#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtc n PRO 2 N 0.00 -1.27 -4.77 3.69 -0.04 -1.26 -4.04 135.00 127.30 2jtc n PRO 2 Ca 0.00 -1.33 -0.31 0.00 -0.04 0.00 0.00 63.50 61.82 2jtc n PRO 2 Cb 0.00 -0.96 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2jtc n PRO 2 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jtc s VAL 3 N -2.79 2.81 -0.02 0.52 1.01 -1.26 -0.62 120.40 120.04 2jtc s VAL 3 Ca 0.50 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2jtc s VAL 3 Cb -0.02 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2jtc s VAL 3 CO 0.36 0.42 -0.01 -0.69 0.00 0.00 0.00 175.10 175.18 2jtc s VAL 4 N -0.85 0.21 1.06 2.92 1.01 0.65 -4.85 120.40 120.55 2jtc s VAL 4 Ca 0.13 -0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 2jtc s VAL 4 Cb -0.10 -0.25 0.24 0.00 0.00 0.00 0.00 36.38 36.26 2jtc s VAL 4 CO 0.04 0.11 1.25 -0.54 0.00 0.00 0.00 175.10 175.96 2jtc s LYS 5 N 0.58 -0.12 -0.55 2.72 -0.14 -1.26 -0.01 119.74 120.96 2jtc s LYS 5 Ca -0.06 -0.32 -0.28 0.00 -1.36 0.00 0.00 55.97 53.95 2jtc s LYS 5 Cb -0.09 -1.75 0.02 0.00 -1.68 0.00 0.00 37.83 34.33 2jtc s LYS 5 CO -0.01 -2.93 1.31 0.45 -0.76 0.00 0.00 175.35 173.40 2jtc s SER 6 N -4.56 6.31 0.11 2.83 0.15 -1.23 -3.71 113.70 113.60 2jtc s SER 6 Ca 0.73 0.28 -0.22 0.00 0.70 0.00 0.00 55.95 57.44 2jtc s SER 6 Cb -0.05 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.63 2jtc s SER 6 CO 0.54 -1.56 1.71 -0.07 1.20 0.00 0.00 173.24 175.06 2jtc h LEU 7 N 12.41 -0.20 -0.86 3.45 3.38 0.27 0.42 115.31 134.17 2jtc h LEU 7 Ca -0.26 0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.84 2jtc h LEU 7 Cb 1.08 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 2jtc h LEU 7 CO 1.17 -0.09 0.51 -0.07 0.09 0.00 0.00 178.44 180.05 2jtc h LEU 8 N -0.09 0.75 -0.49 1.67 3.38 -1.90 -1.15 115.31 117.49 2jtc h LEU 8 Ca 0.05 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2jtc h LEU 8 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jtc h LEU 8 CO -0.12 0.44 -0.16 -0.78 0.09 0.00 0.00 178.44 177.91 2jtc h ASP 9 N 0.87 0.99 0.00 -0.43 1.82 -1.54 0.19 116.42 118.32 2jtc h ASP 9 Ca 0.41 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2jtc h ASP 9 Cb 0.34 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.08 2jtc h ASP 9 CO -0.23 1.14 0.05 -1.54 -1.61 0.00 0.00 179.24 177.05 2jtc n SER 10 N -4.16 0.45 -0.38 2.28 3.41 0.14 0.04 113.62 115.40 2jtc n SER 10 Ca 0.00 0.69 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 2jtc n SER 10 Cb 0.43 -0.73 0.18 0.00 -0.26 0.00 0.00 64.21 63.82 2jtc n SER 10 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jtc n LYS 11 N -2.12 1.69 -3.96 4.33 5.02 -0.78 -4.94 118.16 117.40 2jtc n LYS 11 Ca -0.01 -2.78 -0.32 0.00 -2.02 0.00 0.00 58.31 53.18 2jtc n LYS 11 Cb 0.08 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.19 -0.45 3.54 0.72 0.00 0.11 -4.72 105.19 103.20 2jtc n GLY 12 Ca 0.19 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.04 4.64 -0.33 -0.61 1.01 0.60 -2.65 121.20 120.83 2jtc s ILE 13 Ca 0.62 0.37 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 2jtc s ILE 13 Cb -0.35 -4.33 0.11 0.00 0.01 0.00 0.00 42.46 37.90 2jtc s ILE 13 CO 0.76 -0.75 0.13 -1.00 0.00 0.00 0.00 174.94 174.08 2jtc s HIS 14 N 3.30 1.41 0.45 3.97 3.76 0.73 -4.58 115.29 124.32 2jtc s HIS 14 Ca 0.29 -1.65 0.08 0.00 -0.15 0.00 0.00 55.06 53.63 2jtc s HIS 14 Cb -0.12 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.05 2jtc s HIS 14 CO 0.22 -0.85 0.50 0.71 -0.85 0.00 0.00 174.74 174.47 2jtc s TYR 15 N 1.51 2.51 0.12 1.40 1.51 -1.26 -3.35 117.35 119.79 2jtc s TYR 15 Ca 0.11 -0.51 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2jtc s TYR 15 Cb -0.18 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 2jtc s TYR 15 CO -0.22 -0.39 0.15 -1.71 -1.11 0.00 0.00 175.55 172.27 2jtc n ASN 16 N -1.76 -0.42 0.00 2.29 5.15 -1.26 -4.80 115.26 114.45 2jtc n ASN 16 Ca 0.06 -1.65 0.00 0.00 -0.60 0.00 0.00 54.58 52.39 2jtc n ASN 16 Cb 0.61 0.80 0.00 0.00 -0.53 0.00 0.00 39.78 40.66 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jtc n GLN 17 N -0.20 1.56 0.00 1.20 6.02 -1.26 -4.73 117.38 119.97 2jtc n GLN 17 Ca 0.01 -0.25 -0.04 0.00 -0.01 0.00 0.00 57.00 56.71 2jtc n GLN 17 Cb 0.20 -0.71 -0.01 0.00 1.02 0.00 0.00 30.24 30.73 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 0.29 -0.13 0.00 1.08 0.00 -1.26 -2.73 105.19 102.45 2jtc n GLY 18 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2jtc n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jtc n ASN 19 N -3.54 0.00 -0.04 1.61 4.05 -1.26 -3.40 115.26 112.68 2jtc n ASN 19 Ca -0.06 0.00 0.02 0.00 0.45 0.00 0.00 54.58 54.98 2jtc n ASN 19 Cb 0.29 0.00 0.08 0.00 1.23 0.00 0.00 39.78 41.39 2jtc n ASN 19 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2jtc n PRO 20 N 0.00 1.05 0.05 1.20 -0.04 -1.26 -3.41 135.00 132.59 2jtc n PRO 20 Ca 0.00 -0.07 -0.14 0.00 -0.04 0.00 0.00 63.50 63.25 2jtc n PRO 20 Cb 0.00 -1.05 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.12 0.32 -0.58 0.54 0.05 -1.85 -3.02 116.97 112.55 2jtc h TYR 21 Ca 0.00 -0.23 -0.08 0.00 0.05 0.00 0.00 58.73 58.47 2jtc h TYR 21 Cb 0.03 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.70 2jtc h TYR 21 CO 0.01 1.26 0.10 0.27 -1.05 0.00 0.00 178.16 178.75 2jtc n ASN 22 N -3.39 5.01 0.00 3.88 0.23 -1.22 -4.36 115.26 115.41 2jtc n ASN 22 Ca -0.13 -3.09 0.07 0.00 -0.53 0.00 0.00 54.58 50.90 2jtc n ASN 22 Cb 1.02 -0.68 0.38 0.00 -2.08 0.00 0.00 39.78 38.42 2jtc n ASN 22 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2jtc n LEU 23 N 0.09 0.00 0.00 -4.53 4.77 -1.25 -2.79 117.00 113.29 2jtc n LEU 23 Ca 0.32 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2jtc n LEU 23 Cb 1.22 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 2jtc n LEU 23 CO 0.33 -0.12 0.05 0.18 -1.33 0.00 0.00 177.39 176.50 2jtc n LEU 24 N -1.22 0.18 -4.57 2.23 4.77 -1.26 -5.01 117.00 112.12 2jtc n LEU 24 Ca 0.08 -0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 2jtc n LEU 24 Cb 0.10 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.41 2jtc n LEU 24 CO 0.10 0.05 0.58 0.42 -1.33 0.00 0.00 177.39 177.21 2jtc s THR 25 N -0.24 2.08 0.14 -5.08 -4.23 -1.12 -4.91 115.64 102.28 2jtc s THR 25 Ca 0.00 0.03 -0.31 0.00 -1.18 0.00 0.00 61.69 60.23 2jtc s THR 25 Cb 0.00 -2.09 -0.08 0.00 1.34 0.00 0.00 72.50 71.67 2jtc s THR 25 CO 0.00 -0.03 1.35 -2.16 -0.54 0.00 0.00 174.62 173.24 2jtc s PRO 26 N -4.55 4.35 0.49 3.99 0.04 -1.26 -4.59 135.00 133.46 2jtc s PRO 26 Ca 0.68 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.57 2jtc s PRO 26 Cb -0.24 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 2jtc s PRO 26 CO 0.62 -0.37 1.00 0.08 0.04 0.00 0.00 177.00 178.37 2jtc s VAL 27 N 0.80 4.11 0.46 -0.36 1.01 -1.26 -1.35 120.40 123.81 2jtc s VAL 27 Ca 0.62 1.22 -0.20 0.00 0.00 0.00 0.00 61.98 63.62 2jtc s VAL 27 Cb -0.36 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 2jtc s VAL 27 CO 0.33 -0.37 0.99 -0.63 0.00 0.00 0.00 175.10 175.42 2jtc s ILE 28 N -2.21 4.10 0.00 2.22 1.01 0.71 -4.83 121.20 122.21 2jtc s ILE 28 Ca 0.64 1.29 0.00 0.00 0.00 0.00 0.00 60.65 62.58 2jtc s ILE 28 Cb -0.13 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2jtc s ILE 28 CO 0.22 -0.30 0.00 -0.62 0.00 0.00 0.00 174.94 174.23 2jtc n GLU 29 N -0.86 2.02 -4.69 2.79 1.02 -1.04 -1.04 120.64 118.85 2jtc n GLU 29 Ca 0.08 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 2jtc n GLU 29 Cb 0.53 -0.87 -0.08 0.00 -0.02 0.00 0.00 31.44 31.00 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 -1.57 2.09 0.03 3.49 1.02 0.81 -4.81 119.74 120.80 2jtc s LYS 30 Ca 0.00 -2.30 0.06 0.00 0.02 0.00 0.00 55.97 53.75 2jtc s LYS 30 Cb 0.00 -1.41 -0.03 0.00 -0.52 0.00 0.00 37.83 35.86 2jtc s LYS 30 CO 0.00 -0.31 -0.13 0.08 -0.92 0.00 0.00 175.35 174.07 2jtc s VAL 31 N -2.90 3.14 -0.08 3.17 1.01 -1.25 -4.22 120.40 119.27 2jtc s VAL 31 Ca 0.15 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2jtc s VAL 31 Cb 0.04 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2jtc s VAL 31 CO 0.08 0.34 0.61 -0.75 0.00 0.00 0.00 175.10 175.38 2jtc s LYS 32 N -1.48 4.39 -0.02 2.72 2.20 -1.23 -4.76 119.74 121.56 2jtc s LYS 32 Ca 0.16 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 2jtc s LYS 32 Cb -0.11 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 2jtc s LYS 32 CO 0.07 0.14 1.45 -1.25 -0.36 0.00 0.00 175.35 175.39 2jtc s PRO 33 N 0.60 4.25 0.00 4.03 0.04 -1.26 -2.38 135.00 140.29 2jtc s PRO 33 Ca 0.33 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2jtc s PRO 33 Cb -0.17 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2jtc s PRO 33 CO 0.15 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2jtc n GLY 34 N 3.74 1.15 3.51 0.56 0.00 -1.26 -5.08 105.19 107.82 2jtc n GLY 34 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.54 1.85 0.56 1.61 2.56 -1.00 -5.17 118.70 118.57 2jtc s GLU 35 Ca 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 54.97 53.22 2jtc s GLU 35 Cb 0.00 0.45 0.13 0.00 2.00 0.00 0.00 34.13 36.71 2jtc s GLU 35 CO 0.00 -0.77 0.77 1.04 -0.56 0.00 0.00 175.26 175.73 2jtc n GLN 36 N -0.52 -0.73 -2.90 4.30 6.02 -1.26 -4.80 117.38 117.49 2jtc n GLN 36 Ca 0.00 -1.20 -0.40 0.00 -0.01 0.00 0.00 57.00 55.39 2jtc n GLN 36 Cb 0.62 -0.78 -0.05 0.00 1.02 0.00 0.00 30.24 31.04 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 -3.80 7.35 -0.07 1.08 0.15 -1.26 -4.40 113.70 112.74 2jtc s SER 37 Ca 0.43 1.61 0.10 0.00 0.70 0.00 0.00 55.95 58.80 2jtc s SER 37 Cb -0.01 -2.52 0.16 0.00 -1.71 0.00 0.00 66.02 61.94 2jtc s SER 37 CO 0.30 0.04 1.07 0.49 1.20 0.00 0.00 173.24 176.34 2jtc n PHE 38 N 2.50 0.00 -1.92 3.44 3.72 -1.26 -5.02 117.46 118.93 2jtc n PHE 38 Ca -0.02 -0.75 -0.39 0.00 -0.05 0.00 0.00 57.45 56.24 2jtc n PHE 38 Cb 0.49 -0.10 0.01 0.00 -0.94 0.00 0.00 39.48 38.94 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 -1.98 2.34 0.00 -4.37 1.01 -1.26 -1.36 120.40 114.78 2jtc s VAL 39 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2jtc s VAL 39 Cb 0.15 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2jtc s VAL 39 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2jtc n GLY 40 N 0.62 1.76 3.69 4.51 0.00 -0.20 -4.89 105.19 110.67 2jtc n GLY 40 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.01 4.40 -0.38 1.61 -0.21 -0.46 -4.75 119.66 119.86 2jtc s GLN 41 Ca 0.00 1.08 -0.29 0.00 0.02 0.00 0.00 55.36 56.17 2jtc s GLN 41 Cb 0.00 -3.51 0.00 0.00 1.00 0.00 0.00 33.01 30.50 2jtc s GLN 41 CO 0.00 -0.15 1.52 -1.01 -2.12 0.00 0.00 175.29 173.54 2jtc s HIS 42 N 1.48 2.23 0.89 0.91 3.76 -1.26 -0.21 115.29 123.09 2jtc s HIS 42 Ca 0.41 0.66 -0.14 0.00 -0.15 0.00 0.00 55.06 55.84 2jtc s HIS 42 Cb -0.18 -4.24 0.02 0.00 1.11 0.00 0.00 32.58 29.29 2jtc s HIS 42 CO 0.18 -2.28 0.44 0.00 -0.85 0.00 0.00 174.74 172.23 2jtc n ALA 43 N 9.19 -2.31 -1.59 -1.40 0.00 -0.46 -4.87 120.51 119.07 2jtc n ALA 43 Ca 0.18 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 2jtc n ALA 43 Cb 0.47 -1.82 0.12 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.27 1.98 0.07 0.00 0.00 -0.91 -4.63 121.76 115.99 2jtc s ALA 44 Ca 0.59 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 2jtc s ALA 44 Cb -0.24 -3.03 -0.28 0.00 0.00 0.00 0.00 23.12 19.57 2jtc s ALA 44 CO 0.65 -2.11 1.11 1.79 0.00 0.00 0.00 175.76 177.20 2jtc h THR 45 N -1.37 1.47 0.00 0.00 1.35 -1.81 -3.42 112.91 109.13 2jtc h THR 45 Ca -0.49 -3.06 0.00 0.00 -0.55 0.00 0.00 66.41 62.30 2jtc h THR 45 Cb 1.32 2.91 0.00 0.00 -1.73 0.00 0.00 68.15 70.65 2jtc h THR 45 CO 0.62 0.89 0.00 0.61 -0.25 0.00 0.00 175.52 177.39 2jtc n GLY 46 N 1.53 2.57 0.15 5.82 0.00 -1.25 -4.40 105.19 109.61 2jtc n GLY 46 Ca -0.09 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.16 -0.47 1.61 4.64 -1.90 0.35 113.55 117.62 2jtc h SER 47 Ca 0.00 0.08 0.08 0.00 -0.47 0.00 0.00 61.79 61.48 2jtc h SER 47 Cb 0.00 0.15 -0.10 0.00 -0.31 0.00 0.00 62.40 62.14 2jtc h SER 47 CO 0.00 -0.04 -0.42 0.58 -0.87 0.00 0.00 176.83 176.08 2jtc h VAL 48 N 0.08 0.11 -0.05 0.95 2.07 -1.83 2.18 116.25 119.76 2jtc h VAL 48 Ca 0.16 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 2jtc h VAL 48 Cb 0.23 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2jtc h VAL 48 CO -0.28 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.28 2jtc h ALA 49 N 0.54 0.03 -0.54 1.67 0.00 -1.42 -0.72 119.26 118.81 2jtc h ALA 49 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2jtc h ALA 49 Cb 0.57 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2jtc h ALA 49 CO -0.62 -0.50 0.18 1.15 0.00 0.00 0.00 179.25 179.47 2jtc h THR 50 N -0.02 1.21 -0.49 0.00 2.02 0.16 1.52 112.91 117.31 2jtc h THR 50 Ca 0.03 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.42 2jtc h THR 50 Cb 0.06 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2jtc h THR 50 CO -0.06 0.26 -0.10 0.00 0.37 0.00 0.00 175.52 175.99 2jtc h ALA 51 N 1.42 0.91 0.11 6.16 0.00 0.40 0.51 119.26 128.77 2jtc h ALA 51 Ca 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jtc h ALA 51 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jtc h ALA 51 CO -0.01 0.63 -0.05 1.15 0.00 0.00 0.00 179.25 180.97 2jtc h THR 52 N 0.80 0.95 -0.90 0.00 2.02 -0.30 -3.02 112.91 112.46 2jtc h THR 52 Ca 0.13 -1.32 0.10 0.00 0.77 0.00 0.00 66.41 66.10 2jtc h THR 52 Cb 0.61 1.65 -0.08 0.00 -1.74 0.00 0.00 68.15 68.60 2jtc h THR 52 CO 0.04 0.27 0.54 0.00 0.37 0.00 0.00 175.52 176.74 2jtc h ALA 53 N -0.27 1.31 -0.34 6.16 0.00 0.22 0.65 119.26 126.98 2jtc h ALA 53 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jtc h ALA 53 Cb 0.55 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jtc h ALA 53 CO 0.02 0.17 0.14 1.96 0.00 0.00 0.00 179.25 181.55 2jtc h GLN 54 N 0.89 0.29 0.00 0.00 4.20 -0.97 1.08 115.11 120.61 2jtc h GLN 54 Ca 0.44 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.10 2jtc h GLN 54 Cb 0.39 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2jtc h GLN 54 CO -0.25 0.19 -0.12 0.82 -0.67 0.00 0.00 178.83 178.80 2jtc h ILE 55 N 0.30 0.51 -0.10 2.54 2.04 -0.94 0.38 117.51 122.24 2jtc h ILE 55 Ca 0.15 -0.58 -0.21 0.00 1.00 0.00 0.00 64.86 65.22 2jtc h ILE 55 Cb 0.10 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2jtc h ILE 55 CO -0.13 0.12 -0.79 0.24 0.00 0.00 0.00 178.15 177.59 2jtc h MET 56 N 0.00 0.61 -0.27 2.37 2.86 0.50 -2.83 114.93 118.17 2jtc h MET 56 Ca -0.00 -0.52 -0.18 0.00 -2.06 0.00 0.00 59.70 56.94 2jtc h MET 56 Cb 0.38 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2jtc h MET 56 CO 0.02 1.14 -0.54 -0.22 1.06 0.00 0.00 176.91 178.36 2jtc h LYS 57 N 0.41 0.81 -0.81 1.72 1.63 0.25 1.94 116.57 122.51 2jtc h LYS 57 Ca -0.05 -0.51 0.17 0.00 -0.85 0.00 0.00 60.65 59.41 2jtc h LYS 57 Cb 1.40 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 33.03 2jtc h LYS 57 CO 0.15 1.14 0.54 -0.92 -3.45 0.00 0.00 179.45 176.91 2jtc h TYR 58 N 0.62 0.51 0.00 1.91 5.03 -0.20 -2.19 116.97 122.65 2jtc h TYR 58 Ca 0.02 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2jtc h TYR 58 Cb 1.13 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 39.26 2jtc h TYR 58 CO 0.07 0.17 -1.62 0.72 -1.32 0.00 0.00 178.16 176.18 2jtc n HIS 59 N -4.49 0.00 -4.11 -3.82 8.25 -1.06 -4.99 115.22 105.01 2jtc n HIS 59 Ca 0.16 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.28 2jtc n HIS 59 Cb 0.59 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 2jtc n HIS 59 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2jtc n ASN 60 N -1.97 -1.10 0.00 0.41 0.23 0.65 -4.86 115.26 108.62 2jtc n ASN 60 Ca -0.03 -1.17 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 2jtc n ASN 60 Cb 0.36 -1.43 0.00 0.00 -2.08 0.00 0.00 39.78 36.63 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jtc n TYR 61 N -4.44 0.00 -2.00 -2.53 9.36 -1.25 -4.64 117.16 111.67 2jtc n TYR 61 Ca -0.21 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.61 2jtc n TYR 61 Cb 0.58 -0.31 -0.03 0.00 -0.63 0.00 0.00 39.34 38.95 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 -1.23 2.83 0.48 2.98 0.04 -1.26 -4.77 135.00 134.08 2jtc s PRO 62 Ca 0.00 0.94 0.31 0.00 0.04 0.00 0.00 61.00 62.29 2jtc s PRO 62 Cb 0.00 -4.33 1.23 0.00 0.04 0.00 0.00 34.50 31.44 2jtc s PRO 62 CO 0.00 -2.47 1.91 -0.97 0.04 0.00 0.00 177.00 175.51 2jtc h ASN 63 N 14.56 0.00 -4.11 6.66 -0.73 -1.82 -3.39 115.58 126.75 2jtc h ASN 63 Ca -0.28 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.53 2jtc h ASN 63 Cb 1.17 0.00 -0.27 0.00 0.27 0.00 0.00 38.32 39.49 2jtc h ASN 63 CO 1.15 0.00 -0.77 -0.75 -0.37 0.00 0.00 177.43 176.69 2jtc s LYS 64 N -3.57 0.62 0.60 6.67 2.20 -1.26 0.13 119.74 125.13 2jtc s LYS 64 Ca 0.02 -0.37 -0.19 0.00 -0.36 0.00 0.00 55.97 55.07 2jtc s LYS 64 Cb 0.09 -0.58 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 2jtc s LYS 64 CO 0.52 0.15 1.21 0.41 -0.36 0.00 0.00 175.35 177.28 2jtc n GLY 65 N 2.63 0.34 0.07 5.54 0.00 -0.61 -4.84 105.19 108.32 2jtc n GLY 65 Ca -0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 2jtc n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jtc h LEU 66 N 0.81 0.00 -8.04 0.99 6.46 -1.43 -3.40 115.31 110.70 2jtc h LEU 66 Ca -0.50 -0.06 -0.19 0.00 -0.12 0.00 0.00 57.88 57.01 2jtc h LEU 66 Cb 1.34 0.00 -0.21 0.00 -0.73 0.00 0.00 40.66 41.06 2jtc h LEU 66 CO 0.54 0.76 -0.71 -0.75 -0.62 0.00 0.00 178.44 177.66 2jtc s LYS 67 N -2.11 0.38 1.14 1.25 2.20 -1.17 -4.36 119.74 117.06 2jtc s LYS 67 Ca -0.13 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.62 2jtc s LYS 67 Cb 0.02 0.02 0.27 0.00 -1.51 0.00 0.00 37.83 36.63 2jtc s LYS 67 CO 0.21 -0.03 1.23 -0.51 -0.36 0.00 0.00 175.35 175.89 2jtc s ASP 68 N -1.55 1.56 0.20 1.43 1.01 -1.26 -2.76 116.67 115.29 2jtc s ASP 68 Ca -0.14 0.32 -0.09 0.00 0.71 0.00 0.00 52.55 53.36 2jtc s ASP 68 Cb -0.09 -0.36 -0.01 0.00 1.01 0.00 0.00 42.92 43.47 2jtc s ASP 68 CO -0.01 -3.70 0.32 -0.47 0.21 0.00 0.00 175.17 171.52 2jtc s TYR 69 N -3.47 0.51 -0.16 4.23 5.04 0.22 -4.77 117.35 118.95 2jtc s TYR 69 Ca 0.75 -0.85 -0.29 0.00 -2.44 0.00 0.00 57.07 54.24 2jtc s TYR 69 Cb -0.05 -0.06 0.11 0.00 0.35 0.00 0.00 41.96 42.32 2jtc s TYR 69 CO 0.55 -0.79 0.92 -0.08 -1.34 0.00 0.00 175.55 174.80 2jtc s THR 70 N -4.01 0.00 -0.05 4.34 -1.32 -1.26 -0.86 115.64 112.48 2jtc s THR 70 Ca 0.22 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.41 2jtc s THR 70 Cb 0.03 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.11 2jtc s THR 70 CO 0.05 0.00 0.78 -0.72 -2.21 0.00 0.00 174.62 172.52 2jtc s TYR 71 N -0.83 -0.52 -0.02 9.09 1.13 -0.71 -4.97 117.35 120.51 2jtc s TYR 71 Ca -0.03 0.76 -0.15 0.00 -1.41 0.00 0.00 57.07 56.24 2jtc s TYR 71 Cb -0.01 0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 2jtc s TYR 71 CO 0.02 -0.56 0.42 0.99 -2.51 0.00 0.00 175.55 173.91 2jtc s THR 72 N -1.77 5.05 0.60 -3.49 2.01 -1.26 -0.56 115.64 116.21 2jtc s THR 72 Ca -0.05 0.85 -0.18 0.00 0.31 0.00 0.00 61.69 62.63 2jtc s THR 72 Cb -0.00 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 2jtc s THR 72 CO 0.02 0.53 0.77 -0.11 -0.69 0.00 0.00 174.62 175.14 2jtc n LEU 73 N 2.15 2.46 -4.76 4.42 7.94 0.37 -4.89 117.00 124.69 2jtc n LEU 73 Ca -0.13 0.77 -0.39 0.00 -1.11 0.00 0.00 56.01 55.15 2jtc n LEU 73 Cb 0.52 -1.29 0.02 0.00 0.53 0.00 0.00 43.42 43.20 2jtc n LEU 73 CO 0.38 -2.40 1.01 -0.55 -1.11 0.00 0.00 177.39 174.73 2jtc s SER 74 N -1.24 5.77 0.00 1.96 0.15 -1.26 -4.81 113.70 114.27 2jtc s SER 74 Ca 0.73 2.80 0.16 0.00 0.70 0.00 0.00 55.95 60.34 2jtc s SER 74 Cb -0.42 -2.64 0.91 0.00 -1.71 0.00 0.00 66.02 62.15 2jtc s SER 74 CO 0.50 -1.23 1.40 -0.24 1.20 0.00 0.00 173.24 174.86 2jtc n SER 75 N -0.41 0.00 -0.10 5.45 2.88 -1.26 -1.85 113.62 118.33 2jtc n SER 75 Ca 0.07 -0.32 0.10 0.00 -1.33 0.00 0.00 58.87 57.39 2jtc n SER 75 Cb 0.43 -0.10 -0.09 0.00 -0.75 0.00 0.00 64.21 63.71 2jtc n SER 75 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jtc n ASN 76 N -1.10 1.20 -4.60 -3.46 5.15 -1.26 -4.88 115.26 106.31 2jtc n ASN 76 Ca 0.11 -1.09 -0.43 0.00 -0.60 0.00 0.00 54.58 52.57 2jtc n ASN 76 Cb 0.08 0.88 -0.03 0.00 -0.53 0.00 0.00 39.78 40.19 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 -2.90 6.00 -0.07 1.20 3.84 -0.77 -4.84 114.94 117.41 2jtc s ASN 77 Ca 0.10 1.11 0.08 0.00 0.21 0.00 0.00 52.86 54.36 2jtc s ASN 77 Cb 0.16 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.69 2jtc s ASN 77 CO 0.81 -1.66 1.15 -0.81 -2.79 0.00 0.00 177.10 173.80 2jtc n PRO 78 N 8.36 2.43 -0.03 0.43 -0.04 -1.26 -3.95 135.00 140.94 2jtc n PRO 78 Ca 0.21 -1.39 0.03 0.00 -0.04 0.00 0.00 63.50 62.31 2jtc n PRO 78 Cb 0.47 -1.63 -0.13 0.00 -0.04 0.00 0.00 33.50 32.17 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 -4.44 0.54 4.01 -1.26 -3.48 117.16 112.90 2jtc n TYR 79 Ca 0.12 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.64 2jtc n TYR 79 Cb 0.54 -0.53 -0.10 0.00 -0.31 0.00 0.00 39.34 38.94 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 -2.90 2.10 0.00 -0.72 0.40 -1.25 0.28 117.98 115.89 2jtc s PHE 80 Ca -0.07 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 2jtc s PHE 80 Cb 0.09 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.61 2jtc s PHE 80 CO 0.69 0.54 0.57 0.09 0.70 0.00 0.00 175.22 177.80 2jtc n ASN 81 N -0.58 0.00 0.00 1.36 3.02 -1.26 -4.91 115.26 112.89 2jtc n ASN 81 Ca -0.06 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 2jtc n ASN 81 Cb 0.61 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 2jtc n ASN 81 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jtc n HIS 82 N -1.09 0.00 -0.97 3.10 8.25 -1.26 -4.94 115.22 118.31 2jtc n HIS 82 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2jtc n HIS 82 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 2.57 -3.60 -0.41 -0.04 -1.26 -4.20 135.00 128.06 2jtc n PRO 83 Ca 0.00 -1.57 -0.40 0.00 -0.04 0.00 0.00 63.50 61.48 2jtc n PRO 83 Cb 0.00 -2.45 -0.10 0.00 -0.04 0.00 0.00 33.50 30.91 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 2.46 2.71 -0.12 0.54 2.47 -1.26 -4.96 119.74 121.56 2jtc s LYS 84 Ca 0.54 -1.29 -0.07 0.00 -1.56 0.00 0.00 55.97 53.59 2jtc s LYS 84 Cb 0.17 -3.76 -0.04 0.00 -1.46 0.00 0.00 37.83 32.74 2jtc s LYS 84 CO -0.04 -0.84 0.13 -0.80 0.16 0.00 0.00 175.35 173.96 2jtc s ASN 85 N 1.88 6.29 -0.17 1.43 0.02 -1.26 0.14 114.94 123.26 2jtc s ASN 85 Ca 0.02 0.43 -0.01 0.00 -1.02 0.00 0.00 52.86 52.28 2jtc s ASN 85 Cb -0.21 -2.03 0.00 0.00 0.02 0.00 0.00 41.25 39.03 2jtc s ASN 85 CO 0.04 0.39 -0.14 -0.76 0.02 0.00 0.00 177.10 176.65 2jtc s LEU 86 N -0.90 2.51 -0.14 0.60 1.02 0.28 -4.94 118.68 117.11 2jtc s LEU 86 Ca 0.14 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.83 2jtc s LEU 86 Cb -0.12 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.51 2jtc s LEU 86 CO 0.03 0.04 -0.22 0.12 0.02 0.00 0.00 176.35 176.35 2jtc s PHE 87 N 1.06 2.63 -0.31 0.29 5.36 -1.26 -1.74 117.98 124.00 2jtc s PHE 87 Ca -0.01 -1.31 -0.08 0.00 -0.96 0.00 0.00 56.93 54.57 2jtc s PHE 87 Cb -0.15 -1.79 0.01 0.00 -0.34 0.00 0.00 43.02 40.76 2jtc s PHE 87 CO -0.03 -0.60 0.12 0.00 -1.46 0.00 0.00 175.22 173.24 2jtc s ALA 88 N 0.80 3.14 -0.33 11.12 0.00 -0.04 -4.95 121.76 131.50 2jtc s ALA 88 Ca -0.08 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.33 2jtc s ALA 88 Cb -0.16 -2.28 -0.15 0.00 0.00 0.00 0.00 23.12 20.54 2jtc s ALA 88 CO -0.01 -1.03 2.54 0.00 0.00 0.00 0.00 175.76 177.26 2jtc n ALA 89 N 4.90 4.91 -0.19 0.00 0.00 -1.26 -0.61 120.51 128.26 2jtc n ALA 89 Ca -0.14 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.71 2jtc n ALA 89 Cb 0.48 -2.54 0.10 0.00 0.00 0.00 0.00 19.45 17.49 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 2.62 0.67 -0.97 0.00 2.04 -1.87 0.50 117.51 120.51 2jtc h ILE 90 Ca 0.27 -0.10 0.28 0.00 1.00 0.00 0.00 64.86 66.31 2jtc h ILE 90 Cb 0.78 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2jtc h ILE 90 CO 0.68 0.05 0.95 0.77 0.00 0.00 0.00 178.15 180.61 2jtc h SER 91 N 0.28 0.00 -0.56 1.72 4.64 -1.71 1.96 113.55 119.88 2jtc h SER 91 Ca 0.31 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.28 2jtc h SER 91 Cb 0.44 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.32 2jtc h SER 91 CO -0.38 0.00 -0.04 0.35 -0.87 0.00 0.00 176.83 175.90 2jtc n THR 92 N -3.59 2.75 -3.15 2.95 -2.24 0.17 -4.50 114.28 106.67 2jtc n THR 92 Ca 0.21 -3.00 -0.30 0.00 -2.27 0.00 0.00 64.05 58.69 2jtc n THR 92 Cb 1.26 -0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 2jtc n THR 92 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jtc s ARG 93 N -3.40 3.73 -0.54 -0.78 1.81 0.66 -4.89 118.95 115.55 2jtc s ARG 93 Ca 0.50 0.26 0.01 0.00 -1.72 0.00 0.00 55.73 54.78 2jtc s ARG 93 Cb 0.43 -2.54 0.14 0.00 -0.45 0.00 0.00 34.95 32.53 2jtc s ARG 93 CO 0.01 0.13 0.31 -1.14 -0.68 0.00 0.00 175.30 173.93 2jtc s GLN 94 N -3.52 2.15 -1.09 3.54 -0.44 -1.26 -1.57 119.66 117.46 2jtc s GLN 94 Ca 0.48 -2.51 -0.21 0.00 -2.50 0.00 0.00 55.36 50.61 2jtc s GLN 94 Cb -0.11 -3.47 0.07 0.00 -1.64 0.00 0.00 33.01 27.87 2jtc s GLN 94 CO 0.28 -1.12 1.49 0.71 0.50 0.00 0.00 175.29 177.16 2jtc s TYR 95 N -0.08 2.68 -1.05 1.67 2.02 0.35 -4.91 117.35 118.03 2jtc s TYR 95 Ca 0.16 -1.14 -0.22 0.00 -0.37 0.00 0.00 57.07 55.50 2jtc s TYR 95 Cb -0.23 -4.66 0.04 0.00 -0.40 0.00 0.00 41.96 36.71 2jtc s TYR 95 CO -0.02 -1.84 1.53 1.21 -1.57 0.00 0.00 175.55 174.85 2jtc s ASN 96 N 4.58 6.44 0.00 2.29 2.47 -1.26 -4.39 114.94 125.07 2jtc s ASN 96 Ca 0.47 -1.53 0.02 0.00 0.42 0.00 0.00 52.86 52.24 2jtc s ASN 96 Cb 0.00 -2.57 0.12 0.00 -1.45 0.00 0.00 41.25 37.36 2jtc s ASN 96 CO -0.05 -1.56 0.89 0.79 -3.72 0.00 0.00 177.10 173.44 2jtc n TRP 97 N 9.21 0.00 0.15 0.43 7.02 -1.26 -0.20 117.44 132.79 2jtc n TRP 97 Ca 0.36 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.95 2jtc n TRP 97 Cb 0.50 -0.28 0.02 0.00 -2.42 0.00 0.00 31.31 29.12 2jtc n TRP 97 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2jtc h ASN 98 N 0.00 0.00 0.00 -0.99 -0.00 -2.01 -3.34 115.58 109.25 2jtc h ASN 98 Ca 0.00 -0.03 -0.27 0.00 -0.00 0.00 0.00 56.30 56.00 2jtc h ASN 98 Cb 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.29 2jtc h ASN 98 CO 0.00 0.01 -2.28 0.59 -0.00 0.00 0.00 177.43 175.75 2jtc n ASN 99 N -2.62 0.04 -3.69 1.15 3.02 0.72 -4.62 115.26 109.26 2jtc n ASN 99 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.13 2jtc n ASN 99 Cb 0.54 1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 40.92 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 -2.62 2.45 -1.47 2.41 5.41 -0.39 -4.45 119.36 120.69 2jtc n ILE 100 Ca -0.25 -2.15 -0.39 0.00 1.00 0.00 0.00 62.75 60.95 2jtc n ILE 100 Cb 1.01 -2.43 0.03 0.00 -0.71 0.00 0.00 39.64 37.54 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 7.10 0.73 0.18 1.39 4.77 -1.26 -4.87 117.00 125.04 2jtc n LEU 101 Ca 0.50 0.79 0.07 0.00 -0.03 0.00 0.00 56.01 57.34 2jtc n LEU 101 Cb 0.40 -1.17 0.13 0.00 -2.33 0.00 0.00 43.42 40.45 2jtc n LEU 101 CO 0.98 -2.93 0.65 1.55 -1.33 0.00 0.00 177.39 176.30 2jtc h PRO 102 N 0.42 0.00 -3.39 3.23 0.13 -1.84 -3.44 132.00 127.11 2jtc h PRO 102 Ca -0.45 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.32 2jtc h PRO 102 Cb 1.40 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.15 2jtc h PRO 102 CO 0.48 0.27 -0.74 -0.08 -0.23 0.00 0.00 178.00 177.70 2jtc s THR 103 N -3.13 -0.05 -0.07 1.56 -1.32 -1.08 0.26 115.64 111.81 2jtc s THR 103 Ca 0.05 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 2jtc s THR 103 Cb 0.07 -0.18 -0.03 0.00 -1.51 0.00 0.00 72.50 70.85 2jtc s THR 103 CO 0.70 0.17 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.93 2jtc s TYR 104 N 1.94 3.00 -2.86 9.09 2.02 -1.21 -4.92 117.35 124.41 2jtc s TYR 104 Ca 0.02 0.07 0.24 0.00 -0.37 0.00 0.00 57.07 57.03 2jtc s TYR 104 Cb -0.12 -1.72 0.17 0.00 -0.40 0.00 0.00 41.96 39.88 2jtc s TYR 104 CO -0.03 0.38 1.24 -1.13 -1.57 0.00 0.00 175.55 174.43 2jtc n SER 105 N 2.13 2.85 0.00 2.29 3.41 -1.26 -4.92 113.62 118.11 2jtc n SER 105 Ca -0.18 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 2jtc n SER 105 Cb 0.53 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 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 1.36 1.08 0.10 5.00 0.00 -1.26 -4.80 105.19 106.67 2jtc n GLY 106 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.03 -1.00 1.61 1.74 -1.26 -4.92 116.66 110.85 2jtc n ARG 107 Ca 0.00 -0.83 -0.30 0.00 -0.77 0.00 0.00 57.85 55.96 2jtc n ARG 107 Cb 0.00 -1.05 0.16 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.35 0.84 1.25 5.56 8.01 -1.26 -4.98 118.70 127.77 2jtc s GLU 108 Ca 0.03 0.95 -0.15 0.00 0.01 0.00 0.00 54.97 55.81 2jtc s GLU 108 Cb 0.02 -1.75 0.32 0.00 -4.31 0.00 0.00 34.13 28.41 2jtc s GLU 108 CO 0.03 -2.56 0.99 0.45 0.01 0.00 0.00 175.26 174.18 2jtc s SER 109 N -3.13 0.24 0.19 -0.19 0.15 -1.26 -4.83 113.70 104.86 2jtc s SER 109 Ca 0.65 1.40 0.06 0.00 0.70 0.00 0.00 55.95 58.75 2jtc s SER 109 Cb -0.20 -2.14 0.07 0.00 -1.71 0.00 0.00 66.02 62.04 2jtc s SER 109 CO 0.58 -4.64 1.44 0.78 1.20 0.00 0.00 173.24 172.60 2jtc h ASN 110 N -2.92 0.14 0.16 5.45 2.35 -1.98 -2.94 115.58 115.84 2jtc h ASN 110 Ca -0.60 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 2jtc h ASN 110 Cb 1.34 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.64 2jtc h ASN 110 CO 0.46 0.89 -0.34 0.58 -1.65 0.00 0.00 177.43 177.36 2jtc h VAL 111 N 0.06 0.00 -0.13 2.81 2.07 -1.99 1.21 116.25 120.29 2jtc h VAL 111 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2jtc h VAL 111 Cb 1.41 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2jtc h VAL 111 CO 0.12 0.00 -0.04 1.56 0.02 0.00 0.00 177.57 179.22 2jtc h GLN 112 N -0.55 0.19 -0.35 1.57 7.50 -1.78 -1.91 115.11 119.78 2jtc h GLN 112 Ca -0.02 -0.03 -0.06 0.00 0.50 0.00 0.00 58.65 59.05 2jtc h GLN 112 Cb 0.52 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 2jtc h GLN 112 CO -0.14 0.25 -0.00 0.87 -1.50 0.00 0.00 178.83 178.31 2jtc h LYS 113 N 0.19 0.62 -0.51 1.46 1.57 -1.07 -2.22 116.57 116.61 2jtc h LYS 113 Ca 0.04 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2jtc h LYS 113 Cb 0.20 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2jtc h LYS 113 CO 0.01 0.74 0.34 1.98 -0.57 0.00 0.00 179.45 181.94 2jtc h MET 114 N 0.43 0.58 0.08 3.15 4.05 0.22 -0.28 114.93 123.16 2jtc h MET 114 Ca 0.10 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2jtc h MET 114 Cb 0.46 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2jtc h MET 114 CO 0.02 0.38 -0.05 0.00 0.23 0.00 0.00 176.91 177.49 2jtc h ALA 115 N 1.70 -0.92 -0.92 0.39 0.00 -0.79 -0.22 119.26 118.49 2jtc h ALA 115 Ca 0.20 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jtc h ALA 115 Cb 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2jtc h ALA 115 CO -0.05 -0.92 0.61 0.97 0.00 0.00 0.00 179.25 179.86 2jtc h ILE 116 N -0.12 1.23 -0.99 0.00 6.09 -1.42 -1.61 117.51 120.69 2jtc h ILE 116 Ca -0.01 -0.42 0.07 0.00 -1.37 0.00 0.00 64.86 63.13 2jtc h ILE 116 Cb 0.10 -0.12 -0.07 0.00 0.47 0.00 0.00 36.82 37.20 2jtc h ILE 116 CO 0.01 0.23 0.63 0.77 -3.07 0.00 0.00 178.15 176.72 2jtc h SER 117 N 1.24 1.00 -0.31 2.19 4.64 -0.90 0.59 113.55 122.00 2jtc h SER 117 Ca 0.34 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.52 2jtc h SER 117 Cb -0.13 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 2jtc h SER 117 CO -0.08 0.63 -0.40 -0.08 -0.87 0.00 0.00 176.83 176.03 2jtc h GLU 118 N 1.13 0.87 0.96 4.77 4.81 -0.36 -1.37 114.58 125.39 2jtc h GLU 118 Ca 0.44 -0.46 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2jtc h GLU 118 Cb 0.21 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.62 2jtc h GLU 118 CO -0.19 1.11 -0.46 1.25 -0.73 0.00 0.00 179.01 179.99 2jtc h LEU 119 N 0.71 -1.09 -1.08 1.64 5.85 -0.28 0.24 115.31 121.30 2jtc h LEU 119 Ca 0.05 0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.01 2jtc h LEU 119 Cb 0.98 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 42.19 2jtc h LEU 119 CO 0.09 -0.77 0.61 0.24 -0.34 0.00 0.00 178.44 178.28 2jtc h MET 120 N -1.31 0.69 -0.57 1.25 2.86 -0.96 0.70 114.93 117.60 2jtc h MET 120 Ca -0.13 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 2jtc h MET 120 Cb 0.99 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 2jtc h MET 120 CO 0.22 0.46 0.06 0.00 1.06 0.00 0.00 176.91 178.70 2jtc h ALA 121 N 1.64 0.76 0.34 6.32 0.00 -0.82 2.37 119.26 129.88 2jtc h ALA 121 Ca 0.57 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2jtc h ALA 121 Cb 0.96 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jtc h ALA 121 CO -0.35 0.54 -0.16 -0.44 0.00 0.00 0.00 179.25 178.84 2jtc h ASP 122 N 0.86 -0.39 0.18 0.00 3.32 0.31 0.39 116.42 121.09 2jtc h ASP 122 Ca 0.17 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2jtc h ASP 122 Cb 0.47 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2jtc h ASP 122 CO 0.02 -0.07 -0.09 0.58 -1.72 0.00 0.00 179.24 177.96 2jtc h VAL 123 N -0.73 0.89 -0.34 -1.35 2.07 0.32 1.35 116.25 118.47 2jtc h VAL 123 Ca -0.05 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2jtc h VAL 123 Cb 0.50 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 2jtc h VAL 123 CO 0.08 0.07 -0.17 1.23 0.02 0.00 0.00 177.57 178.80 2jtc h GLY 124 N -0.39 0.08 0.68 2.17 0.00 0.40 0.20 103.07 106.21 2jtc h GLY 124 Ca -0.02 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2jtc h GLY 124 CO 0.04 -0.18 -0.15 -2.22 0.00 0.00 0.00 176.54 174.03 2jtc h ILE 125 N -0.12 0.71 -1.12 2.60 2.04 -0.06 0.21 117.51 121.76 2jtc h ILE 125 Ca 0.17 -0.57 0.33 0.00 1.00 0.00 0.00 64.86 65.79 2jtc h ILE 125 Cb 0.38 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2jtc h ILE 125 CO -0.42 0.11 0.94 0.77 0.00 0.00 0.00 178.15 179.55 2jtc h SER 126 N -0.73 0.00 -0.94 1.72 4.64 0.25 1.45 113.55 119.93 2jtc h SER 126 Ca -0.04 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.77 2jtc h SER 126 Cb 0.49 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.29 2jtc h SER 126 CO 0.07 0.00 0.60 1.33 -0.87 0.00 0.00 176.83 177.96 2jtc n VAL 127 N -3.85 3.19 -4.21 0.95 0.24 0.63 -4.65 118.33 110.63 2jtc n VAL 127 Ca 0.24 -2.10 -0.36 0.00 -2.04 0.00 0.00 64.34 60.08 2jtc n VAL 127 Cb 1.30 -0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 33.09 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 -1.13 -2.32 -4.65 -1.34 9.92 0.50 -4.41 116.55 113.12 2jtc n ASP 128 Ca 0.58 -0.98 -0.47 0.00 -0.53 0.00 0.00 54.79 53.39 2jtc n ASP 128 Cb 1.53 -1.97 -0.04 0.00 -0.64 0.00 0.00 41.12 40.00 2jtc n ASP 128 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2jtc n MET 129 N -4.00 1.85 -2.50 -1.24 1.56 0.69 -4.77 117.12 108.71 2jtc n MET 129 Ca 0.09 0.66 -0.43 0.00 -0.27 0.00 0.00 57.70 57.76 2jtc n MET 129 Cb 0.47 -2.34 -0.02 0.00 2.15 0.00 0.00 33.22 33.47 2jtc n MET 129 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2jtc s ASP 130 N 0.52 7.01 -0.26 6.12 2.15 0.82 -4.88 116.67 128.15 2jtc s ASP 130 Ca 0.75 1.62 -0.09 0.00 0.43 0.00 0.00 52.55 55.26 2jtc s ASP 130 Cb -0.73 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.31 2jtc s ASP 130 CO 0.45 -0.71 0.12 -0.31 -0.17 0.00 0.00 175.17 174.55 2jtc s TYR 131 N 3.24 3.14 0.00 -5.34 2.02 -1.26 -2.03 117.35 117.12 2jtc s TYR 131 Ca 0.52 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 2jtc s TYR 131 Cb -0.20 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.07 2jtc s TYR 131 CO 0.13 -0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 2jtc n GLY 132 N 4.95 3.52 0.25 0.71 0.00 -1.26 -4.84 105.19 108.52 2jtc n GLY 132 Ca -0.15 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.76 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 0.12 -6.19 1.61 0.13 -1.90 -2.43 132.00 123.34 2jtc h PRO 133 Ca 0.00 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.44 2jtc h PRO 133 Cb 0.00 -0.02 -0.17 0.00 0.13 0.00 0.00 31.00 30.94 2jtc h PRO 133 CO 0.00 0.18 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.14 2jtc s SER 134 N -6.96 4.76 -0.26 1.44 0.01 -1.26 -3.93 113.70 107.49 2jtc s SER 134 Ca -0.05 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.18 2jtc s SER 134 Cb 0.16 -1.18 0.06 0.00 0.21 0.00 0.00 66.02 65.27 2jtc s SER 134 CO 0.70 0.32 -0.10 -0.44 0.41 0.00 0.00 173.24 174.12 2jtc s SER 135 N -1.18 4.43 -0.14 2.44 0.01 -1.26 -4.63 113.70 113.37 2jtc s SER 135 Ca 0.15 -1.36 -0.04 0.00 1.31 0.00 0.00 55.95 56.02 2jtc s SER 135 Cb -0.11 -1.56 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 2jtc s SER 135 CO 0.05 -0.19 -0.00 -0.83 0.41 0.00 0.00 173.24 172.68 2jtc s GLY 136 N 1.12 1.80 0.00 3.44 0.00 -0.86 -3.84 107.32 108.98 2jtc s GLY 136 Ca -0.08 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2jtc s GLY 136 CO -0.05 -0.21 0.00 -1.26 0.00 0.00 0.00 173.10 171.58 2jtc n SER 137 N 3.07 1.84 -0.08 1.64 2.88 -1.26 -0.12 113.62 121.59 2jtc n SER 137 Ca -0.18 -0.90 -0.09 0.00 -1.33 0.00 0.00 58.87 56.37 2jtc n SER 137 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.55 0.00 -1.46 0.00 -1.26 -3.05 120.51 112.29 2jtc n ALA 138 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2jtc n ALA 138 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 1.56 0.40 0.44 0.00 0.00 -1.26 -2.64 105.19 103.70 2jtc n GLY 139 Ca -0.14 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.66 -0.96 1.61 0.02 -1.93 2.22 113.55 112.85 2jtc h SER 140 Ca 0.00 0.20 0.26 0.00 -0.84 0.00 0.00 61.79 61.41 2jtc h SER 140 Cb 0.00 0.66 -0.13 0.00 0.14 0.00 0.00 62.40 63.06 2jtc h SER 140 CO 0.00 -0.44 0.50 0.77 -1.14 0.00 0.00 176.83 176.51 2jtc h SER 141 N -0.52 0.47 0.19 3.07 4.64 -1.97 1.19 113.55 120.62 2jtc h SER 141 Ca 0.04 0.16 -0.25 0.00 -0.47 0.00 0.00 61.79 61.27 2jtc h SER 141 Cb 0.63 0.12 0.03 0.00 -0.31 0.00 0.00 62.40 62.86 2jtc h SER 141 CO -0.44 -0.03 -1.12 0.03 -0.87 0.00 0.00 176.83 174.40 2jtc h ARG 142 N 0.42 0.40 0.54 4.77 2.47 -1.45 -2.96 114.38 118.56 2jtc h ARG 142 Ca 0.64 -0.68 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 2jtc h ARG 142 Cb 1.31 0.25 0.01 0.00 -1.65 0.00 0.00 29.97 29.89 2jtc h ARG 142 CO -0.55 1.33 -0.26 0.28 0.56 0.00 0.00 179.97 181.33 2jtc h VAL 143 N -0.15 0.08 -0.54 2.04 2.07 0.59 0.35 116.25 120.69 2jtc h VAL 143 Ca -0.20 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 66.95 2jtc h VAL 143 Cb 1.87 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2jtc h VAL 143 CO 0.20 0.02 0.37 0.06 0.02 0.00 0.00 177.57 178.24 2jtc h GLN 144 N -1.16 0.32 -0.00 1.57 -0.00 0.11 0.95 115.11 116.90 2jtc h GLN 144 Ca -0.07 -0.02 -0.16 0.00 -0.00 0.00 0.00 58.65 58.40 2jtc h GLN 144 Cb 0.59 -0.07 0.01 0.00 -0.00 0.00 0.00 27.48 28.01 2jtc h GLN 144 CO 0.12 0.21 -0.61 -0.09 -0.00 0.00 0.00 178.83 178.46 2jtc h ARG 145 N 0.32 0.42 -0.07 0.06 2.43 -1.47 -3.16 114.38 112.90 2jtc h ARG 145 Ca 0.25 -0.45 -0.12 0.00 -0.81 0.00 0.00 59.98 58.85 2jtc h ARG 145 Cb 0.56 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2jtc h ARG 145 CO -0.06 1.11 -0.51 0.00 -1.51 0.00 0.00 179.97 179.00 2jtc h ALA 146 N 0.32 1.00 -0.21 2.80 0.00 0.80 0.52 119.26 124.50 2jtc h ALA 146 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jtc h ALA 146 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2jtc h ALA 146 CO 0.12 0.66 0.13 -0.07 0.00 0.00 0.00 179.25 180.10 2jtc h LEU 147 N 0.15 0.24 0.00 0.00 3.38 0.85 -1.94 115.31 118.00 2jtc h LEU 147 Ca 0.00 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 2jtc h LEU 147 Cb 0.96 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2jtc h LEU 147 CO 0.08 0.19 -1.50 0.11 0.09 0.00 0.00 178.44 177.41 2jtc h LYS 148 N 0.27 0.00 0.07 1.13 1.57 -1.53 0.17 116.57 118.26 2jtc h LYS 148 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2jtc h LYS 148 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2jtc h LYS 148 CO -0.02 0.58 -0.04 0.93 -0.57 0.00 0.00 179.45 180.34 2jtc h GLU 149 N 0.00 -0.10 0.02 3.15 5.08 -0.83 -2.15 114.58 119.76 2jtc h GLU 149 Ca -0.21 0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 57.92 2jtc h GLU 149 Cb 1.91 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.15 2jtc h GLU 149 CO 0.09 -0.06 -1.19 -0.91 -1.00 0.00 0.00 179.01 175.93 2jtc h ASN 150 N -0.28 0.08 -0.01 1.42 4.21 -1.56 -3.34 115.58 116.10 2jtc h ASN 150 Ca -0.01 -0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.40 2jtc h ASN 150 Cb 0.08 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2jtc h ASN 150 CO 0.02 1.08 -0.54 0.49 -1.29 0.00 0.00 177.43 177.19 2jtc n PHE 151 N -3.33 0.00 -4.12 1.19 3.72 -0.90 -1.54 117.46 112.49 2jtc n PHE 151 Ca -0.05 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.01 2jtc n PHE 151 Cb 0.98 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.51 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 1.34 -0.46 3.69 1.37 0.00 -0.38 -4.61 105.19 106.15 2jtc n GLY 152 Ca 0.07 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.31 1.85 0.78 1.61 1.51 0.46 -4.88 117.35 115.37 2jtc s TYR 153 Ca 0.69 1.72 -0.16 0.00 -1.01 0.00 0.00 57.07 58.32 2jtc s TYR 153 Cb -0.37 -3.27 -0.06 0.00 -0.11 0.00 0.00 41.96 38.15 2jtc s TYR 153 CO 0.89 -2.59 0.16 -1.71 -1.11 0.00 0.00 175.55 171.20 2jtc n ASN 154 N -4.08 -2.62 0.26 2.29 5.15 0.62 -4.66 115.26 112.21 2jtc n ASN 154 Ca 0.11 0.48 0.14 0.00 -0.60 0.00 0.00 54.58 54.71 2jtc n ASN 154 Cb 0.52 -1.07 0.74 0.00 -0.53 0.00 0.00 39.78 39.44 2jtc n ASN 154 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 2jtc h GLN 155 N -0.64 0.00 0.00 1.20 5.75 -1.90 -1.14 115.11 118.38 2jtc h GLN 155 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2jtc h GLN 155 Cb 1.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.89 2jtc h GLN 155 CO 0.37 0.00 0.25 0.66 -2.65 0.00 0.00 178.83 177.46 2jtc h SER 156 N 0.00 0.00 -2.82 -0.69 4.64 -1.84 -3.40 113.55 109.45 2jtc h SER 156 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2jtc h SER 156 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 2jtc h SER 156 CO 0.00 0.00 0.98 -0.69 -0.87 0.00 0.00 176.83 176.25 2jtc s VAL 157 N -3.49 4.01 0.04 0.95 1.01 -0.43 -4.15 120.40 118.33 2jtc s VAL 157 Ca -0.02 1.21 -0.09 0.00 0.00 0.00 0.00 61.98 63.08 2jtc s VAL 157 Cb 0.05 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2jtc s VAL 157 CO 0.16 -0.14 0.20 -1.38 0.00 0.00 0.00 175.10 173.93 2jtc s HIS 158 N 3.85 0.06 -0.04 5.22 -3.43 -1.16 -4.96 115.29 114.83 2jtc s HIS 158 Ca 0.62 -0.30 -0.03 0.00 -0.80 0.00 0.00 55.06 54.55 2jtc s HIS 158 Cb -0.25 -0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 30.83 2jtc s HIS 158 CO 0.21 -0.44 0.12 -1.14 -2.00 0.00 0.00 174.74 171.49 2jtc s GLN 159 N -2.69 3.27 0.13 -0.38 0.74 -1.26 -1.85 119.66 117.61 2jtc s GLN 159 Ca -0.04 -0.34 0.06 0.00 0.05 0.00 0.00 55.36 55.10 2jtc s GLN 159 Cb -0.00 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.06 2jtc s GLN 159 CO -0.05 0.69 -0.15 0.96 -0.55 0.00 0.00 175.29 176.20 2jtc s ILE 160 N -1.17 1.44 -0.56 -2.34 -4.36 0.36 -4.92 121.20 109.65 2jtc s ILE 160 Ca 0.21 -1.72 -0.06 0.00 -0.26 0.00 0.00 60.65 58.83 2jtc s ILE 160 Cb -0.12 -1.57 0.15 0.00 1.25 0.00 0.00 42.46 42.17 2jtc s ILE 160 CO 0.12 -0.36 0.41 0.20 0.24 0.00 0.00 174.94 175.54 2jtc s ASN 161 N -2.42 5.55 0.57 4.36 0.01 -1.26 0.90 114.94 122.65 2jtc s ASN 161 Ca 0.09 -2.42 0.34 0.00 -0.71 0.00 0.00 52.86 50.16 2jtc s ASN 161 Cb -0.06 -1.93 1.40 0.00 0.41 0.00 0.00 41.25 41.07 2jtc s ASN 161 CO 0.04 -0.52 1.68 -0.09 -1.51 0.00 0.00 177.10 176.70 2jtc h ARG 162 N 7.71 0.00 0.00 -0.60 9.65 -0.39 1.47 114.38 132.22 2jtc h ARG 162 Ca -0.08 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 2jtc h ARG 162 Cb 1.01 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2jtc h ARG 162 CO 0.76 0.00 -0.12 0.78 2.80 0.00 0.00 179.97 184.18 2jtc h GLY 163 N 0.00 0.00 -1.87 2.80 0.00 -1.79 -2.62 103.07 99.59 2jtc h GLY 163 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2jtc h GLY 163 CO -0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.75 2jtc n ASP 164 N -3.46 3.06 -4.63 0.19 8.00 0.50 -4.98 116.55 115.24 2jtc n ASP 164 Ca -0.01 -1.90 -0.26 0.00 0.71 0.00 0.00 54.79 53.33 2jtc n ASP 164 Cb 0.28 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.11 2jtc n ASP 164 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jtc s PHE 165 N -1.36 2.52 -0.13 1.24 0.40 -0.99 -5.04 117.98 114.62 2jtc s PHE 165 Ca 0.31 -0.58 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 2jtc s PHE 165 Cb 0.18 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 2jtc s PHE 165 CO 0.26 0.43 0.18 -1.54 0.70 0.00 0.00 175.22 175.25 2jtc s SER 166 N -3.73 6.40 0.23 1.36 1.04 -1.26 -4.85 113.70 112.89 2jtc s SER 166 Ca 0.36 0.47 0.03 0.00 0.48 0.00 0.00 55.95 57.29 2jtc s SER 166 Cb 0.05 -2.10 0.61 0.00 0.10 0.00 0.00 66.02 64.68 2jtc s SER 166 CO 0.19 0.32 1.13 1.17 0.98 0.00 0.00 173.24 177.03 2jtc n LYS 167 N 2.45 -0.06 0.34 4.02 4.81 -1.26 0.19 118.16 128.65 2jtc n LYS 167 Ca -0.18 1.07 -0.13 0.00 -0.87 0.00 0.00 58.31 58.20 2jtc n LYS 167 Cb 0.54 -1.73 -0.06 0.00 0.02 0.00 0.00 35.03 33.80 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 -0.84 0.00 1.64 7.50 -1.99 0.17 115.11 121.58 2jtc h GLN 168 Ca 0.46 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.67 2jtc h GLN 168 Cb 1.00 0.19 0.00 0.00 0.05 0.00 0.00 27.48 28.72 2jtc h GLN 168 CO -0.66 -0.56 0.00 -0.44 -1.50 0.00 0.00 178.83 175.67 2jtc h ASP 169 N -1.01 0.00 -0.02 1.46 3.32 -1.08 -1.98 116.42 117.11 2jtc h ASP 169 Ca -0.09 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 2jtc h ASP 169 Cb 0.67 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.23 2jtc h ASP 169 CO 0.15 0.00 -0.57 -0.25 -1.72 0.00 0.00 179.24 176.84 2jtc h TRP 170 N 0.00 0.61 -0.14 4.55 2.91 0.25 -3.02 115.95 121.10 2jtc h TRP 170 Ca 0.00 -0.32 -0.02 0.00 1.13 0.00 0.00 58.89 59.68 2jtc h TRP 170 Cb 0.17 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 2jtc h TRP 170 CO 0.00 1.13 0.00 0.93 -1.03 0.00 0.00 178.44 179.47 2jtc h GLU 171 N -0.08 0.19 -0.51 2.65 5.08 0.05 -1.63 114.58 120.32 2jtc h GLU 171 Ca -0.07 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2jtc h GLU 171 Cb 1.27 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 2jtc h GLU 171 CO 0.11 0.21 0.23 0.00 -1.00 0.00 0.00 179.01 178.57 2jtc h ALA 172 N 1.82 0.65 -0.43 3.43 0.00 -1.31 2.23 119.26 125.66 2jtc h ALA 172 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jtc h ALA 172 Cb 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jtc h ALA 172 CO 0.00 -0.13 0.24 1.96 0.00 0.00 0.00 179.25 181.32 2jtc h GLN 173 N 0.45 0.59 0.00 0.00 1.08 -1.24 -0.88 115.11 115.11 2jtc h GLN 173 Ca 0.24 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 2jtc h GLN 173 Cb 0.19 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2jtc h GLN 173 CO -0.19 0.46 -0.19 0.82 -0.95 0.00 0.00 178.83 178.78 2jtc h ILE 174 N 0.56 1.58 0.27 2.54 2.04 -1.04 -2.94 117.51 120.51 2jtc h ILE 174 Ca 0.15 -1.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.06 2jtc h ILE 174 Cb 0.03 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2jtc h ILE 174 CO -0.03 0.53 -0.20 -0.78 0.00 0.00 0.00 178.15 177.67 2jtc h ASP 175 N -0.59 -0.52 -0.98 1.72 1.82 0.37 0.16 116.42 118.41 2jtc h ASP 175 Ca -0.02 0.04 0.20 0.00 -0.39 0.00 0.00 57.03 56.86 2jtc h ASP 175 Cb 0.96 0.17 -0.09 0.00 0.68 0.00 0.00 39.33 41.05 2jtc h ASP 175 CO 0.04 -0.31 0.62 0.50 -1.61 0.00 0.00 179.24 178.47 2jtc h LYS 176 N -0.47 0.60 0.13 0.28 3.64 -1.29 1.03 116.57 120.49 2jtc h LYS 176 Ca -0.02 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2jtc h LYS 176 Cb 0.41 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jtc h LYS 176 CO -0.00 0.40 -0.06 0.93 -2.27 0.00 0.00 179.45 178.44 2jtc h GLU 177 N 0.62 -0.17 0.00 1.90 4.39 -0.90 -2.21 114.58 118.21 2jtc h GLU 177 Ca 0.55 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.21 2jtc h GLU 177 Cb 1.04 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2jtc h GLU 177 CO -0.31 -0.07 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.18 2jtc h LEU 178 N -0.22 0.00 -1.19 1.33 3.38 0.22 0.26 115.31 119.09 2jtc h LEU 178 Ca -0.02 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.13 2jtc h LEU 178 Cb 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 2jtc h LEU 178 CO 0.03 0.23 0.61 0.77 0.09 0.00 0.00 178.44 180.16 2jtc h SER 179 N 0.00 0.68 -0.95 -0.43 4.64 0.16 0.92 113.55 118.56 2jtc h SER 179 Ca -0.00 0.07 -0.55 0.00 -0.47 0.00 0.00 61.79 60.83 2jtc h SER 179 Cb 0.63 -0.06 -0.29 0.00 -0.31 0.00 0.00 62.40 62.37 2jtc h SER 179 CO 0.03 0.28 0.65 0.00 -0.87 0.00 0.00 176.83 176.92 2jtc n GLN 180 N -4.65 2.40 -3.98 4.77 6.02 -1.03 -4.88 117.38 116.03 2jtc n GLN 180 Ca 0.21 -3.14 -0.27 0.00 -0.01 0.00 0.00 57.00 53.79 2jtc n GLN 180 Cb 0.57 -2.19 -0.02 0.00 1.02 0.00 0.00 30.24 29.61 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 -1.06 -0.67 -3.96 1.08 4.13 0.32 -4.92 115.26 110.17 2jtc n ASN 181 Ca 0.59 -1.05 -0.31 0.00 1.68 0.00 0.00 54.58 55.49 2jtc n ASN 181 Cb 1.29 -2.85 -0.15 0.00 -1.54 0.00 0.00 39.78 36.52 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2jtc s GLN 182 N -6.64 1.59 1.10 3.52 -0.21 0.90 -4.94 119.66 114.99 2jtc s GLN 182 Ca 0.06 -1.32 -0.12 0.00 0.02 0.00 0.00 55.36 53.99 2jtc s GLN 182 Cb -0.02 -2.75 0.25 0.00 1.00 0.00 0.00 33.01 31.49 2jtc s GLN 182 CO 0.90 -0.74 1.05 -1.25 -2.12 0.00 0.00 175.29 173.14 2jtc s PRO 183 N 1.23 -0.44 -0.05 2.91 0.04 -1.26 -2.36 135.00 135.06 2jtc s PRO 183 Ca 0.00 0.79 0.06 0.00 0.04 0.00 0.00 61.00 61.89 2jtc s PRO 183 Cb -0.19 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 2jtc s PRO 183 CO -0.09 -3.39 -0.23 0.08 0.04 0.00 0.00 177.00 173.41 2jtc s VAL 184 N -2.61 1.86 -0.28 -0.36 1.01 0.44 -4.47 120.40 115.99 2jtc s VAL 184 Ca 0.67 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2jtc s VAL 184 Cb -0.23 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2jtc s VAL 184 CO 0.62 0.52 0.84 -0.47 0.00 0.00 0.00 175.10 176.62 2jtc s TYR 185 N -0.13 3.24 0.13 5.22 6.14 -0.44 -0.69 117.35 130.82 2jtc s TYR 185 Ca -0.03 1.00 0.10 0.00 0.64 0.00 0.00 57.07 58.78 2jtc s TYR 185 Cb -0.13 -3.20 -0.04 0.00 0.42 0.00 0.00 41.96 39.01 2jtc s TYR 185 CO 0.03 -0.52 -0.24 -0.47 0.64 0.00 0.00 175.55 174.99 2jtc s TYR 186 N 2.99 2.08 -0.20 4.97 6.14 0.91 0.46 117.35 134.70 2jtc s TYR 186 Ca 0.35 -0.40 -0.08 0.00 0.64 0.00 0.00 57.07 57.59 2jtc s TYR 186 Cb -0.14 -1.11 0.09 0.00 0.42 0.00 0.00 41.96 41.21 2jtc s TYR 186 CO 0.11 0.31 0.43 1.14 0.64 0.00 0.00 175.55 178.18 2jtc s GLN 187 N -2.14 0.35 -0.40 4.97 -2.07 -0.98 0.64 119.66 120.03 2jtc s GLN 187 Ca 0.12 1.02 -0.21 0.00 -1.82 0.00 0.00 55.36 54.47 2jtc s GLN 187 Cb -0.09 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.13 2jtc s GLN 187 CO 0.06 -0.23 0.65 0.20 -1.32 0.00 0.00 175.29 174.65 2jtc s GLY 188 N 2.40 1.72 0.95 2.60 0.00 0.11 -2.91 107.32 112.19 2jtc s GLY 188 Ca -0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.56 2jtc s GLY 188 CO -0.13 1.54 1.09 0.14 0.00 0.00 0.00 173.10 175.73 2jtc s VAL 189 N 2.81 2.45 0.00 1.40 1.01 0.25 0.34 120.40 128.66 2jtc s VAL 189 Ca 0.24 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2jtc s VAL 189 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2jtc s VAL 189 CO 0.17 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2jtc n GLY 190 N -0.51 1.50 0.11 4.51 0.00 -0.87 -3.87 105.19 106.06 2jtc n GLY 190 Ca 0.07 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2jtc n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtc h LYS 191 N 0.00 0.20 -0.00 1.61 1.57 -1.88 -3.33 116.57 114.74 2jtc h LYS 191 Ca 0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2jtc h LYS 191 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2jtc h LYS 191 CO 0.00 1.01 -0.12 1.33 -0.57 0.00 0.00 179.45 181.10 2jtc n VAL 192 N -3.37 0.00 0.00 0.50 0.24 -1.26 -5.03 118.33 109.41 2jtc n VAL 192 Ca -0.21 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2jtc n VAL 192 Cb 1.05 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 2jtc n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jtc n GLY 193 N 1.47 0.58 3.61 7.63 0.00 -1.25 -4.55 105.19 112.68 2jtc n GLY 193 Ca 0.08 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 1.31 -0.60 -0.02 0.00 -1.08 -2.06 107.32 104.87 2jtc s GLY 194 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 44.72 44.14 2jtc s GLY 194 CO 0.00 2.46 1.74 -1.58 0.00 0.00 0.00 173.10 175.72 2jtc s HIS 195 N 4.46 1.81 0.37 1.90 2.46 0.15 -4.45 115.29 122.00 2jtc s HIS 195 Ca 0.50 0.64 -0.12 0.00 0.47 0.00 0.00 55.06 56.55 2jtc s HIS 195 Cb -0.10 -4.19 -0.07 0.00 -0.13 0.00 0.00 32.58 28.09 2jtc s HIS 195 CO 0.28 -2.29 0.75 0.00 -2.47 0.00 0.00 174.74 171.01 2jtc s ALA 196 N 8.21 3.35 0.14 1.58 0.00 -1.26 0.07 121.76 133.85 2jtc s ALA 196 Ca 0.63 -0.13 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 2jtc s ALA 196 Cb -0.13 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.35 2jtc s ALA 196 CO 0.21 0.12 0.79 -0.59 0.00 0.00 0.00 175.76 176.29 2jtc s PHE 197 N -2.23 -0.31 -0.06 0.00 -0.12 0.21 -2.76 117.98 112.71 2jtc s PHE 197 Ca 0.52 0.04 0.03 0.00 -0.05 0.00 0.00 56.93 57.47 2jtc s PHE 197 Cb -0.10 0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 2jtc s PHE 197 CO 0.27 -0.85 -0.13 0.08 -0.05 0.00 0.00 175.22 174.53 2jtc s VAL 198 N -3.50 3.13 -0.36 -2.49 1.01 -1.13 -0.06 120.40 116.99 2jtc s VAL 198 Ca 0.07 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 2jtc s VAL 198 Cb -0.02 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.13 2jtc s VAL 198 CO -0.04 0.59 0.21 -0.63 0.00 0.00 0.00 175.10 175.23 2jtc s ILE 199 N -0.64 4.74 -0.17 2.22 1.01 0.14 -0.25 121.20 128.25 2jtc s ILE 199 Ca 0.09 -0.69 0.14 0.00 0.00 0.00 0.00 60.65 60.20 2jtc s ILE 199 Cb -0.11 -3.58 0.43 0.00 0.01 0.00 0.00 42.46 39.20 2jtc s ILE 199 CO 0.01 -0.17 1.20 -0.90 0.00 0.00 0.00 174.94 175.08 2jtc n ASP 200 N 5.03 1.86 -3.70 3.58 5.68 -0.84 -0.42 116.55 127.74 2jtc n ASP 200 Ca -0.12 -3.40 -0.03 0.00 -0.50 0.00 0.00 54.79 50.75 2jtc n ASP 200 Cb 0.47 -0.46 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 2jtc n ASP 200 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2jtc s GLY 201 N -3.01 -0.29 -0.04 6.12 0.00 -1.24 0.24 107.32 109.09 2jtc s GLY 201 Ca 0.38 0.34 -0.25 0.00 0.00 0.00 0.00 44.72 45.19 2jtc s GLY 201 CO -0.08 0.06 0.56 0.00 0.00 0.00 0.00 173.10 173.64 2jtc s ALA 202 N -3.06 -1.44 -0.12 3.20 0.00 0.99 -1.98 121.76 119.35 2jtc s ALA 202 Ca 0.12 1.00 0.17 0.00 0.00 0.00 0.00 51.96 53.26 2jtc s ALA 202 Cb 0.00 -0.00 0.42 0.00 0.00 0.00 0.00 23.12 23.54 2jtc s ALA 202 CO -0.00 -0.33 1.20 -0.40 0.00 0.00 0.00 175.76 176.22 2jtc n ASP 203 N 1.08 1.40 -1.52 0.00 5.75 -0.43 0.24 116.55 123.08 2jtc n ASP 203 Ca -0.20 -3.08 -0.08 0.00 -0.01 0.00 0.00 54.79 51.42 2jtc n ASP 203 Cb 0.57 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jtc n GLY 204 N -0.43 0.51 0.86 6.12 0.00 0.21 -4.66 105.19 107.79 2jtc n GLY 204 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.81 0.36 -1.20 1.61 1.74 -1.26 -4.63 116.66 111.47 2jtc n ARG 205 Ca -0.09 -1.88 -0.07 0.00 -0.77 0.00 0.00 57.85 55.04 2jtc n ARG 205 Cb 0.34 -0.57 -0.03 0.00 -1.02 0.00 0.00 32.46 31.19 2jtc n ARG 205 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jtc n ASN 206 N -0.12 -3.96 -4.09 0.55 3.02 -1.26 -4.99 115.26 104.41 2jtc n ASN 206 Ca 0.07 0.17 -0.32 0.00 -0.03 0.00 0.00 54.58 54.46 2jtc n ASN 206 Cb 0.87 -2.06 -0.15 0.00 -0.61 0.00 0.00 39.78 37.83 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jtc s PHE 207 N -2.20 3.06 0.37 3.10 0.08 -1.26 -4.78 117.98 116.36 2jtc s PHE 207 Ca 0.00 -2.06 0.07 0.00 0.12 0.00 0.00 56.93 55.06 2jtc s PHE 207 Cb 0.00 -1.92 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2jtc s PHE 207 CO 0.00 -0.85 0.44 0.71 -0.10 0.00 0.00 175.22 175.42 2jtc s TYR 208 N 1.18 2.91 0.01 0.36 1.51 -1.26 -1.32 117.35 120.75 2jtc s TYR 208 Ca -0.04 -0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 55.53 2jtc s TYR 208 Cb -0.17 -2.09 -0.06 0.00 -0.11 0.00 0.00 41.96 39.53 2jtc s TYR 208 CO -0.08 -0.10 0.45 -1.58 -1.11 0.00 0.00 175.55 173.14 2jtc s HIS 209 N -2.31 3.74 -0.03 2.71 5.65 -0.84 -1.04 115.29 123.18 2jtc s HIS 209 Ca 0.47 1.06 0.03 0.00 0.25 0.00 0.00 55.06 56.88 2jtc s HIS 209 Cb -0.08 -2.36 0.00 0.00 -1.18 0.00 0.00 32.58 28.97 2jtc s HIS 209 CO 0.30 0.61 -0.11 0.08 -0.65 0.00 0.00 174.74 174.97 2jtc s VAL 210 N -1.00 0.92 -0.91 0.89 1.01 0.43 -1.98 120.40 119.75 2jtc s VAL 210 Ca 0.25 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2jtc s VAL 210 Cb -0.17 -0.81 0.27 0.00 0.00 0.00 0.00 36.38 35.66 2jtc s VAL 210 CO 0.15 0.28 1.05 -3.20 0.00 0.00 0.00 175.10 173.38 2jtc n ASN 211 N 3.21 4.99 -4.07 3.32 2.85 0.66 -0.35 115.26 125.87 2jtc n ASN 211 Ca -0.18 -3.32 -0.32 0.00 -0.11 0.00 0.00 54.58 50.65 2jtc n ASN 211 Cb 0.54 -1.05 0.10 0.00 1.24 0.00 0.00 39.78 40.62 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 1.56 -1.43 1.07 1.20 7.02 -1.26 -2.84 117.44 122.76 2jtc n TRP 212 Ca 0.26 0.38 0.09 0.00 -1.02 0.00 0.00 57.50 57.21 2jtc n TRP 212 Cb 0.37 -1.46 0.53 0.00 -2.42 0.00 0.00 31.31 28.33 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 2.75 -0.73 3.87 6.99 0.00 -1.11 -4.73 105.19 112.23 2jtc n GLY 213 Ca -0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2jtc n GLY 213 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jtc s TRP 214 N -2.24 2.71 0.00 1.61 0.52 -1.26 -4.74 118.94 115.53 2jtc s TRP 214 Ca 0.24 -0.49 0.00 0.00 0.02 0.00 0.00 56.10 55.87 2jtc s TRP 214 Cb 0.13 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 30.28 2jtc s TRP 214 CO 0.25 -0.12 0.65 0.41 0.02 0.00 0.00 176.95 178.16 2jtc n GLY 215 N -1.54 0.39 0.11 0.98 0.00 -1.26 -4.66 105.19 99.21 2jtc n GLY 215 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.20 0.57 0.00 -0.02 0.00 -1.26 -4.96 105.19 99.32 2jtc n GLY 216 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2jtc n GLY 216 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jtc n VAL 217 N -0.36 0.00 -0.48 1.61 3.14 -1.26 -4.91 118.33 116.08 2jtc n VAL 217 Ca 0.02 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.27 2jtc n VAL 217 Cb 0.49 -0.22 -0.02 0.00 -1.06 0.00 0.00 33.84 33.04 2jtc n VAL 217 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jtc n SER 218 N 0.00 3.16 -4.51 6.55 7.64 -1.26 -4.82 113.62 120.39 2jtc n SER 218 Ca 0.00 -2.18 -0.42 0.00 1.01 0.00 0.00 58.87 57.28 2jtc n SER 218 Cb 0.00 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 2jtc n SER 218 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jtc s ASP 219 N 3.80 6.18 0.00 6.43 1.01 -1.26 -4.66 116.67 128.16 2jtc s ASP 219 Ca 0.26 -0.74 0.00 0.00 0.71 0.00 0.00 52.55 52.78 2jtc s ASP 219 Cb 0.07 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.51 2jtc s ASP 219 CO -0.02 -1.65 0.00 0.61 0.21 0.00 0.00 175.17 174.32 2jtc n GLY 220 N 5.40 -0.26 3.56 0.21 0.00 0.53 -4.93 105.19 109.70 2jtc n GLY 220 Ca 0.01 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 1.34 -0.04 1.61 0.08 -1.26 0.16 117.98 115.88 2jtc s PHE 221 Ca 0.00 1.60 0.01 0.00 0.12 0.00 0.00 56.93 58.66 2jtc s PHE 221 Cb 0.00 -3.61 0.02 0.00 -0.57 0.00 0.00 43.02 38.87 2jtc s PHE 221 CO 0.00 -1.57 -0.02 -0.06 -0.10 0.00 0.00 175.22 173.47 2jtc s PHE 222 N 13.53 0.47 -0.83 0.36 0.40 -0.21 -4.86 117.98 126.85 2jtc s PHE 222 Ca 0.85 -0.07 0.07 0.00 -0.60 0.00 0.00 56.93 57.18 2jtc s PHE 222 Cb -0.11 -0.51 0.38 0.00 0.51 0.00 0.00 43.02 43.29 2jtc s PHE 222 CO 0.06 -0.15 1.11 -2.13 0.70 0.00 0.00 175.22 174.80 2jtc n ARG 223 N 4.12 2.70 -0.25 0.44 0.00 -1.26 -4.47 116.66 117.93 2jtc n ARG 223 Ca -0.26 -1.45 0.00 0.00 -0.00 0.00 0.00 57.85 56.15 2jtc n ARG 223 Cb 0.50 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 31.18 2jtc n ARG 223 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2jtc n LEU 224 N 0.32 3.29 -0.01 6.15 7.99 -1.26 -3.75 117.00 129.73 2jtc n LEU 224 Ca 0.13 -1.51 0.13 0.00 -0.01 0.00 0.00 56.01 54.74 2jtc n LEU 224 Cb 0.64 -0.67 0.40 0.00 -0.11 0.00 0.00 43.42 43.68 2jtc n LEU 224 CO 0.14 0.61 0.65 0.47 -1.51 0.00 0.00 177.39 177.76 2jtc n ASP 225 N 1.38 0.35 -0.03 -1.43 9.92 -1.26 -4.28 116.55 121.19 2jtc n ASP 225 Ca 0.00 -0.04 -0.02 0.00 -0.53 0.00 0.00 54.79 54.21 2jtc n ASP 225 Cb 0.35 -0.02 -0.01 0.00 -0.64 0.00 0.00 41.12 40.80 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jtc h ALA 226 N 3.06 0.00 -3.00 2.24 0.00 -1.98 -3.46 119.26 116.12 2jtc h ALA 226 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jtc h ALA 226 Cb 0.49 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jtc h ALA 226 CO 0.00 0.20 0.00 1.47 0.00 0.00 0.00 179.25 180.92 2jtc n LEU 227 N -3.34 0.00 -4.91 0.00 -0.00 -1.26 -4.88 117.00 102.61 2jtc n LEU 227 Ca -0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.70 2jtc n LEU 227 Cb 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.49 2jtc n LEU 227 CO 0.04 0.00 0.19 0.54 -0.00 0.00 0.00 177.39 178.16 2jtc s ASN 228 N -1.00 6.43 0.14 1.45 4.22 -1.26 -4.95 114.94 119.97 2jtc s ASN 228 Ca 0.00 0.68 0.00 0.00 -2.14 0.00 0.00 52.86 51.40 2jtc s ASN 228 Cb 0.00 -2.13 0.00 0.00 1.28 0.00 0.00 41.25 40.40 2jtc s ASN 228 CO 0.00 -0.20 0.00 -0.81 -2.04 0.00 0.00 177.10 174.05 2jtc n PRO 229 N -0.99 0.84 -0.34 3.55 -0.04 -1.26 -4.95 135.00 131.81 2jtc n PRO 229 Ca -0.02 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.53 2jtc n PRO 229 Cb 0.54 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.27 2jtc n PRO 229 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jtc n SER 230 N -0.42 3.31 -3.84 3.54 7.64 -1.26 -4.55 113.62 118.05 2jtc n SER 230 Ca 0.00 -2.08 -0.40 0.00 1.01 0.00 0.00 58.87 57.40 2jtc n SER 230 Cb 0.00 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jtc n ALA 231 N 1.15 5.18 0.07 -0.43 0.00 -1.26 -4.72 120.51 120.50 2jtc n ALA 231 Ca 0.20 -4.77 -0.01 0.00 0.00 0.00 0.00 53.44 48.86 2jtc n ALA 231 Cb 0.55 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 2jtc n ALA 231 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jtc h LEU 232 N 5.00 0.00 -0.27 0.00 4.07 -1.95 -3.50 115.31 118.66 2jtc h LEU 232 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 2jtc h LEU 232 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 2jtc h LEU 232 CO 1.24 0.63 -0.26 0.61 -1.08 0.00 0.00 178.44 179.57 2jtc n GLY 233 N 1.34 -3.38 0.13 0.83 0.00 -1.26 -3.87 105.19 98.98 2jtc n GLY 233 Ca -0.05 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.19 1.54 -0.09 2.61 -1.04 -1.26 -4.58 114.28 110.28 2jtc n THR 234 Ca 0.00 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.05 61.43 2jtc n THR 234 Cb 0.03 -1.67 -0.04 0.00 -1.82 0.00 0.00 70.33 66.83 2jtc n THR 234 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jtc n GLY 235 N 1.81 -0.77 3.42 3.41 0.00 -1.26 -4.70 105.19 107.10 2jtc n GLY 235 Ca -0.46 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 2jtc n GLY 235 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 236 N -4.66 2.11 0.00 -0.02 0.00 -1.26 -4.77 107.32 98.73 2jtc s GLY 236 Ca -0.23 -2.90 0.00 0.00 0.00 0.00 0.00 44.72 41.58 2jtc s GLY 236 CO 0.36 1.82 0.00 0.61 0.00 0.00 0.00 173.10 175.90 2jtc n GLY 237 N 5.11 3.12 1.86 0.20 0.00 -1.26 -4.62 105.19 109.60 2jtc n GLY 237 Ca 0.21 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 2jtc n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc n ALA 238 N 0.00 4.87 -3.23 4.61 0.00 -1.26 -4.41 120.51 121.10 2jtc n ALA 238 Ca 0.00 -1.86 -0.19 0.00 0.00 0.00 0.00 53.44 51.39 2jtc n ALA 238 Cb 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.11 2jtc n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtc n GLY 239 N -0.16 -0.61 1.36 0.00 0.00 -1.25 -4.94 105.19 99.58 2jtc n GLY 239 Ca 0.36 0.78 -0.11 0.00 0.00 0.00 0.00 46.02 47.04 2jtc n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 240 N 0.31 -2.25 3.58 -0.02 0.00 -1.26 -4.92 105.19 100.63 2jtc n GLY 240 Ca -0.02 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 2jtc n GLY 240 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jtc s PHE 241 N -1.83 2.25 -1.17 1.61 -0.12 -1.26 -4.83 117.98 112.63 2jtc s PHE 241 Ca 0.27 -0.82 -0.09 0.00 -0.05 0.00 0.00 56.93 56.25 2jtc s PHE 241 Cb -0.02 -1.59 0.24 0.00 -0.63 0.00 0.00 43.02 41.02 2jtc s PHE 241 CO 0.20 0.26 1.43 -1.71 -0.05 0.00 0.00 175.22 175.35 2jtc n ASN 242 N -0.94 5.58 0.02 1.98 4.05 -1.25 -3.10 115.26 121.59 2jtc n ASN 242 Ca -0.06 -3.12 -0.18 0.00 0.45 0.00 0.00 54.58 51.67 2jtc n ASN 242 Cb 0.67 -1.42 -0.14 0.00 1.23 0.00 0.00 39.78 40.12 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 7.40 0.27 -3.32 8.20 0.00 -1.93 -3.47 103.07 110.22 2jtc h GLY 243 Ca 0.26 -0.65 -0.24 0.00 0.00 0.00 0.00 47.33 46.70 2jtc h GLY 243 CO 1.26 0.57 -0.71 -0.19 0.00 0.00 0.00 176.54 177.48 2jtc s TYR 244 N -2.51 0.89 -0.11 5.60 2.02 -1.26 -5.00 117.35 116.98 2jtc s TYR 244 Ca -0.15 -0.83 -0.17 0.00 -0.37 0.00 0.00 57.07 55.56 2jtc s TYR 244 Cb 0.00 -0.51 0.04 0.00 -0.40 0.00 0.00 41.96 41.09 2jtc s TYR 244 CO 0.80 -0.12 0.43 1.14 -1.57 0.00 0.00 175.55 176.23 2jtc s GLN 245 N -3.42 0.61 0.01 -0.62 -2.07 -1.26 -0.58 119.66 112.32 2jtc s GLN 245 Ca 0.08 0.37 -0.23 0.00 -1.82 0.00 0.00 55.36 53.76 2jtc s GLN 245 Cb 0.02 0.29 0.05 0.00 -1.09 0.00 0.00 33.01 32.28 2jtc s GLN 245 CO -0.03 -0.12 0.52 -1.54 -1.32 0.00 0.00 175.29 172.80 2jtc s SER 246 N -0.32 -0.45 0.25 12.60 1.04 -1.15 0.39 113.70 126.07 2jtc s SER 246 Ca -0.05 0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.72 2jtc s SER 246 Cb -0.03 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 2jtc s SER 246 CO 0.02 -0.63 0.04 0.00 0.98 0.00 0.00 173.24 173.66 2jtc s ALA 247 N -1.85 1.83 -0.23 5.32 0.00 0.26 -2.32 121.76 124.77 2jtc s ALA 247 Ca -0.09 -1.84 -0.00 0.00 0.00 0.00 0.00 51.96 50.04 2jtc s ALA 247 Cb -0.01 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.85 2jtc s ALA 247 CO 0.03 -0.34 -0.12 0.08 0.00 0.00 0.00 175.76 175.41 2jtc s VAL 248 N -3.54 2.51 0.06 0.00 1.01 0.17 0.13 120.40 120.75 2jtc s VAL 248 Ca 0.33 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2jtc s VAL 248 Cb 0.07 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2jtc s VAL 248 CO 0.11 0.29 -0.21 0.68 0.00 0.00 0.00 175.10 175.97 2jtc s VAL 249 N 1.28 2.56 0.00 2.92 -7.23 -0.77 -1.33 120.40 117.83 2jtc s VAL 249 Ca 0.01 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 2jtc s VAL 249 Cb -0.16 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2jtc s VAL 249 CO -0.07 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 2jtc n GLY 250 N 1.51 0.51 3.34 2.32 0.00 -1.26 -2.97 105.19 108.65 2jtc n GLY 250 Ca -0.16 -0.25 -0.47 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.05 5.57 -0.04 -0.61 1.01 -1.26 -1.34 121.20 122.47 2jtc s ILE 251 Ca 0.00 -2.49 -0.30 0.00 0.00 0.00 0.00 60.65 57.86 2jtc s ILE 251 Cb 0.00 -4.51 0.07 0.00 0.01 0.00 0.00 42.46 38.03 2jtc s ILE 251 CO 0.00 -1.09 0.69 -1.59 0.00 0.00 0.00 174.94 172.95 2jtc s LYS 252 N 0.26 1.06 0.00 2.79 -2.85 -1.26 -4.92 119.74 114.82 2jtc s LYS 252 Ca 0.21 0.20 0.25 0.00 -1.00 0.00 0.00 55.97 55.63 2jtc s LYS 252 Cb -0.09 0.50 1.51 0.00 -2.06 0.00 0.00 37.83 37.68 2jtc s LYS 252 CO -0.09 -0.34 1.86 -0.35 0.10 0.00 0.00 175.35 176.54