -0.84 0.00 0.00 61.79 61.26 2jtc h SER 140 Cb 0.00 0.25 -0.14 0.00 0.14 0.00 0.00 62.40 62.65 2jtc h SER 140 CO 0.00 -0.12 0.01 0.77 -1.14 0.00 0.00 176.83 176.36 2jtc h SER 141 N 0.05 -0.35 0.45 3.07 4.64 -1.95 0.40 113.55 119.85 2jtc h SER 141 Ca 0.23 0.20 -0.31 0.00 -0.47 0.00 0.00 61.79 61.44 2jtc h SER 141 Cb 0.35 0.35 0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2jtc h SER 141 CO -0.44 -0.19 -1.41 0.03 -0.87 0.00 0.00 176.83 173.95 2jtc h ARG 142 N 0.10 0.36 0.61 4.77 2.47 -1.76 -2.92 114.38 118.01 2jtc h ARG 142 Ca 0.43 -0.62 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 2jtc h ARG 142 Cb 0.78 0.23 0.01 0.00 -1.65 0.00 0.00 29.97 29.33 2jtc h ARG 142 CO -0.69 1.28 -0.29 0.28 0.56 0.00 0.00 179.97 181.10 2jtc h VAL 143 N 0.10 0.00 -0.46 2.04 2.07 0.85 2.11 116.25 122.95 2jtc h VAL 143 Ca -0.21 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.14 2jtc h VAL 143 Cb 2.05 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2jtc h VAL 143 CO 0.22 0.00 0.32 0.06 0.02 0.00 0.00 177.57 178.19 2jtc h GLN 144 N -1.10 0.17 0.00 1.57 -0.00 -0.47 1.12 115.11 116.40 2jtc h GLN 144 Ca -0.08 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.53 2jtc h GLN 144 Cb 0.63 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.08 2jtc h GLN 144 CO 0.14 0.11 -0.11 -0.09 -0.00 0.00 0.00 178.83 178.88 2jtc h ARG 145 N 0.17 0.07 -0.37 0.06 2.43 -1.30 -3.16 114.38 112.29 2jtc h ARG 145 Ca 0.22 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 2jtc h ARG 145 Cb 0.63 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2jtc h ARG 145 CO -0.03 0.86 -0.15 0.00 -1.51 0.00 0.00 179.97 179.14 2jtc h ALA 146 N 0.21 1.06 -0.48 2.80 0.00 0.45 0.44 119.26 123.74 2jtc h ALA 146 Ca -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.63 2jtc h ALA 146 Cb 0.90 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2jtc h ALA 146 CO 0.02 0.57 0.20 -0.07 0.00 0.00 0.00 179.25 179.98 2jtc h LEU 147 N 0.60 0.26 0.15 0.00 3.38 0.12 0.24 115.31 120.06 2jtc h LEU 147 Ca 0.10 0.04 -0.35 0.00 0.09 0.00 0.00 57.88 57.77 2jtc h LEU 147 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2jtc h LEU 147 CO 0.04 0.18 -1.79 0.11 0.09 0.00 0.00 178.44 177.07 2jtc h LYS 148 N 0.41 0.32 0.50 1.13 1.57 -1.49 0.70 116.57 119.70 2jtc h LYS 148 Ca 0.22 -0.54 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2jtc h LYS 148 Cb 0.18 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jtc h LYS 148 CO -0.19 1.26 -0.24 0.93 -0.57 0.00 0.00 179.45 180.64 2jtc h GLU 149 N 0.01 -0.64 0.07 3.15 5.08 -0.06 -2.02 114.58 120.17 2jtc h GLU 149 Ca -0.37 0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 57.83 2jtc h GLU 149 Cb 2.01 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 2jtc h GLU 149 CO 0.12 -0.36 -1.02 -0.91 -1.00 0.00 0.00 179.01 175.83 2jtc h ASN 150 N -1.10 0.22 0.63 1.42 -0.26 -1.16 -3.34 115.58 112.00 2jtc h ASN 150 Ca -0.07 -0.81 0.00 0.00 -0.56 0.00 0.00 56.30 54.86 2jtc h ASN 150 Cb 0.57 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 2jtc h ASN 150 CO 0.11 1.44 -0.62 0.49 -1.06 0.00 0.00 177.43 177.79 2jtc n PHE 151 N -4.21 0.25 -2.49 1.19 3.72 -0.55 0.04 117.46 115.41 2jtc n PHE 151 Ca -0.22 0.07 -0.15 0.00 -0.05 0.00 0.00 57.45 57.10 2jtc n PHE 151 Cb 0.75 -0.43 0.01 0.00 -0.94 0.00 0.00 39.48 38.87 2jtc n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jtc n GLY 152 N 1.42 -0.20 3.73 1.37 0.00 0.09 -4.44 105.19 107.17 2jtc n GLY 152 Ca 0.04 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2jtc n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtc s TYR 153 N -2.83 2.14 0.79 1.61 1.51 0.22 -4.85 117.35 115.94 2jtc s TYR 153 Ca 0.09 1.58 -0.16 0.00 -1.01 0.00 0.00 57.07 57.57 2jtc s TYR 153 Cb -0.04 -3.45 -0.07 0.00 -0.11 0.00 0.00 41.96 38.29 2jtc s TYR 153 CO 0.11 -2.49 0.07 -1.71 -1.11 0.00 0.00 175.55 170.41 2jtc n ASN 154 N -2.56 -2.97 0.20 2.29 2.85 0.48 -4.48 115.26 111.07 2jtc n ASN 154 Ca 0.13 0.46 0.11 0.00 -0.11 0.00 0.00 54.58 55.17 2jtc n ASN 154 Cb 0.50 -1.04 0.59 0.00 1.24 0.00 0.00 39.78 41.07 2jtc n ASN 154 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2jtc h GLN 155 N -0.67 0.00 0.00 1.20 1.08 -1.90 -1.31 115.11 113.52 2jtc h GLN 155 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2jtc h GLN 155 Cb 1.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 2jtc h GLN 155 CO 0.36 0.00 0.30 0.66 -0.95 0.00 0.00 178.83 179.21 2jtc h SER 156 N 0.00 0.00 -2.84 1.46 4.64 -1.84 -3.39 113.55 111.57 2jtc h SER 156 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2jtc h SER 156 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2jtc h SER 156 CO 0.00 0.00 0.91 -0.69 -0.87 0.00 0.00 176.83 176.18 2jtc s VAL 157 N -3.75 3.89 0.30 0.95 1.01 0.14 -3.90 120.40 119.04 2jtc s VAL 157 Ca -0.02 1.17 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 2jtc s VAL 157 Cb 0.06 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2jtc s VAL 157 CO 0.20 -0.06 0.39 0.00 0.00 0.00 0.00 175.10 175.63 2jtc n HIS 158 N 6.21 -1.19 -4.31 5.22 1.44 -0.44 -4.95 115.22 117.20 2jtc n HIS 158 Ca 0.14 -2.09 -0.23 0.00 -2.01 0.00 0.00 57.72 53.53 2jtc n HIS 158 Cb 0.44 0.43 -0.12 0.00 0.12 0.00 0.00 29.99 30.86 2jtc n HIS 158 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2jtc s GLN 159 N -2.77 1.20 0.03 -1.40 0.74 -1.26 -1.56 119.66 114.64 2jtc s GLN 159 Ca 0.27 -1.29 0.03 0.00 0.05 0.00 0.00 55.36 54.42 2jtc s GLN 159 Cb -0.00 -1.38 -0.02 0.00 1.10 0.00 0.00 33.01 32.71 2jtc s GLN 159 CO 0.19 0.30 -0.10 0.96 -0.55 0.00 0.00 175.29 176.09 2jtc s ILE 160 N -1.58 0.79 -0.40 -2.34 -4.36 0.59 -4.91 121.20 108.98 2jtc s ILE 160 Ca 0.11 -0.83 -0.05 0.00 -0.26 0.00 0.00 60.65 59.62 2jtc s ILE 160 Cb -0.08 -0.74 0.09 0.00 1.25 0.00 0.00 42.46 42.98 2jtc s ILE 160 CO 0.05 -0.07 0.20 0.20 0.24 0.00 0.00 174.94 175.56 2jtc s ASN 161 N -1.00 5.36 0.32 4.36 0.01 -1.26 0.24 114.94 122.98 2jtc s ASN 161 Ca -0.01 -1.68 0.10 0.00 -0.71 0.00 0.00 52.86 50.56 2jtc s ASN 161 Cb -0.07 -1.88 0.92 0.00 0.41 0.00 0.00 41.25 40.63 2jtc s ASN 161 CO 0.01 -0.50 1.71 -0.09 -1.51 0.00 0.00 177.10 176.72 2jtc h ARG 162 N 8.20 0.49 0.00 -0.60 9.65 -0.02 1.13 114.38 133.23 2jtc h ARG 162 Ca -0.19 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2jtc h ARG 162 Cb 1.07 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.53 2jtc h ARG 162 CO 0.70 0.32 -0.00 0.78 2.80 0.00 0.00 179.97 184.57 2jtc h GLY 163 N 0.51 0.00 -1.40 2.80 0.00 -1.89 -1.71 103.07 101.38 2jtc h GLY 163 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2jtc h GLY 163 CO -0.51 0.00 -0.07 1.22 0.00 0.00 0.00 176.54 177.18 2jtc n ASP 164 N -3.60 2.43 -4.66 0.19 9.92 0.38 -4.99 116.55 116.23 2jtc n ASP 164 Ca -0.03 -1.71 -0.26 0.00 -0.53 0.00 0.00 54.79 52.25 2jtc n ASP 164 Cb 0.08 0.08 -0.09 0.00 -0.64 0.00 0.00 41.12 40.55 2jtc n ASP 164 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2jtc s PHE 165 N -1.66 2.54 -0.12 1.24 0.40 -0.64 -5.00 117.98 114.74 2jtc s PHE 165 Ca 0.21 -0.60 -0.15 0.00 -0.60 0.00 0.00 56.93 55.79 2jtc s PHE 165 Cb 0.16 -1.78 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 2jtc s PHE 165 CO 0.27 0.37 0.35 -1.54 0.70 0.00 0.00 175.22 175.38 2jtc s SER 166 N -3.77 6.57 0.21 1.36 1.04 -1.26 -4.84 113.70 113.01 2jtc s SER 166 Ca 0.37 0.67 0.06 0.00 0.48 0.00 0.00 55.95 57.53 2jtc s SER 166 Cb 0.06 -2.22 0.63 0.00 0.10 0.00 0.00 66.02 64.60 2jtc s SER 166 CO 0.20 0.13 1.00 1.17 0.98 0.00 0.00 173.24 176.72 2jtc n LYS 167 N 3.18 -0.05 0.19 4.02 4.81 -1.26 0.17 118.16 129.23 2jtc n LYS 167 Ca -0.11 0.92 -0.08 0.00 -0.87 0.00 0.00 58.31 58.17 2jtc n LYS 167 Cb 0.52 -1.54 -0.04 0.00 0.02 0.00 0.00 35.03 33.99 2jtc n LYS 167 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2jtc h GLN 168 N 0.00 -0.48 0.00 1.64 7.50 -2.00 -1.51 115.11 120.26 2jtc h GLN 168 Ca 0.45 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.63 2jtc h GLN 168 Cb 1.04 0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.68 2jtc h GLN 168 CO -0.56 -0.32 0.00 -0.25 -1.50 0.00 0.00 178.83 176.20 2jtc n ASP 169 N -3.62 0.53 0.02 1.46 9.92 0.77 -1.77 116.55 123.86 2jtc n ASP 169 Ca -0.06 0.72 -0.12 0.00 -0.53 0.00 0.00 54.79 54.80 2jtc n ASP 169 Cb 0.20 -0.80 -0.09 0.00 -0.64 0.00 0.00 41.12 39.79 2jtc n ASP 169 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 2jtc h TRP 170 N 0.00 -0.11 0.00 1.24 2.91 0.22 -2.96 115.95 117.24 2jtc h TRP 170 Ca 0.00 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 2jtc h TRP 170 Cb 0.08 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.77 2jtc h TRP 170 CO 0.00 0.41 -0.08 0.93 -1.03 0.00 0.00 178.44 178.67 2jtc h GLU 171 N -0.76 0.00 -0.56 2.65 5.08 -0.71 -2.34 114.58 117.94 2jtc h GLU 171 Ca -0.01 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2jtc h GLU 171 Cb 0.57 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 2jtc h GLU 171 CO 0.02 0.08 0.28 0.00 -1.00 0.00 0.00 179.01 178.39 2jtc h ALA 172 N 1.92 0.73 -0.56 3.43 0.00 -1.19 1.40 119.26 125.00 2jtc h ALA 172 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jtc h ALA 172 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jtc h ALA 172 CO 0.01 -0.07 0.31 1.96 0.00 0.00 0.00 179.25 181.45 2jtc h GLN 173 N 0.53 0.76 0.23 0.00 1.08 -1.31 -0.35 115.11 116.05 2jtc h GLN 173 Ca 0.26 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2jtc h GLN 173 Cb 0.19 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2jtc h GLN 173 CO -0.19 0.56 -0.11 0.82 -0.95 0.00 0.00 178.83 178.96 2jtc h ILE 174 N 0.77 0.00 -0.43 2.54 2.04 -0.60 -2.81 117.51 119.02 2jtc h ILE 174 Ca 0.20 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.55 2jtc h ILE 174 Cb 0.02 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.01 2jtc h ILE 174 CO -0.03 0.00 -0.19 -0.78 0.00 0.00 0.00 178.15 177.14 2jtc h ASP 175 N -0.90 -0.66 -0.77 1.72 1.82 0.18 0.65 116.42 118.45 2jtc h ASP 175 Ca -0.03 0.16 0.15 0.00 -0.39 0.00 0.00 57.03 56.92 2jtc h ASP 175 Cb 0.23 0.37 -0.10 0.00 0.68 0.00 0.00 39.33 40.51 2jtc h ASP 175 CO 0.05 -0.22 0.31 0.50 -1.61 0.00 0.00 179.24 178.27 2jtc h LYS 176 N -0.11 0.43 -0.31 0.28 3.64 -1.19 2.22 116.57 121.54 2jtc h LYS 176 Ca 0.21 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2jtc h LYS 176 Cb 0.43 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2jtc h LYS 176 CO -0.50 0.29 0.18 0.93 -2.27 0.00 0.00 179.45 178.08 2jtc h GLU 177 N 0.45 0.42 0.00 1.90 4.39 -0.06 -1.78 114.58 119.90 2jtc h GLU 177 Ca 0.43 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 60.02 2jtc h GLU 177 Cb 0.67 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2jtc h GLU 177 CO -0.41 0.34 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.38 2jtc h LEU 178 N 0.39 0.00 -0.99 1.33 3.38 0.44 0.29 115.31 120.16 2jtc h LEU 178 Ca 0.11 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.24 2jtc h LEU 178 Cb 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 2jtc h LEU 178 CO -0.02 0.32 0.60 0.77 0.09 0.00 0.00 178.44 180.20 2jtc h SER 179 N 0.00 0.81 -0.98 -0.43 4.64 0.43 0.66 113.55 118.69 2jtc h SER 179 Ca -0.00 0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.83 2jtc h SER 179 Cb 0.64 -0.07 -0.30 0.00 -0.31 0.00 0.00 62.40 62.36 2jtc h SER 179 CO 0.04 0.34 0.72 0.00 -0.87 0.00 0.00 176.83 177.07 2jtc n GLN 180 N -4.73 2.38 -4.08 4.77 6.02 -1.04 -4.88 117.38 115.82 2jtc n GLN 180 Ca 0.21 -3.04 -0.33 0.00 -0.01 0.00 0.00 57.00 53.83 2jtc n GLN 180 Cb 0.48 -2.19 -0.03 0.00 1.02 0.00 0.00 30.24 29.52 2jtc n GLN 180 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jtc n ASN 181 N -1.03 -1.32 -3.97 1.08 3.02 0.23 -4.91 115.26 108.36 2jtc n ASN 181 Ca 0.60 -1.17 -0.31 0.00 -0.03 0.00 0.00 54.58 53.67 2jtc n ASN 181 Cb 1.29 -2.25 -0.16 0.00 -0.61 0.00 0.00 39.78 38.06 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jtc s GLN 182 N -6.99 1.80 0.99 3.52 -0.21 0.10 -4.96 119.66 113.92 2jtc s GLN 182 Ca 0.17 -1.04 -0.12 0.00 0.02 0.00 0.00 55.36 54.40 2jtc s GLN 182 Cb -0.08 -2.62 0.19 0.00 1.00 0.00 0.00 33.01 31.49 2jtc s GLN 182 CO 0.94 -0.57 1.08 -1.25 -2.12 0.00 0.00 175.29 173.38 2jtc s PRO 183 N 1.34 0.45 -0.07 2.91 0.04 -1.26 -2.76 135.00 135.64 2jtc s PRO 183 Ca -0.06 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.01 2jtc s PRO 183 Cb -0.19 -1.70 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 2jtc s PRO 183 CO -0.06 -2.84 -0.23 0.08 0.04 0.00 0.00 177.00 173.98 2jtc s VAL 184 N -2.72 1.95 -0.32 -0.36 1.01 -0.20 -4.52 120.40 115.25 2jtc s VAL 184 Ca 0.66 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 2jtc s VAL 184 Cb -0.21 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2jtc s VAL 184 CO 0.60 0.54 0.91 -0.47 0.00 0.00 0.00 175.10 176.67 2jtc s TYR 185 N 0.09 3.17 0.22 5.22 6.14 0.79 -1.15 117.35 131.83 2jtc s TYR 185 Ca -0.10 0.95 0.10 0.00 0.64 0.00 0.00 57.07 58.66 2jtc s TYR 185 Cb -0.15 -3.43 -0.05 0.00 0.42 0.00 0.00 41.96 38.75 2jtc s TYR 185 CO 0.06 -0.67 -0.20 -0.47 0.64 0.00 0.00 175.55 174.91 2jtc s TYR 186 N 3.26 2.10 -0.28 4.97 6.14 0.97 0.20 117.35 134.71 2jtc s TYR 186 Ca 0.38 -0.40 -0.18 0.00 0.64 0.00 0.00 57.07 57.51 2jtc s TYR 186 Cb -0.13 -0.98 0.10 0.00 0.42 0.00 0.00 41.96 41.36 2jtc s TYR 186 CO 0.14 0.52 0.78 1.14 0.64 0.00 0.00 175.55 178.77 2jtc s GLN 187 N -3.15 0.64 -0.08 4.97 -2.07 -1.04 0.11 119.66 119.04 2jtc s GLN 187 Ca 0.23 1.04 -0.18 0.00 -1.82 0.00 0.00 55.36 54.63 2jtc s GLN 187 Cb -0.05 0.16 -0.05 0.00 -1.09 0.00 0.00 33.01 31.98 2jtc s GLN 187 CO 0.11 -0.12 0.47 0.20 -1.32 0.00 0.00 175.29 174.63 2jtc s GLY 188 N 1.34 2.44 0.67 2.60 0.00 0.24 -3.10 107.32 111.52 2jtc s GLY 188 Ca -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.44 2jtc s GLY 188 CO -0.16 0.63 0.95 0.14 0.00 0.00 0.00 173.10 174.66 2jtc s VAL 189 N 0.15 2.36 0.00 1.40 1.01 -0.59 0.77 120.40 125.50 2jtc s VAL 189 Ca 0.26 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2jtc s VAL 189 Cb -0.16 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2jtc s VAL 189 CO 0.12 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2jtc n GLY 190 N -2.76 1.41 0.08 4.51 0.00 -0.95 -4.16 105.19 103.32 2jtc n GLY 190 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 2jtc n GLY 190 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jtc h LYS 191 N 0.00 0.00 0.00 1.61 3.64 -1.82 -3.34 116.57 116.66 2jtc h LYS 191 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jtc h LYS 191 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2jtc h LYS 191 CO 0.00 0.62 -0.27 -0.39 -2.27 0.00 0.00 179.45 177.13 2jtc h VAL 192 N 0.00 0.00 0.00 2.00 -1.51 -1.78 -3.50 116.25 111.46 2jtc h VAL 192 Ca -0.22 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2jtc h VAL 192 Cb 1.96 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 2jtc h VAL 192 CO 0.09 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.04 2jtc n GLY 193 N 1.27 0.91 3.52 5.19 0.00 -1.26 -4.75 105.19 110.08 2jtc n GLY 193 Ca 0.04 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2jtc n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 194 N 0.00 1.84 0.17 -0.02 0.00 -1.04 -2.23 107.32 106.04 2jtc s GLY 194 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 2jtc s GLY 194 CO 0.00 1.22 1.23 -1.58 0.00 0.00 0.00 173.10 173.98 2jtc s HIS 195 N 2.30 3.38 0.31 1.90 2.46 0.23 -4.45 115.29 121.42 2jtc s HIS 195 Ca 0.16 1.34 0.10 0.00 0.47 0.00 0.00 55.06 57.12 2jtc s HIS 195 Cb -0.16 -3.48 -0.06 0.00 -0.13 0.00 0.00 32.58 28.75 2jtc s HIS 195 CO 0.14 -1.44 -0.14 0.00 -2.47 0.00 0.00 174.74 170.83 2jtc s ALA 196 N 0.17 2.83 0.19 1.58 0.00 -1.26 0.81 121.76 126.09 2jtc s ALA 196 Ca 0.55 -1.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.28 2jtc s ALA 196 Cb -0.33 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 22.72 2jtc s ALA 196 CO 0.36 0.15 0.77 -0.59 0.00 0.00 0.00 175.76 176.45 2jtc s PHE 197 N -2.59 -0.27 -0.07 0.00 -0.12 0.31 -3.72 117.98 111.51 2jtc s PHE 197 Ca 0.31 -0.06 0.03 0.00 -0.05 0.00 0.00 56.93 57.16 2jtc s PHE 197 Cb -0.00 0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 2jtc s PHE 197 CO 0.16 -0.97 -0.14 0.08 -0.05 0.00 0.00 175.22 174.29 2jtc s VAL 198 N -3.64 3.04 -0.17 -2.49 1.01 -1.15 -0.02 120.40 116.98 2jtc s VAL 198 Ca 0.08 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 2jtc s VAL 198 Cb -0.03 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2jtc s VAL 198 CO -0.00 0.57 0.21 -0.63 0.00 0.00 0.00 175.10 175.25 2jtc s ILE 199 N -0.41 5.36 -0.00 2.22 1.01 -0.30 0.85 121.20 129.92 2jtc s ILE 199 Ca 0.05 0.37 0.22 0.00 0.00 0.00 0.00 60.65 61.28 2jtc s ILE 199 Cb -0.12 -3.54 0.36 0.00 0.01 0.00 0.00 42.46 39.16 2jtc s ILE 199 CO 0.02 0.44 1.14 -0.90 0.00 0.00 0.00 174.94 175.64 2jtc n ASP 200 N 3.34 0.66 0.00 3.58 5.68 0.26 -1.03 116.55 129.05 2jtc n ASP 200 Ca -0.14 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 2jtc n ASP 200 Cb 0.52 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2jtc n ASP 200 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jtc n GLY 201 N 0.40 -1.29 3.53 6.12 0.00 -1.22 0.34 105.19 113.06 2jtc n GLY 201 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 2jtc n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc s ALA 202 N -1.42 -1.84 -0.29 4.61 0.00 0.67 -1.01 121.76 122.48 2jtc s ALA 202 Ca 0.00 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.22 2jtc s ALA 202 Cb 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.16 2jtc s ALA 202 CO 0.00 -0.51 0.87 -0.25 0.00 0.00 0.00 175.76 175.87 2jtc n ASP 203 N 0.27 1.84 0.00 0.00 8.00 -0.60 0.18 116.55 126.24 2jtc n ASP 203 Ca -0.11 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 53.74 2jtc n ASP 203 Cb 0.60 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jtc n GLY 204 N -0.07 2.63 2.00 0.44 0.00 -1.26 -4.78 105.19 104.15 2jtc n GLY 204 Ca 0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 2jtc n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 205 N 0.00 1.85 -1.35 1.61 1.74 -1.26 -4.68 116.66 114.57 2jtc n ARG 205 Ca 0.00 -1.27 -0.13 0.00 -0.77 0.00 0.00 57.85 55.68 2jtc n ARG 205 Cb 0.00 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 29.64 2jtc n ARG 205 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jtc n ASN 206 N 1.39 -5.20 -4.79 0.55 2.85 -1.26 -4.94 115.26 103.86 2jtc n ASN 206 Ca 0.33 0.32 -0.33 0.00 -0.11 0.00 0.00 54.58 54.79 2jtc n ASN 206 Cb 0.66 -4.10 -0.07 0.00 1.24 0.00 0.00 39.78 37.51 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2jtc s PHE 207 N -2.07 3.30 0.26 1.20 0.08 -1.26 -4.88 117.98 114.61 2jtc s PHE 207 Ca 0.00 0.22 0.09 0.00 0.12 0.00 0.00 56.93 57.36 2jtc s PHE 207 Cb 0.00 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 2jtc s PHE 207 CO 0.00 0.56 -0.14 0.71 -0.10 0.00 0.00 175.22 176.25 2jtc s TYR 208 N -1.19 2.04 -0.22 0.36 1.51 -1.26 -1.56 117.35 117.04 2jtc s TYR 208 Ca 0.23 -0.52 -0.18 0.00 -1.01 0.00 0.00 57.07 55.59 2jtc s TYR 208 Cb -0.12 -1.01 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 2jtc s TYR 208 CO 0.13 0.48 0.52 -1.58 -1.11 0.00 0.00 175.55 174.00 2jtc s HIS 209 N -2.79 3.34 0.12 2.71 2.46 -0.18 -1.72 115.29 119.23 2jtc s HIS 209 Ca 0.28 0.74 0.09 0.00 0.47 0.00 0.00 55.06 56.64 2jtc s HIS 209 Cb -0.01 -2.69 -0.04 0.00 -0.13 0.00 0.00 32.58 29.71 2jtc s HIS 209 CO 0.12 -0.15 -0.15 0.08 -2.47 0.00 0.00 174.74 172.16 2jtc s VAL 210 N 1.83 3.00 -0.64 0.89 1.01 -0.83 0.93 120.40 126.60 2jtc s VAL 210 Ca 0.23 -1.47 0.06 0.00 0.00 0.00 0.00 61.98 60.80 2jtc s VAL 210 Cb -0.15 -2.40 0.25 0.00 0.00 0.00 0.00 36.38 34.08 2jtc s VAL 210 CO 0.09 0.08 0.74 -3.20 0.00 0.00 0.00 175.10 172.81 2jtc n ASN 211 N 0.68 3.69 -3.90 3.32 2.85 0.25 -2.93 115.26 119.23 2jtc n ASN 211 Ca -0.14 -3.43 -0.26 0.00 -0.11 0.00 0.00 54.58 50.63 2jtc n ASN 211 Cb 0.53 -0.67 0.18 0.00 1.24 0.00 0.00 39.78 41.06 2jtc n ASN 211 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2jtc n TRP 212 N 0.88 -2.06 -1.02 1.20 7.02 -0.58 -2.95 117.44 119.94 2jtc n TRP 212 Ca 0.30 -0.04 -0.23 0.00 -1.02 0.00 0.00 57.50 56.51 2jtc n TRP 212 Cb 0.41 -1.47 0.06 0.00 -2.42 0.00 0.00 31.31 27.89 2jtc n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jtc n GLY 213 N 2.15 4.67 0.00 6.99 0.00 -1.24 -4.57 105.19 113.19 2jtc n GLY 213 Ca 0.04 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2jtc n GLY 213 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jtc n TRP 214 N -0.11 -0.07 -0.08 1.61 7.02 -1.26 -4.82 117.44 119.74 2jtc n TRP 214 Ca 0.41 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.79 2jtc n TRP 214 Cb 0.63 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.44 2jtc n TRP 214 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jtc n GLY 215 N 5.00 -0.29 0.02 6.99 0.00 -1.26 -4.50 105.19 111.15 2jtc n GLY 215 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 2jtc n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 216 N 2.65 -0.18 0.12 -0.02 0.00 -1.26 -4.59 105.19 101.92 2jtc n GLY 216 Ca -0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 2jtc n GLY 216 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jtc h VAL 217 N 0.00 1.50 -0.91 1.61 -1.51 -1.97 -3.30 116.25 111.68 2jtc h VAL 217 Ca -0.09 -2.38 0.24 0.00 -1.23 0.00 0.00 66.70 63.24 2jtc h VAL 217 Cb 1.12 2.28 -0.16 0.00 -2.13 0.00 0.00 31.29 32.41 2jtc h VAL 217 CO 0.00 0.68 0.08 -1.28 -1.23 0.00 0.00 177.57 175.82 2jtc h SER 218 N 0.00 -0.32 -2.93 4.19 0.87 -1.80 -3.27 113.55 110.28 2jtc h SER 218 Ca -0.01 0.24 -0.71 0.00 -1.23 0.00 0.00 61.79 60.08 2jtc h SER 218 Cb 1.23 0.40 -0.20 0.00 -0.44 0.00 0.00 62.40 63.39 2jtc h SER 218 CO 0.09 -0.27 0.26 -1.81 -0.53 0.00 0.00 176.83 174.58 2jtc s ASP 219 N -5.07 6.34 0.00 6.23 1.01 -1.24 -1.52 116.67 122.42 2jtc s ASP 219 Ca -0.13 -1.70 0.00 0.00 0.71 0.00 0.00 52.55 51.43 2jtc s ASP 219 Cb 0.27 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.89 2jtc s ASP 219 CO 0.77 -1.05 0.00 0.61 0.21 0.00 0.00 175.17 175.71 2jtc n GLY 220 N 5.13 3.70 3.84 0.21 0.00 -1.15 -5.01 105.19 111.92 2jtc n GLY 220 Ca -0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2jtc n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jtc s PHE 221 N -1.35 1.66 0.40 1.61 0.08 -1.26 -1.96 117.98 117.16 2jtc s PHE 221 Ca 0.00 -0.93 -0.25 0.00 0.12 0.00 0.00 56.93 55.87 2jtc s PHE 221 Cb 0.00 -1.74 -0.08 0.00 -0.57 0.00 0.00 43.02 40.62 2jtc s PHE 221 CO 0.00 -0.15 1.13 0.12 -0.10 0.00 0.00 175.22 176.21 2jtc s PHE 222 N -2.85 3.12 0.31 0.36 5.36 -0.70 -4.67 117.98 118.91 2jtc s PHE 222 Ca 0.18 1.59 -0.15 0.00 -0.96 0.00 0.00 56.93 57.58 2jtc s PHE 222 Cb -0.01 -3.31 -0.09 0.00 -0.34 0.00 0.00 43.02 39.28 2jtc s PHE 222 CO 0.11 -1.10 0.72 1.03 -1.46 0.00 0.00 175.22 174.52 2jtc s ARG 223 N -2.37 4.00 -0.26 10.12 3.00 -1.26 -4.79 118.95 127.38 2jtc s ARG 223 Ca 0.58 0.65 0.09 0.00 0.00 0.00 0.00 55.73 57.04 2jtc s ARG 223 Cb -0.28 -2.48 0.45 0.00 0.00 0.00 0.00 34.95 32.64 2jtc s ARG 223 CO 0.35 0.19 1.20 1.28 0.00 0.00 0.00 175.30 178.31 2jtc n LEU 224 N -0.27 4.09 0.00 2.53 4.77 -1.26 -4.87 117.00 121.98 2jtc n LEU 224 Ca 0.03 -4.42 0.00 0.00 -0.03 0.00 0.00 56.01 51.59 2jtc n LEU 224 Cb 0.53 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2jtc n LEU 224 CO 0.42 1.84 0.00 -0.90 -1.33 0.00 0.00 177.39 177.42 2jtc n ASP 225 N -0.84 0.00 0.00 -1.43 5.68 -1.26 -5.12 116.55 113.58 2jtc n ASP 225 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 2jtc n ASP 225 Cb 0.87 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jtc n ALA 226 N -1.66 0.52 -1.99 2.12 0.00 -1.26 -5.13 120.51 113.10 2jtc n ALA 226 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jtc n ALA 226 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jtc n ALA 226 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jtc n LEU 227 N 0.00 0.00 -4.99 0.00 -0.00 -1.26 -5.06 117.00 105.69 2jtc n LEU 227 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 2jtc n LEU 227 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.52 2jtc n LEU 227 CO 0.00 0.00 0.55 0.20 -0.00 0.00 0.00 177.39 178.14 2jtc s ASN 228 N -1.00 4.38 0.00 1.45 -0.87 -1.26 -4.76 114.94 112.88 2jtc s ASN 228 Ca 0.00 -0.33 0.00 0.00 -1.57 0.00 0.00 52.86 50.96 2jtc s ASN 228 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.25 41.15 2jtc s ASN 228 CO 0.00 -1.83 0.00 -0.81 -2.57 0.00 0.00 177.10 171.89 2jtc n PRO 229 N -2.82 0.00 -3.26 -0.60 -0.04 -1.26 -4.76 135.00 122.26 2jtc n PRO 229 Ca 0.15 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.15 2jtc n PRO 229 Cb 0.60 -0.04 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 2jtc n PRO 229 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2jtc s SER 230 N -1.11 6.26 -0.05 3.54 0.01 -1.26 -4.86 113.70 116.24 2jtc s SER 230 Ca 0.00 -1.82 0.18 0.00 1.31 0.00 0.00 55.95 55.62 2jtc s SER 230 Cb 0.00 -2.23 0.62 0.00 0.21 0.00 0.00 66.02 64.62 2jtc s SER 230 CO 0.00 -0.89 1.52 0.00 0.41 0.00 0.00 173.24 174.28 2jtc n ALA 231 N 5.38 2.74 0.00 1.44 0.00 -1.26 -4.40 120.51 124.41 2jtc n ALA 231 Ca -0.09 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.05 2jtc n ALA 231 Cb 0.42 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2jtc n ALA 231 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jtc n LEU 232 N 1.21 1.16 0.00 0.00 4.77 -1.26 -4.86 117.00 118.03 2jtc n LEU 232 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2jtc n LEU 232 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2jtc n LEU 232 CO 0.19 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2jtc n GLY 233 N 2.30 0.74 0.00 -0.72 0.00 -1.26 0.25 105.19 106.50 2jtc n GLY 233 Ca 0.00 0.63 0.06 0.00 0.00 0.00 0.00 46.02 46.70 2jtc n GLY 233 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jtc n THR 234 N 0.00 0.00 -3.00 2.61 -1.04 -1.26 -4.96 114.28 106.63 2jtc n THR 234 Ca 0.00 -0.25 -0.40 0.00 -2.04 0.00 0.00 64.05 61.37 2jtc n THR 234 Cb 0.00 0.70 -0.05 0.00 -1.82 0.00 0.00 70.33 69.16 2jtc n THR 234 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jtc s GLY 235 N -2.56 2.77 -0.82 3.41 0.00 0.14 -5.00 107.32 105.26 2jtc s GLY 235 Ca 0.01 0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.78 2jtc s GLY 235 CO 0.47 1.09 1.08 -0.32 0.00 0.00 0.00 173.10 175.42 2jtc s GLY 236 N 0.03 1.62 1.05 0.20 0.00 -1.26 -4.62 107.32 104.34 2jtc s GLY 236 Ca 0.38 -2.31 -0.15 0.00 0.00 0.00 0.00 44.72 42.65 2jtc s GLY 236 CO 0.22 2.09 1.12 -0.32 0.00 0.00 0.00 173.10 176.21 2jtc s GLY 237 N 3.77 1.58 -1.09 0.20 0.00 -1.26 -4.95 107.32 105.57 2jtc s GLY 237 Ca 0.29 -0.63 -0.11 0.00 0.00 0.00 0.00 44.72 44.27 2jtc s GLY 237 CO -0.01 0.08 1.13 0.00 0.00 0.00 0.00 173.10 174.30 2jtc s ALA 238 N -3.08 4.46 0.50 3.20 0.00 -1.26 -4.92 121.76 120.66 2jtc s ALA 238 Ca 0.67 -3.65 0.00 0.00 0.00 0.00 0.00 51.96 48.99 2jtc s ALA 238 Cb -0.15 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2jtc s ALA 238 CO 0.56 -2.35 0.00 0.41 0.00 0.00 0.00 175.76 174.38 2jtc n GLY 239 N 3.24 -4.54 2.72 0.00 0.00 -1.26 -4.46 105.19 100.89 2jtc n GLY 239 Ca 0.25 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 2jtc n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 240 N -3.35 0.08 0.13 -0.02 0.00 -1.26 -4.22 107.32 98.68 2jtc s GLY 240 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.60 2jtc s GLY 240 CO 0.00 2.68 0.10 1.97 0.00 0.00 0.00 173.10 177.85 2jtc n PHE 241 N 4.09 -1.34 -3.34 1.90 1.16 -1.26 -5.02 117.46 113.64 2jtc n PHE 241 Ca 0.13 -0.56 -0.36 0.00 -1.87 0.00 0.00 57.45 54.78 2jtc n PHE 241 Cb 0.45 -0.11 -0.04 0.00 -1.61 0.00 0.00 39.48 38.17 2jtc n PHE 241 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 2jtc n ASN 242 N -1.99 4.89 0.05 5.98 4.05 -1.26 -4.11 115.26 122.87 2jtc n ASN 242 Ca -0.00 -3.32 -0.11 0.00 0.45 0.00 0.00 54.58 51.59 2jtc n ASN 242 Cb 0.15 -1.02 -0.08 0.00 1.23 0.00 0.00 39.78 40.06 2jtc n ASN 242 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2jtc h GLY 243 N 5.27 -0.22 -2.89 8.20 0.00 -1.91 -3.47 103.07 108.05 2jtc h GLY 243 Ca 0.19 0.08 -0.24 0.00 0.00 0.00 0.00 47.33 47.36 2jtc h GLY 243 CO 1.02 -0.08 -0.68 -0.19 0.00 0.00 0.00 176.54 176.61 2jtc s TYR 244 N -3.54 1.00 -0.17 5.60 2.02 -1.26 -5.02 117.35 115.99 2jtc s TYR 244 Ca -0.13 -0.99 -0.16 0.00 -0.37 0.00 0.00 57.07 55.42 2jtc s TYR 244 Cb 0.01 -0.58 0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2jtc s TYR 244 CO 0.50 -0.21 0.46 -0.65 -1.57 0.00 0.00 175.55 174.07 2jtc s GLN 245 N -3.89 0.55 0.15 -0.62 -0.21 -1.26 -1.54 119.66 112.84 2jtc s GLN 245 Ca 0.18 0.62 -0.22 0.00 0.02 0.00 0.00 55.36 55.95 2jtc s GLN 245 Cb 0.06 0.27 0.07 0.00 1.00 0.00 0.00 33.01 34.40 2jtc s GLN 245 CO -0.01 -0.07 0.58 -1.54 -2.12 0.00 0.00 175.29 172.13 2jtc s SER 246 N 0.19 -0.53 0.16 5.90 1.04 -1.18 0.72 113.70 120.00 2jtc s SER 246 Ca -0.00 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2jtc s SER 246 Cb -0.03 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 2jtc s SER 246 CO 0.01 -0.95 -0.00 0.00 0.98 0.00 0.00 173.24 173.28 2jtc s ALA 247 N -3.69 1.24 -0.14 5.32 0.00 0.66 -2.49 121.76 122.66 2jtc s ALA 247 Ca 0.01 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.44 2jtc s ALA 247 Cb -0.01 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 2jtc s ALA 247 CO -0.12 -0.33 -0.18 0.08 0.00 0.00 0.00 175.76 175.21 2jtc s VAL 248 N -3.70 2.52 0.05 0.00 1.01 0.52 0.22 120.40 121.02 2jtc s VAL 248 Ca 0.22 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.41 2jtc s VAL 248 Cb 0.06 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2jtc s VAL 248 CO 0.02 0.53 -0.12 0.68 0.00 0.00 0.00 175.10 176.22 2jtc s VAL 249 N 0.67 0.90 0.00 2.92 -7.23 -0.60 -0.15 120.40 116.92 2jtc s VAL 249 Ca -0.09 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2jtc s VAL 249 Cb -0.16 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.89 2jtc s VAL 249 CO 0.02 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2jtc n GLY 250 N 1.48 0.71 3.25 2.32 0.00 -1.25 -1.33 105.19 110.37 2jtc n GLY 250 Ca -0.21 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 2jtc n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 251 N -1.65 4.82 -0.19 -0.61 1.01 -1.26 0.26 121.20 123.59 2jtc s ILE 251 Ca 0.00 -2.17 -0.28 0.00 0.00 0.00 0.00 60.65 58.20 2jtc s ILE 251 Cb 0.00 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.49 2jtc s ILE 251 CO 0.00 -0.90 0.84 -1.59 0.00 0.00 0.00 174.94 173.29 2jtc s LYS 252 N 0.75 0.77 0.00 2.79 -2.85 -1.26 -4.94 119.74 115.00 2jtc s LYS 252 Ca 0.11 0.52 0.29 0.00 -1.00 0.00 0.00 55.97 55.89 2jtc s LYS 252 Cb -0.20 0.37 1.73 0.00 -2.06 0.00 0.00 37.83 37.67 2jtc s LYS 252 CO -0.03 -0.17 2.07 -0.35 0.10 0.00 0.00 175.35 176.96