#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 4.45 0.27 3.69 0.04 -1.26 -4.45 135.00 137.75 2jtc s PRO 2 Ca 0.00 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 2jtc s PRO 2 Cb 0.00 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 2jtc s PRO 2 CO 0.00 0.15 0.89 0.08 0.04 0.00 0.00 177.00 178.16 2jtc s VAL 3 N -1.67 4.24 -0.02 -0.36 1.01 -1.26 -4.13 120.40 118.22 2jtc s VAL 3 Ca 0.53 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.31 2jtc s VAL 3 Cb -0.19 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.14 2jtc s VAL 3 CO 0.24 0.27 0.02 -0.69 0.00 0.00 0.00 175.10 174.94 2jtc s VAL 4 N -1.46 0.01 0.82 2.92 1.01 0.51 -4.82 120.40 119.38 2jtc s VAL 4 Ca 0.46 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 2jtc s VAL 4 Cb -0.20 -0.11 0.19 0.00 0.00 0.00 0.00 36.38 36.25 2jtc s VAL 4 CO 0.25 0.09 0.95 0.29 0.00 0.00 0.00 175.10 176.68 2jtc n LYS 5 N 4.00 -1.60 -2.47 2.72 4.76 -1.26 0.15 118.16 124.45 2jtc n LYS 5 Ca -0.25 -1.48 -0.42 0.00 -2.87 0.00 0.00 58.31 53.29 2jtc n LYS 5 Cb 0.52 -1.12 -0.03 0.00 -1.84 0.00 0.00 35.03 32.56 2jtc n LYS 5 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jtc s SER 6 N -4.35 6.22 0.10 4.39 0.15 -1.20 -3.38 113.70 115.63 2jtc s SER 6 Ca 0.56 0.09 -0.26 0.00 0.70 0.00 0.00 55.95 57.04 2jtc s SER 6 Cb -0.03 -2.55 -0.12 0.00 -1.71 0.00 0.00 66.02 61.61 2jtc s SER 6 CO 0.41 -1.68 1.68 -0.07 1.20 0.00 0.00 173.24 174.78 2jtc h LEU 7 N 12.78 -0.44 -1.00 3.45 3.38 0.33 0.46 115.31 134.27 2jtc h LEU 7 Ca -0.26 0.04 0.12 0.00 0.09 0.00 0.00 57.88 57.87 2jtc h LEU 7 Cb 1.07 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.89 2jtc h LEU 7 CO 1.20 -0.25 0.63 -0.07 0.09 0.00 0.00 178.44 180.04 2jtc h LEU 8 N -0.35 0.92 -0.37 1.67 3.38 -1.90 -0.44 115.31 118.22 2jtc h LEU 8 Ca 0.01 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2jtc h LEU 8 Cb 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jtc h LEU 8 CO -0.05 0.48 -0.15 -0.78 0.09 0.00 0.00 178.44 178.03 2jtc h ASP 9 N 0.98 0.77 0.00 -0.43 3.58 -1.55 0.52 116.42 120.29 2jtc h ASP 9 Ca 0.50 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2jtc h ASP 9 Cb 0.51 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2jtc h ASP 9 CO -0.27 0.99 0.06 -1.54 -2.88 0.00 0.00 179.24 175.60 2jtc n SER 10 N -4.31 0.52 -0.53 2.28 3.41 0.15 0.28 113.62 115.41 2jtc n SER 10 Ca -0.02 0.72 0.07 0.00 -0.26 0.00 0.00 58.87 59.39 2jtc n SER 10 Cb 0.39 -0.77 0.19 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.21 1.89 -3.14 4.33 5.02 -0.78 -4.93 118.16 118.33 2jtc n LYS 11 Ca -0.01 -2.83 -0.16 0.00 -2.02 0.00 0.00 58.31 53.28 2jtc n LYS 11 Cb 0.09 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.42 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 -1.08 -0.48 3.55 0.72 0.00 0.14 -4.70 105.19 103.35 2jtc n GLY 12 Ca 0.20 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.58 4.49 -0.48 -0.61 1.01 0.17 -2.31 121.20 120.90 2jtc s ILE 13 Ca 0.28 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.60 2jtc s ILE 13 Cb -0.15 -4.43 0.19 0.00 0.01 0.00 0.00 42.46 38.07 2jtc s ILE 13 CO 0.34 -0.86 0.43 1.41 0.00 0.00 0.00 174.94 176.27 2jtc n HIS 14 N 7.13 0.29 -2.21 3.97 8.25 0.76 -4.52 115.22 128.89 2jtc n HIS 14 Ca 0.05 -3.60 -0.27 0.00 -0.26 0.00 0.00 57.72 53.63 2jtc n HIS 14 Cb 0.48 -0.08 0.14 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.64 1.73 0.00 4.41 1.51 -1.25 -3.80 117.35 119.31 2jtc s TYR 15 Ca 0.32 0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 2jtc s TYR 15 Cb 0.06 -3.59 0.00 0.00 -0.11 0.00 0.00 41.96 38.32 2jtc s TYR 15 CO -0.16 -2.16 0.00 0.09 -1.11 0.00 0.00 175.55 172.20 2jtc n ASN 16 N -3.32 0.00 0.00 2.29 3.02 -1.26 -5.01 115.26 110.98 2jtc n ASN 16 Ca 0.14 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2jtc n ASN 16 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jtc n GLN 17 N 0.00 1.54 -0.03 3.52 6.02 -1.26 -4.70 117.38 122.47 2jtc n GLN 17 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2jtc n GLN 17 Cb 0.00 -0.88 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 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 1.92 -0.16 0.00 1.08 0.00 -1.26 -0.53 105.19 106.24 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 -2.40 0.00 0.00 1.61 4.05 -1.26 -3.50 115.26 113.75 2jtc n ASN 19 Ca -0.09 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.02 2jtc n ASN 19 Cb 0.63 0.00 0.44 0.00 1.23 0.00 0.00 39.78 42.09 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 0.71 0.08 1.20 -0.04 -1.26 -2.60 135.00 133.08 2jtc n PRO 20 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2jtc n PRO 20 Cb 0.00 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.00 0.14 -0.40 0.54 -1.99 -1.88 -3.15 116.97 110.23 2jtc h TYR 21 Ca 0.00 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.64 2jtc h TYR 21 Cb 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 2jtc h TYR 21 CO 0.00 1.02 0.00 0.27 -0.00 0.00 0.00 178.16 179.45 2jtc n ASN 22 N -3.46 4.30 0.00 3.88 6.94 -1.07 -4.14 115.26 121.71 2jtc n ASN 22 Ca -0.02 -2.64 0.11 0.00 -0.02 0.00 0.00 54.58 52.01 2jtc n ASN 22 Cb 0.91 -0.63 0.62 0.00 -2.36 0.00 0.00 39.78 38.32 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 0.45 0.00 0.00 -4.53 4.77 -1.19 -2.92 117.00 113.58 2jtc n LEU 23 Ca 0.19 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2jtc n LEU 23 Cb 0.91 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 2jtc n LEU 23 CO 0.23 -0.04 0.12 0.18 -1.33 0.00 0.00 177.39 176.55 2jtc n LEU 24 N -1.15 0.49 -4.64 2.23 4.77 -1.26 -5.00 117.00 112.43 2jtc n LEU 24 Ca 0.14 -0.51 -0.29 0.00 -0.03 0.00 0.00 56.01 55.31 2jtc n LEU 24 Cb 0.13 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.40 2jtc n LEU 24 CO 0.15 0.12 0.63 0.42 -1.33 0.00 0.00 177.39 177.38 2jtc s THR 25 N -0.05 2.33 0.33 -5.08 -4.23 -1.15 -4.85 115.64 102.94 2jtc s THR 25 Ca 0.00 0.11 -0.28 0.00 -1.18 0.00 0.00 61.69 60.34 2jtc s THR 25 Cb 0.00 -2.41 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 2jtc s THR 25 CO 0.00 -0.14 1.17 -2.16 -0.54 0.00 0.00 174.62 172.95 2jtc s PRO 26 N -4.77 4.38 0.37 3.99 0.04 -1.26 -4.65 135.00 133.11 2jtc s PRO 26 Ca 0.65 1.91 -0.24 0.00 0.04 0.00 0.00 61.00 63.37 2jtc s PRO 26 Cb -0.21 -2.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.24 2jtc s PRO 26 CO 0.59 -0.05 0.95 0.08 0.04 0.00 0.00 177.00 178.60 2jtc s VAL 27 N -1.25 4.30 0.42 -0.36 1.01 -1.26 -0.98 120.40 122.28 2jtc s VAL 27 Ca 0.50 1.67 -0.22 0.00 0.00 0.00 0.00 61.98 63.92 2jtc s VAL 27 Cb -0.33 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 2jtc s VAL 27 CO 0.43 -0.08 0.99 -0.63 0.00 0.00 0.00 175.10 175.81 2jtc s ILE 28 N -1.88 4.09 0.00 2.22 1.01 0.12 -4.84 121.20 121.92 2jtc s ILE 28 Ca 0.56 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.62 2jtc s ILE 28 Cb -0.14 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2jtc s ILE 28 CO 0.19 -0.17 0.00 -0.62 0.00 0.00 0.00 174.94 174.33 2jtc n GLU 29 N -0.45 1.89 -4.52 2.79 -0.58 0.24 0.38 120.64 120.39 2jtc n GLU 29 Ca 0.06 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.56 2jtc n GLU 29 Cb 0.52 -0.86 -0.11 0.00 -0.57 0.00 0.00 31.44 30.43 2jtc n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2jtc s LYS 30 N -1.47 1.76 0.12 3.49 1.02 0.35 -4.79 119.74 120.22 2jtc s LYS 30 Ca 0.00 -1.94 0.08 0.00 0.02 0.00 0.00 55.97 54.13 2jtc s LYS 30 Cb 0.00 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.86 2jtc s LYS 30 CO 0.00 0.01 -0.14 0.08 -0.92 0.00 0.00 175.35 174.39 2jtc s VAL 31 N -2.85 3.11 0.75 3.17 1.01 -1.07 -4.21 120.40 120.31 2jtc s VAL 31 Ca 0.33 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 2jtc s VAL 31 Cb 0.06 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 34.03 2jtc s VAL 31 CO 0.15 0.08 1.08 -0.75 0.00 0.00 0.00 175.10 175.67 2jtc s LYS 32 N -2.25 2.48 -0.18 2.72 2.20 -1.25 -4.76 119.74 118.70 2jtc s LYS 32 Ca 0.20 0.71 -0.28 0.00 -0.36 0.00 0.00 55.97 56.25 2jtc s LYS 32 Cb -0.11 -1.96 -0.00 0.00 -1.51 0.00 0.00 37.83 34.25 2jtc s LYS 32 CO 0.12 -1.36 0.96 -1.25 -0.36 0.00 0.00 175.35 173.46 2jtc s PRO 33 N -5.15 4.31 -0.02 4.03 0.04 -1.26 -3.14 135.00 133.80 2jtc s PRO 33 Ca 0.59 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2jtc s PRO 33 Cb -0.14 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2jtc s PRO 33 CO 0.54 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.53 2jtc n GLY 34 N 3.34 0.44 3.68 0.56 0.00 -1.26 -5.01 105.19 106.93 2jtc n GLY 34 Ca 0.09 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.39 2.10 1.13 1.61 2.12 -1.19 -5.13 118.70 118.96 2jtc s GLU 35 Ca 0.00 -1.94 -0.15 0.00 0.36 0.00 0.00 54.97 53.25 2jtc s GLU 35 Cb 0.00 -1.84 0.25 0.00 0.26 0.00 0.00 34.13 32.80 2jtc s GLU 35 CO 0.00 -0.06 1.06 -0.65 -0.54 0.00 0.00 175.26 175.07 2jtc s GLN 36 N -3.80 -0.60 -0.01 4.30 1.11 -1.26 -4.70 119.66 114.69 2jtc s GLN 36 Ca 0.38 0.44 -0.23 0.00 0.01 0.00 0.00 55.36 55.96 2jtc s GLN 36 Cb 0.06 -1.62 -0.05 0.00 -1.01 0.00 0.00 33.01 30.39 2jtc s GLN 36 CO 0.20 -3.41 0.68 0.45 0.01 0.00 0.00 175.29 173.22 2jtc s SER 37 N -3.26 7.05 -0.06 5.90 0.15 -1.26 -4.33 113.70 117.89 2jtc s SER 37 Ca 0.68 1.25 0.09 0.00 0.70 0.00 0.00 55.95 58.67 2jtc s SER 37 Cb -0.18 -2.41 0.14 0.00 -1.71 0.00 0.00 66.02 61.86 2jtc s SER 37 CO 0.59 0.01 1.04 0.49 1.20 0.00 0.00 173.24 176.57 2jtc n PHE 38 N 3.08 0.00 -1.92 3.44 3.72 -1.26 -5.01 117.46 119.51 2jtc n PHE 38 Ca -0.04 -0.65 -0.41 0.00 -0.05 0.00 0.00 57.45 56.30 2jtc n PHE 38 Cb 0.51 -0.09 -0.02 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 -1.73 2.38 0.00 -4.37 1.01 -1.26 -1.05 120.40 115.39 2jtc s VAL 39 Ca 0.15 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2jtc s VAL 39 Cb 0.14 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2jtc s VAL 39 CO 0.01 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2jtc n GLY 40 N 1.61 1.46 3.73 4.51 0.00 0.16 -4.90 105.19 111.76 2jtc n GLY 40 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.13 4.52 -0.39 1.61 -0.21 -0.21 -4.69 119.66 120.17 2jtc s GLN 41 Ca 0.00 1.13 -0.29 0.00 0.02 0.00 0.00 55.36 56.23 2jtc s GLN 41 Cb 0.00 -3.40 0.00 0.00 1.00 0.00 0.00 33.01 30.62 2jtc s GLN 41 CO 0.00 0.18 1.48 -1.01 -2.12 0.00 0.00 175.29 173.82 2jtc s HIS 42 N 0.29 2.29 0.93 0.91 3.76 -1.26 0.13 115.29 122.35 2jtc s HIS 42 Ca 0.41 0.66 -0.13 0.00 -0.15 0.00 0.00 55.06 55.86 2jtc s HIS 42 Cb -0.20 -4.26 0.03 0.00 1.11 0.00 0.00 32.58 29.26 2jtc s HIS 42 CO 0.24 -2.17 0.43 0.00 -0.85 0.00 0.00 174.74 172.39 2jtc n ALA 43 N 9.03 -2.46 -1.82 -1.40 0.00 -0.15 -4.88 120.51 118.84 2jtc n ALA 43 Ca 0.18 -0.57 -0.29 0.00 0.00 0.00 0.00 53.44 52.75 2jtc n ALA 43 Cb 0.48 -1.81 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 -2.35 2.35 0.07 0.00 0.00 -0.86 -4.64 121.76 116.32 2jtc s ALA 44 Ca 0.58 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 2jtc s ALA 44 Cb -0.22 -2.94 -0.28 0.00 0.00 0.00 0.00 23.12 19.68 2jtc s ALA 44 CO 0.66 -1.99 1.10 1.79 0.00 0.00 0.00 175.76 177.32 2jtc h THR 45 N -1.30 1.46 0.00 0.00 1.35 -1.13 -3.42 112.91 109.87 2jtc h THR 45 Ca -0.46 -3.05 0.00 0.00 -0.55 0.00 0.00 66.41 62.35 2jtc h THR 45 Cb 1.31 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.63 2jtc h THR 45 CO 0.59 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 177.35 2jtc n GLY 46 N 1.54 2.45 0.17 5.82 0.00 -1.24 -4.40 105.19 109.53 2jtc n GLY 46 Ca -0.09 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 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 0.01 -0.53 1.61 4.64 -1.87 0.14 113.55 117.54 2jtc h SER 47 Ca 0.00 0.07 0.10 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 0.04 -0.30 0.58 -0.87 0.00 0.00 176.83 176.28 2jtc h VAL 48 N 0.20 0.23 -0.16 0.95 2.07 -1.80 1.77 116.25 119.50 2jtc h VAL 48 Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 2jtc h VAL 48 Cb 0.22 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2jtc h VAL 48 CO -0.25 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.40 2jtc h ALA 49 N 1.02 0.21 -0.04 1.67 0.00 -1.47 -1.80 119.26 118.87 2jtc h ALA 49 Ca 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2jtc h ALA 49 Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jtc h ALA 49 CO -0.62 -0.19 -0.12 1.15 0.00 0.00 0.00 179.25 179.46 2jtc h THR 50 N 0.10 1.11 -0.18 0.00 2.02 0.88 1.26 112.91 118.10 2jtc h THR 50 Ca 0.05 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 2jtc h THR 50 Cb 0.19 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2jtc h THR 50 CO -0.00 0.15 -0.05 0.00 0.37 0.00 0.00 175.52 175.99 2jtc h ALA 51 N 1.82 0.24 0.00 6.16 0.00 0.31 -2.51 119.26 125.29 2jtc h ALA 51 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2jtc h ALA 51 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jtc h ALA 51 CO 0.02 0.01 -0.05 1.15 0.00 0.00 0.00 179.25 180.38 2jtc h THR 52 N 0.05 1.63 -0.94 0.00 2.02 -0.64 -2.90 112.91 112.12 2jtc h THR 52 Ca 0.04 -1.92 0.23 0.00 0.77 0.00 0.00 66.41 65.53 2jtc h THR 52 Cb 0.49 2.92 -0.07 0.00 -1.74 0.00 0.00 68.15 69.75 2jtc h THR 52 CO 0.02 0.50 0.63 0.00 0.37 0.00 0.00 175.52 177.04 2jtc h ALA 53 N 0.20 2.35 -0.05 6.16 0.00 0.15 2.44 119.26 130.51 2jtc h ALA 53 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jtc h ALA 53 Cb 0.86 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2jtc h ALA 53 CO 0.01 -0.66 -0.02 1.96 0.00 0.00 0.00 179.25 180.54 2jtc h GLN 54 N 0.32 0.11 0.00 0.00 4.20 -1.47 0.47 115.11 118.74 2jtc h GLN 54 Ca 0.49 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.14 2jtc h GLN 54 Cb 1.38 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.15 2jtc h GLN 54 CO -0.17 0.49 -0.09 0.82 -0.67 0.00 0.00 178.83 179.21 2jtc h ILE 55 N -0.28 0.37 -0.05 2.54 2.04 -0.11 0.45 117.51 122.47 2jtc h ILE 55 Ca 0.01 -0.49 -0.18 0.00 1.00 0.00 0.00 64.86 65.20 2jtc h ILE 55 Cb 0.45 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2jtc h ILE 55 CO 0.01 0.08 -0.75 0.24 0.00 0.00 0.00 178.15 177.73 2jtc h MET 56 N 0.00 0.33 -0.10 2.37 2.86 0.48 -2.89 114.93 117.97 2jtc h MET 56 Ca -0.00 -0.29 -0.09 0.00 -2.06 0.00 0.00 59.70 57.26 2jtc h MET 56 Cb 0.35 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2jtc h MET 56 CO 0.01 0.94 -0.30 -0.22 1.06 0.00 0.00 176.91 178.40 2jtc h LYS 57 N 0.22 0.39 -0.78 1.72 1.63 0.27 1.18 116.57 121.20 2jtc h LYS 57 Ca -0.03 -0.28 0.22 0.00 -0.85 0.00 0.00 60.65 59.71 2jtc h LYS 57 Cb 1.33 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.97 2jtc h LYS 57 CO 0.12 0.90 0.55 -0.92 -3.45 0.00 0.00 179.45 176.65 2jtc h TYR 58 N -0.06 0.09 0.00 1.91 5.03 -0.18 -2.20 116.97 121.56 2jtc h TYR 58 Ca -0.01 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 2jtc h TYR 58 Cb 0.92 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.15 2jtc h TYR 58 CO 0.11 0.03 -1.68 0.72 -1.32 0.00 0.00 178.16 176.02 2jtc n HIS 59 N -4.34 0.00 -4.15 -3.82 8.25 -1.10 -5.00 115.22 105.06 2jtc n HIS 59 Ca 0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.19 2jtc n HIS 59 Cb 0.80 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.14 -2.68 0.00 0.41 0.23 0.41 -4.88 115.26 106.60 2jtc n ASN 60 Ca -0.09 -1.30 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 2jtc n ASN 60 Cb 0.56 -1.62 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 -4.95 0.00 -1.98 -2.53 9.36 -1.26 -4.71 117.16 111.09 2jtc n TYR 61 Ca -0.17 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.65 2jtc n TYR 61 Cb 0.60 -0.40 -0.03 0.00 -0.63 0.00 0.00 39.34 38.88 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 -0.87 2.82 0.52 2.98 0.04 -1.26 -4.76 135.00 134.47 2jtc s PRO 62 Ca 0.00 0.96 0.30 0.00 0.04 0.00 0.00 61.00 62.30 2jtc s PRO 62 Cb 0.00 -4.34 1.26 0.00 0.04 0.00 0.00 34.50 31.47 2jtc s PRO 62 CO 0.00 -2.48 1.96 -0.91 0.04 0.00 0.00 177.00 175.61 2jtc h ASN 63 N 14.65 0.00 -4.05 6.66 -0.26 -1.84 -3.39 115.58 127.34 2jtc h ASN 63 Ca -0.28 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.11 2jtc h ASN 63 Cb 1.17 0.00 -0.28 0.00 -1.06 0.00 0.00 38.32 38.16 2jtc h ASN 63 CO 1.15 0.09 -0.76 -0.75 -1.06 0.00 0.00 177.43 176.10 2jtc s LYS 64 N -3.74 0.55 0.54 0.81 2.20 -1.26 0.11 119.74 118.95 2jtc s LYS 64 Ca 0.00 -0.31 -0.21 0.00 -0.36 0.00 0.00 55.97 55.09 2jtc s LYS 64 Cb 0.10 -0.52 -0.05 0.00 -1.51 0.00 0.00 37.83 35.85 2jtc s LYS 64 CO 0.57 0.14 1.25 0.41 -0.36 0.00 0.00 175.35 177.36 2jtc n GLY 65 N 2.73 0.46 0.11 5.54 0.00 -0.99 -4.88 105.19 108.16 2jtc n GLY 65 Ca -0.14 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 1.26 0.36 -7.25 0.99 6.46 -1.48 -3.37 115.31 112.28 2jtc h LEU 66 Ca -0.50 -0.89 -0.11 0.00 -0.12 0.00 0.00 57.88 56.26 2jtc h LEU 66 Cb 1.32 -0.12 -0.25 0.00 -0.73 0.00 0.00 40.66 40.89 2jtc h LEU 66 CO 0.56 1.44 -0.24 -0.75 -0.62 0.00 0.00 178.44 178.84 2jtc s LYS 67 N -2.42 0.47 1.04 1.25 2.20 -1.10 -4.52 119.74 116.65 2jtc s LYS 67 Ca -0.17 0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 56.03 2jtc s LYS 67 Cb 0.02 0.13 0.21 0.00 -1.51 0.00 0.00 37.83 36.68 2jtc s LYS 67 CO 0.78 -0.11 1.09 0.16 -0.36 0.00 0.00 175.35 176.91 2jtc s ASP 68 N 0.79 1.96 0.03 1.43 1.47 -1.26 -3.49 116.67 117.60 2jtc s ASP 68 Ca -0.05 1.88 -0.05 0.00 1.18 0.00 0.00 52.55 55.51 2jtc s ASP 68 Cb -0.05 -2.45 -0.01 0.00 -0.34 0.00 0.00 42.92 40.06 2jtc s ASP 68 CO -0.06 -3.65 0.08 -0.47 0.68 0.00 0.00 175.17 171.75 2jtc s TYR 69 N -2.55 0.21 -0.02 2.11 5.04 -0.11 -4.78 117.35 117.24 2jtc s TYR 69 Ca 0.68 -0.50 -0.22 0.00 -2.44 0.00 0.00 57.07 54.58 2jtc s TYR 69 Cb -0.24 -0.15 0.05 0.00 0.35 0.00 0.00 41.96 41.97 2jtc s TYR 69 CO 0.61 -0.35 0.48 -0.08 -1.34 0.00 0.00 175.55 174.88 2jtc s THR 70 N -2.50 0.03 0.01 4.34 -1.32 -1.26 0.11 115.64 115.05 2jtc s THR 70 Ca -0.06 -0.26 -0.22 0.00 -1.21 0.00 0.00 61.69 59.94 2jtc s THR 70 Cb -0.02 -0.81 0.05 0.00 -1.51 0.00 0.00 72.50 70.21 2jtc s THR 70 CO -0.04 -0.14 0.50 -0.72 -2.21 0.00 0.00 174.62 172.01 2jtc s TYR 71 N -1.37 -0.41 0.01 9.09 1.13 -0.28 -4.96 117.35 120.57 2jtc s TYR 71 Ca -0.12 0.57 -0.15 0.00 -1.41 0.00 0.00 57.07 55.96 2jtc s TYR 71 Cb -0.03 0.28 -0.06 0.00 -1.10 0.00 0.00 41.96 41.06 2jtc s TYR 71 CO 0.06 -0.56 0.43 0.99 -2.51 0.00 0.00 175.55 173.96 2jtc s THR 72 N -1.84 4.99 0.58 -3.49 2.01 -1.26 -0.21 115.64 116.42 2jtc s THR 72 Ca -0.09 0.88 -0.19 0.00 0.31 0.00 0.00 61.69 62.59 2jtc s THR 72 Cb -0.02 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2jtc s THR 72 CO 0.03 0.56 1.02 -0.11 -0.69 0.00 0.00 174.62 175.43 2jtc n LEU 73 N 1.76 3.85 -4.77 4.42 7.94 0.29 -4.90 117.00 125.59 2jtc n LEU 73 Ca -0.13 0.85 -0.40 0.00 -1.11 0.00 0.00 56.01 55.22 2jtc n LEU 73 Cb 0.52 -1.41 0.01 0.00 0.53 0.00 0.00 43.42 43.07 2jtc n LEU 73 CO 0.38 -1.65 1.07 -0.94 -1.11 0.00 0.00 177.39 175.14 2jtc s SER 74 N -1.15 6.11 0.00 1.96 1.04 -1.26 -4.81 113.70 115.59 2jtc s SER 74 Ca 0.74 2.90 0.11 0.00 0.48 0.00 0.00 55.95 60.19 2jtc s SER 74 Cb -0.43 -2.66 0.57 0.00 0.10 0.00 0.00 66.02 63.60 2jtc s SER 74 CO 0.48 -1.01 1.25 -1.20 0.98 0.00 0.00 173.24 173.73 2jtc n SER 75 N 0.08 0.00 -0.59 7.02 7.64 -1.26 -1.33 113.62 125.18 2jtc n SER 75 Ca 0.03 0.10 0.11 0.00 1.01 0.00 0.00 58.87 60.13 2jtc n SER 75 Cb 0.41 -0.27 0.04 0.00 -1.01 0.00 0.00 64.21 63.38 2jtc n SER 75 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jtc n ASN 76 N -1.27 2.21 -4.61 6.43 4.13 -1.26 -4.89 115.26 115.99 2jtc n ASN 76 Ca 0.05 -1.60 -0.43 0.00 1.68 0.00 0.00 54.58 54.28 2jtc n ASN 76 Cb 0.09 0.35 -0.02 0.00 -1.54 0.00 0.00 39.78 38.65 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2jtc s ASN 77 N -2.36 6.20 -0.04 6.41 3.84 -0.44 -4.84 114.94 123.71 2jtc s ASN 77 Ca 0.21 1.28 0.08 0.00 0.21 0.00 0.00 52.86 54.64 2jtc s ASN 77 Cb 0.19 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.66 2jtc s ASN 77 CO 0.51 -1.46 1.16 -0.81 -2.79 0.00 0.00 177.10 173.70 2jtc n PRO 78 N 8.04 2.08 0.00 0.43 -0.04 -1.26 -3.88 135.00 140.37 2jtc n PRO 78 Ca 0.20 -1.22 0.04 0.00 -0.04 0.00 0.00 63.50 62.48 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 0.37 0.00 -4.08 0.54 4.01 -1.26 -2.60 117.16 114.14 2jtc n TYR 79 Ca 0.11 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.77 2jtc n TYR 79 Cb 0.41 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.13 0.55 0.00 -0.72 0.40 -1.25 0.13 117.98 115.96 2jtc s PHE 80 Ca 0.07 -1.06 0.00 0.00 -0.60 0.00 0.00 56.93 55.34 2jtc s PHE 80 Cb 0.07 -0.38 0.00 0.00 0.51 0.00 0.00 43.02 43.22 2jtc s PHE 80 CO 0.19 -0.42 0.44 0.09 0.70 0.00 0.00 175.22 176.22 2jtc n ASN 81 N 0.06 0.00 0.00 1.36 3.02 -1.26 -4.85 115.26 113.58 2jtc n ASN 81 Ca -0.13 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 2jtc n ASN 81 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.70 0.00 -0.97 3.10 8.25 -1.26 -4.96 115.22 118.68 2jtc n HIS 82 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2jtc n HIS 82 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 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 2.36 -3.58 -0.41 -0.04 -1.26 -4.11 135.00 127.95 2jtc n PRO 83 Ca 0.00 -1.35 -0.41 0.00 -0.04 0.00 0.00 63.50 61.70 2jtc n PRO 83 Cb 0.00 -2.27 -0.10 0.00 -0.04 0.00 0.00 33.50 31.09 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 1.90 2.68 -0.12 0.54 2.47 -1.26 -4.96 119.74 120.99 2jtc s LYS 84 Ca 0.58 -1.39 -0.07 0.00 -1.56 0.00 0.00 55.97 53.53 2jtc s LYS 84 Cb 0.22 -3.81 -0.04 0.00 -1.46 0.00 0.00 37.83 32.74 2jtc s LYS 84 CO -0.02 -0.92 0.13 -0.80 0.16 0.00 0.00 175.35 173.90 2jtc s ASN 85 N 2.08 6.34 -0.14 1.43 0.01 -1.26 0.11 114.94 123.50 2jtc s ASN 85 Ca 0.03 0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 52.63 2jtc s ASN 85 Cb -0.23 -2.04 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 2jtc s ASN 85 CO 0.03 0.41 -0.12 -0.76 -1.51 0.00 0.00 177.10 175.15 2jtc s LEU 86 N -1.03 2.73 -0.10 0.60 1.02 0.71 -4.93 118.68 117.67 2jtc s LEU 86 Ca 0.15 -0.34 0.04 0.00 0.02 0.00 0.00 54.13 54.00 2jtc s LEU 86 Cb -0.12 -1.63 0.00 0.00 0.02 0.00 0.00 46.19 44.47 2jtc s LEU 86 CO 0.04 0.14 -0.23 0.12 0.02 0.00 0.00 176.35 176.43 2jtc s PHE 87 N 0.52 2.53 -0.34 0.29 5.36 -1.26 -1.12 117.98 123.96 2jtc s PHE 87 Ca -0.08 -1.05 -0.08 0.00 -0.96 0.00 0.00 56.93 54.76 2jtc s PHE 87 Cb -0.16 -1.69 0.03 0.00 -0.34 0.00 0.00 43.02 40.86 2jtc s PHE 87 CO 0.04 -0.43 0.13 0.00 -1.46 0.00 0.00 175.22 173.50 2jtc s ALA 88 N 0.38 3.13 -0.25 11.12 0.00 0.30 -4.96 121.76 131.48 2jtc s ALA 88 Ca -0.18 -1.67 -0.04 0.00 0.00 0.00 0.00 51.96 50.06 2jtc s ALA 88 Cb -0.18 -2.35 -0.14 0.00 0.00 0.00 0.00 23.12 20.45 2jtc s ALA 88 CO 0.08 -1.26 2.41 0.00 0.00 0.00 0.00 175.76 176.99 2jtc n ALA 89 N 4.88 4.56 -0.03 0.00 0.00 -1.26 -0.94 120.51 127.73 2jtc n ALA 89 Ca -0.13 -1.41 -0.09 0.00 0.00 0.00 0.00 53.44 51.82 2jtc n ALA 89 Cb 0.46 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 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 0.45 -0.97 0.00 2.04 -1.88 0.59 117.51 120.36 2jtc h ILE 90 Ca 0.22 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.37 2jtc h ILE 90 Cb 0.76 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2jtc h ILE 90 CO 0.61 0.00 0.94 0.77 0.00 0.00 0.00 178.15 180.47 2jtc h SER 91 N -0.24 0.00 -0.23 1.72 4.64 -1.72 2.05 113.55 119.79 2jtc h SER 91 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2jtc h SER 91 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2jtc h SER 91 CO -0.34 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.97 2jtc n THR 92 N -3.62 2.22 -2.36 2.95 -2.24 0.18 -4.50 114.28 106.92 2jtc n THR 92 Ca 0.21 -1.92 -0.33 0.00 -2.27 0.00 0.00 64.05 59.74 2jtc n THR 92 Cb 1.25 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.81 3.72 -0.59 -0.78 1.81 0.69 -4.87 118.95 116.12 2jtc s ARG 93 Ca 0.41 1.17 0.01 0.00 -1.72 0.00 0.00 55.73 55.60 2jtc s ARG 93 Cb 0.33 -2.09 0.15 0.00 -0.45 0.00 0.00 34.95 32.89 2jtc s ARG 93 CO 0.08 -0.48 0.37 -1.14 -0.68 0.00 0.00 175.30 173.45 2jtc s GLN 94 N -3.75 2.29 -1.01 3.54 -0.44 -1.26 -2.34 119.66 116.69 2jtc s GLN 94 Ca 0.63 -2.67 -0.22 0.00 -2.50 0.00 0.00 55.36 50.60 2jtc s GLN 94 Cb -0.14 -3.51 0.06 0.00 -1.64 0.00 0.00 33.01 27.78 2jtc s GLN 94 CO 0.28 -1.15 1.42 0.71 0.50 0.00 0.00 175.29 177.05 2jtc s TYR 95 N -0.34 2.59 -0.95 1.67 2.02 0.29 -4.92 117.35 117.72 2jtc s TYR 95 Ca 0.18 -0.91 -0.24 0.00 -0.37 0.00 0.00 57.07 55.73 2jtc s TYR 95 Cb -0.22 -4.66 0.05 0.00 -0.40 0.00 0.00 41.96 36.73 2jtc s TYR 95 CO -0.03 -1.89 1.41 1.21 -1.57 0.00 0.00 175.55 174.68 2jtc s ASN 96 N 4.83 6.42 0.00 2.29 3.84 -1.26 -4.44 114.94 126.62 2jtc s ASN 96 Ca 0.45 -1.22 0.02 0.00 0.21 0.00 0.00 52.86 52.31 2jtc s ASN 96 Cb -0.00 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 38.20 2jtc s ASN 96 CO -0.10 -1.58 1.00 0.79 -2.79 0.00 0.00 177.10 174.42 2jtc n TRP 97 N 8.99 0.00 0.46 0.43 7.02 -1.26 0.62 117.44 133.71 2jtc n TRP 97 Ca 0.26 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.86 2jtc n TRP 97 Cb 0.51 -0.44 0.08 0.00 -2.42 0.00 0.00 31.31 29.04 2jtc n TRP 97 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2jtc n ASN 98 N -1.44 0.69 -0.10 -0.99 2.85 -1.26 -3.99 115.26 111.02 2jtc n ASN 98 Ca 0.01 0.05 -0.13 0.00 -0.11 0.00 0.00 54.58 54.40 2jtc n ASN 98 Cb 0.02 0.46 -0.15 0.00 1.24 0.00 0.00 39.78 41.35 2jtc n ASN 98 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2jtc n ASN 99 N -2.18 0.76 -4.56 1.20 3.02 0.20 -4.73 115.26 108.98 2jtc n ASN 99 Ca 0.02 -0.02 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 2jtc n ASN 99 Cb 0.46 0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 40.02 2jtc n ASN 99 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jtc s ILE 100 N -2.51 3.57 0.56 2.41 1.01 -0.01 -4.57 121.20 121.66 2jtc s ILE 100 Ca -0.18 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.06 2jtc s ILE 100 Cb 0.07 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 2jtc s ILE 100 CO 0.75 -1.29 1.10 -0.76 0.00 0.00 0.00 174.94 174.75 2jtc s LEU 101 N 8.11 3.68 0.20 2.97 1.43 -1.26 -4.90 118.68 128.91 2jtc s LEU 101 Ca 0.59 2.07 0.11 0.00 -1.03 0.00 0.00 54.13 55.87 2jtc s LEU 101 Cb -0.07 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.57 2jtc s LEU 101 CO 0.04 -1.21 1.39 1.55 0.23 0.00 0.00 176.35 178.35 2jtc h PRO 102 N 0.98 0.00 -3.75 1.29 0.13 -1.84 -3.44 132.00 125.37 2jtc h PRO 102 Ca -0.49 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.27 2jtc h PRO 102 Cb 1.25 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.03 2jtc h PRO 102 CO 0.57 0.77 -0.75 -0.08 -0.23 0.00 0.00 178.00 178.27 2jtc s THR 103 N -2.92 0.25 0.03 1.56 -1.32 -0.98 0.27 115.64 112.53 2jtc s THR 103 Ca 0.02 0.07 0.04 0.00 -1.21 0.00 0.00 61.69 60.62 2jtc s THR 103 Cb 0.09 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.69 2jtc s THR 103 CO 0.78 0.18 -0.09 -0.31 -2.21 0.00 0.00 174.62 172.97 2jtc s TYR 104 N 1.22 2.81 -0.73 9.09 1.51 -1.25 -4.93 117.35 125.08 2jtc s TYR 104 Ca -0.07 -0.09 0.21 0.00 -1.01 0.00 0.00 57.07 56.11 2jtc s TYR 104 Cb -0.13 -1.56 -0.26 0.00 -0.11 0.00 0.00 41.96 39.90 2jtc s TYR 104 CO -0.02 0.36 0.78 -1.13 -1.11 0.00 0.00 175.55 174.43 2jtc n SER 105 N 1.41 0.72 0.00 2.29 3.41 -1.26 -4.95 113.62 115.24 2jtc n SER 105 Ca -0.15 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 2jtc n SER 105 Cb 0.52 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 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 1.43 0.53 0.14 5.00 0.00 -1.26 -4.88 105.19 106.16 2jtc n GLY 106 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 2.21 -0.24 1.61 1.74 -1.26 -4.91 116.66 113.80 2jtc n ARG 107 Ca 0.00 -2.13 -0.08 0.00 -0.77 0.00 0.00 57.85 54.87 2jtc n ARG 107 Cb 0.00 -1.31 0.07 0.00 -1.02 0.00 0.00 32.46 30.20 2jtc n ARG 107 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2jtc n GLU 108 N -0.86 -1.82 -2.34 5.56 4.71 -1.26 -5.04 120.64 119.59 2jtc n GLU 108 Ca 0.10 -0.46 -0.26 0.00 -0.01 0.00 0.00 57.16 56.52 2jtc n GLU 108 Cb 0.49 -0.46 0.16 0.00 -1.01 0.00 0.00 31.44 30.62 2jtc n GLU 108 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2jtc s SER 109 N -2.31 3.61 0.07 1.62 1.04 -1.26 -4.96 113.70 111.51 2jtc s SER 109 Ca 0.19 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.27 2jtc s SER 109 Cb -0.02 0.10 -0.27 0.00 0.10 0.00 0.00 66.02 65.94 2jtc s SER 109 CO 0.15 -2.38 1.13 0.78 0.98 0.00 0.00 173.24 173.90 2jtc h ASN 110 N -1.09 0.77 0.19 7.02 2.35 -1.98 -2.78 115.58 120.06 2jtc h ASN 110 Ca -0.38 -0.72 0.01 0.00 -0.55 0.00 0.00 56.30 54.66 2jtc h ASN 110 Cb 1.24 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 39.33 2jtc h ASN 110 CO 0.35 1.53 -0.48 0.58 -1.65 0.00 0.00 177.43 177.76 2jtc h VAL 111 N 0.23 0.07 -0.44 2.81 2.07 -1.99 0.90 116.25 119.91 2jtc h VAL 111 Ca -0.17 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2jtc h VAL 111 Cb 1.90 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2jtc h VAL 111 CO 0.23 0.00 0.13 1.56 0.02 0.00 0.00 177.57 179.51 2jtc h GLN 112 N -0.76 0.65 -0.52 1.57 4.20 -1.81 -1.31 115.11 117.12 2jtc h GLN 112 Ca -0.00 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 2jtc h GLN 112 Cb 0.75 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2jtc h GLN 112 CO -0.23 0.57 0.16 0.87 -0.67 0.00 0.00 178.83 179.54 2jtc h LYS 113 N 0.63 0.81 -0.84 1.46 1.57 -0.95 -1.82 116.57 117.44 2jtc h LYS 113 Ca 0.15 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2jtc h LYS 113 Cb 0.20 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2jtc h LYS 113 CO -0.01 0.75 0.56 1.98 -0.57 0.00 0.00 179.45 182.16 2jtc h MET 114 N 0.72 1.10 0.13 3.15 4.05 0.16 0.91 114.93 125.16 2jtc h MET 114 Ca 0.17 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 2jtc h MET 114 Cb 0.28 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2jtc h MET 114 CO -0.01 0.73 -0.10 0.00 0.23 0.00 0.00 176.91 177.76 2jtc h ALA 115 N 1.48 -0.91 -0.09 0.39 0.00 -0.44 0.33 119.26 120.03 2jtc h ALA 115 Ca 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2jtc h ALA 115 Cb -0.13 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jtc h ALA 115 CO -0.07 -0.91 0.00 0.97 0.00 0.00 0.00 179.25 179.25 2jtc h ILE 116 N -0.23 1.24 -0.82 0.00 6.09 -1.36 0.29 117.51 122.73 2jtc h ILE 116 Ca -0.02 -0.76 0.20 0.00 -1.37 0.00 0.00 64.86 62.91 2jtc h ILE 116 Cb 0.19 1.59 -0.13 0.00 0.47 0.00 0.00 36.82 38.94 2jtc h ILE 116 CO 0.01 0.21 0.23 0.77 -3.07 0.00 0.00 178.15 176.30 2jtc h SER 117 N -0.12 0.05 -0.09 2.19 4.64 0.84 0.75 113.55 121.80 2jtc h SER 117 Ca 0.02 0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 2jtc h SER 117 Cb 0.33 0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2jtc h SER 117 CO 0.00 -0.08 -0.11 -0.08 -0.87 0.00 0.00 176.83 175.69 2jtc h GLU 118 N 0.26 0.23 -0.50 4.77 4.81 -0.02 0.13 114.58 124.27 2jtc h GLU 118 Ca 0.49 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 59.69 2jtc h GLU 118 Cb 0.92 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.20 2jtc h GLU 118 CO -0.58 0.68 -0.21 1.25 -0.73 0.00 0.00 179.01 179.42 2jtc h LEU 119 N -0.20 -0.73 -0.34 1.64 5.85 0.26 2.37 115.31 124.16 2jtc h LEU 119 Ca 0.01 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2jtc h LEU 119 Cb 0.65 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2jtc h LEU 119 CO 0.03 -0.24 0.22 0.24 -0.34 0.00 0.00 178.44 178.35 2jtc h MET 120 N -0.10 0.46 -0.44 1.25 2.86 0.46 1.37 114.93 120.79 2jtc h MET 120 Ca 0.23 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 2jtc h MET 120 Cb 0.46 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2jtc h MET 120 CO -0.56 0.31 0.08 0.00 1.06 0.00 0.00 176.91 177.81 2jtc h ALA 121 N 1.11 1.32 0.33 6.32 0.00 0.19 2.46 119.26 131.00 2jtc h ALA 121 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2jtc h ALA 121 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jtc h ALA 121 CO -0.03 0.48 -0.16 -0.44 0.00 0.00 0.00 179.25 179.10 2jtc h ASP 122 N 0.65 -0.38 0.72 0.00 3.32 0.49 0.80 116.42 122.03 2jtc h ASP 122 Ca 0.14 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2jtc h ASP 122 Cb 0.28 0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.94 2jtc h ASP 122 CO 0.00 0.02 -0.35 0.58 -1.72 0.00 0.00 179.24 177.78 2jtc h VAL 123 N -0.85 0.19 -0.72 -1.35 2.07 0.22 1.19 116.25 116.99 2jtc h VAL 123 Ca -0.05 -0.18 0.14 0.00 0.82 0.00 0.00 66.70 67.44 2jtc h VAL 123 Cb 0.53 0.23 -0.14 0.00 -1.52 0.00 0.00 31.29 30.39 2jtc h VAL 123 CO 0.07 0.01 -0.19 1.23 0.02 0.00 0.00 177.57 178.72 2jtc h GLY 124 N -1.12 0.50 0.83 2.17 0.00 0.41 0.70 103.07 106.56 2jtc h GLY 124 Ca -0.10 0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 2jtc h GLY 124 CO 0.16 -0.27 -0.36 -2.22 0.00 0.00 0.00 176.54 173.85 2jtc h ILE 125 N -0.01 0.12 -1.17 2.60 2.04 -0.63 0.48 117.51 120.94 2jtc h ILE 125 Ca 0.34 -0.21 0.34 0.00 1.00 0.00 0.00 64.86 66.33 2jtc h ILE 125 Cb 0.53 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2jtc h ILE 125 CO -0.74 0.01 0.94 0.77 0.00 0.00 0.00 178.15 179.13 2jtc h SER 126 N -1.19 0.00 -0.96 1.72 4.64 0.34 1.34 113.55 119.44 2jtc h SER 126 Ca -0.10 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.65 2jtc h SER 126 Cb 0.79 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.58 2jtc h SER 126 CO 0.17 0.00 0.67 1.33 -0.87 0.00 0.00 176.83 178.12 2jtc n VAL 127 N -3.92 3.33 -4.17 0.95 0.24 0.23 -4.72 118.33 110.27 2jtc n VAL 127 Ca 0.25 -2.42 -0.34 0.00 -2.04 0.00 0.00 64.34 59.79 2jtc n VAL 127 Cb 1.32 -0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.05 -0.54 -4.70 -1.34 9.92 0.46 -3.82 116.55 115.48 2jtc n ASP 128 Ca 0.59 -1.21 -0.42 0.00 -0.53 0.00 0.00 54.79 53.22 2jtc n ASP 128 Cb 1.23 -1.49 -0.03 0.00 -0.64 0.00 0.00 41.12 40.19 2jtc n ASP 128 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2jtc s MET 129 N -7.19 4.22 -0.14 -1.24 1.75 0.16 -4.45 119.30 112.41 2jtc s MET 129 Ca 0.14 2.28 -0.29 0.00 -1.25 0.00 0.00 55.69 56.56 2jtc s MET 129 Cb -0.08 -3.43 -0.02 0.00 2.84 0.00 0.00 34.83 34.14 2jtc s MET 129 CO 0.93 -0.65 1.22 0.34 -0.65 0.00 0.00 175.02 176.21 2jtc s ASP 130 N 1.85 7.00 -0.29 1.11 2.15 0.33 -4.88 116.67 123.94 2jtc s ASP 130 Ca 0.71 1.69 -0.10 0.00 0.43 0.00 0.00 52.55 55.28 2jtc s ASP 130 Cb -0.40 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.65 2jtc s ASP 130 CO 0.31 -0.69 0.15 -0.31 -0.17 0.00 0.00 175.17 174.46 2jtc s TYR 131 N 3.06 3.17 0.00 -5.34 2.02 -1.26 -2.08 117.35 116.92 2jtc s TYR 131 Ca 0.54 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 2jtc s TYR 131 Cb -0.22 -2.34 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 2jtc s TYR 131 CO 0.16 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.20 2jtc n GLY 132 N 5.00 3.71 0.25 0.71 0.00 -1.26 -4.80 105.19 108.80 2jtc n GLY 132 Ca -0.14 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.81 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 0.11 -6.14 1.61 0.13 -1.91 -2.28 132.00 123.52 2jtc h PRO 133 Ca 0.00 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.43 2jtc h PRO 133 Cb 0.00 -0.02 -0.18 0.00 0.13 0.00 0.00 31.00 30.93 2jtc h PRO 133 CO 0.00 0.20 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.16 2jtc s SER 134 N -6.96 4.75 -0.26 1.44 0.01 -1.26 -4.03 113.70 107.39 2jtc s SER 134 Ca -0.05 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.22 2jtc s SER 134 Cb 0.16 -1.21 0.06 0.00 0.21 0.00 0.00 66.02 65.24 2jtc s SER 134 CO 0.70 0.35 -0.09 -0.44 0.41 0.00 0.00 173.24 174.17 2jtc s SER 135 N -0.93 4.35 -0.11 2.44 0.01 -1.26 -4.66 113.70 113.54 2jtc s SER 135 Ca 0.13 -1.38 -0.02 0.00 1.31 0.00 0.00 55.95 55.99 2jtc s SER 135 Cb -0.11 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.61 2jtc s SER 135 CO 0.03 -0.20 -0.02 -0.83 0.41 0.00 0.00 173.24 172.63 2jtc s GLY 136 N 1.15 1.79 0.00 3.44 0.00 -0.88 -3.68 107.32 109.14 2jtc s GLY 136 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.82 2jtc s GLY 136 CO -0.05 -0.42 0.00 -1.26 0.00 0.00 0.00 173.10 171.37 2jtc n SER 137 N 2.60 1.17 -0.08 1.64 2.88 -1.26 0.12 113.62 120.69 2jtc n SER 137 Ca -0.18 -0.17 -0.10 0.00 -1.33 0.00 0.00 58.87 57.09 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 0.58 0.00 -1.46 0.00 -1.25 -2.99 120.51 112.39 2jtc n ALA 138 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 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 1.55 0.45 0.27 0.00 0.00 -1.26 -2.34 105.19 103.86 2jtc n GLY 139 Ca -0.15 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.72 -0.95 1.61 0.02 -1.94 0.51 113.55 112.08 2jtc h SER 140 Ca 0.00 0.12 0.27 0.00 -0.84 0.00 0.00 61.79 61.34 2jtc h SER 140 Cb 0.00 0.32 -0.14 0.00 0.14 0.00 0.00 62.40 62.72 2jtc h SER 140 CO 0.00 -0.28 0.44 0.77 -1.14 0.00 0.00 176.83 176.62 2jtc h SER 141 N -0.29 0.34 0.17 3.07 4.64 -1.96 1.97 113.55 121.48 2jtc h SER 141 Ca 0.10 0.18 -0.25 0.00 -0.47 0.00 0.00 61.79 61.36 2jtc h SER 141 Cb 0.44 0.17 0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2jtc h SER 141 CO -0.31 -0.09 -1.12 0.03 -0.87 0.00 0.00 176.83 174.47 2jtc h ARG 142 N 0.33 0.35 0.23 4.77 2.47 -1.69 -2.93 114.38 117.91 2jtc h ARG 142 Ca 0.64 -0.60 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 2jtc h ARG 142 Cb 1.35 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.90 2jtc h ARG 142 CO -0.60 1.29 -0.11 0.28 0.56 0.00 0.00 179.97 181.39 2jtc h VAL 143 N -0.22 0.82 -0.61 2.04 2.07 0.25 1.33 116.25 121.92 2jtc h VAL 143 Ca -0.21 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 66.63 2jtc h VAL 143 Cb 1.81 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 2jtc h VAL 143 CO 0.17 0.16 0.41 0.06 0.02 0.00 0.00 177.57 178.38 2jtc h GLN 144 N -0.73 0.47 0.01 1.57 -0.00 0.28 0.49 115.11 117.21 2jtc h GLN 144 Ca -0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 2jtc h GLN 144 Cb 0.49 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 2jtc h GLN 144 CO 0.05 0.31 -0.01 -0.09 -0.00 0.00 0.00 178.83 179.09 2jtc h ARG 145 N 0.48 -0.02 -0.70 0.06 2.43 -1.33 -3.17 114.38 112.14 2jtc h ARG 145 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2jtc h ARG 145 Cb 0.46 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2jtc h ARG 145 CO -0.08 0.77 0.44 0.00 -1.51 0.00 0.00 179.97 179.59 2jtc h ALA 146 N -0.03 1.45 0.04 2.80 0.00 0.22 1.01 119.26 124.77 2jtc h ALA 146 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jtc h ALA 146 Cb 0.80 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jtc h ALA 146 CO 0.00 0.48 -0.10 -0.07 0.00 0.00 0.00 179.25 179.57 2jtc h LEU 147 N 0.95 -0.27 0.11 0.00 3.38 -0.12 0.67 115.31 120.04 2jtc h LEU 147 Ca 0.25 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 2jtc h LEU 147 Cb -0.07 0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.81 2jtc h LEU 147 CO -0.05 -0.15 -0.65 0.11 0.09 0.00 0.00 178.44 177.79 2jtc h LYS 148 N -0.19 0.23 0.12 1.13 1.57 -1.45 0.62 116.57 118.60 2jtc h LYS 148 Ca 0.02 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2jtc h LYS 148 Cb 0.21 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2jtc h LYS 148 CO -0.07 1.19 -0.06 0.93 -0.57 0.00 0.00 179.45 180.87 2jtc h GLU 149 N -0.52 -0.16 0.04 3.15 5.08 0.11 -1.87 114.58 120.42 2jtc h GLU 149 Ca -0.12 0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 57.97 2jtc h GLU 149 Cb 1.50 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 2jtc h GLU 149 CO 0.11 0.23 -1.57 0.09 -1.00 0.00 0.00 179.01 176.87 2jtc n ASN 150 N -4.97 1.96 -1.53 1.42 5.03 0.20 -4.21 115.26 113.16 2jtc n ASN 150 Ca -0.09 0.34 0.10 0.00 0.87 0.00 0.00 54.58 55.81 2jtc n ASN 150 Cb 0.24 -0.92 0.35 0.00 -1.02 0.00 0.00 39.78 38.42 2jtc n ASN 150 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2jtc n PHE 151 N -4.10 1.36 -3.70 3.10 3.72 0.53 -1.67 117.46 116.71 2jtc n PHE 151 Ca -0.33 -0.57 -0.30 0.00 -0.05 0.00 0.00 57.45 56.21 2jtc n PHE 151 Cb 0.82 -0.19 -0.06 0.00 -0.94 0.00 0.00 39.48 39.11 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 1.27 -0.26 3.52 1.37 0.00 0.17 -4.65 105.19 106.62 2jtc n GLY 152 Ca 0.25 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.82 1.49 0.20 1.61 1.51 0.11 -4.80 117.35 114.65 2jtc s TYR 153 Ca 0.51 1.10 -0.31 0.00 -1.01 0.00 0.00 57.07 57.36 2jtc s TYR 153 Cb -0.30 -3.13 -0.15 0.00 -0.11 0.00 0.00 41.96 38.27 2jtc s TYR 153 CO 0.74 -3.74 1.04 -1.71 -1.11 0.00 0.00 175.55 170.77 2jtc n ASN 154 N -4.81 0.98 0.30 2.29 5.15 0.35 -4.65 115.26 114.87 2jtc n ASN 154 Ca 0.03 1.15 0.16 0.00 -0.60 0.00 0.00 54.58 55.32 2jtc n ASN 154 Cb 0.55 -1.20 0.80 0.00 -0.53 0.00 0.00 39.78 39.40 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 2.67 0.00 0.00 1.20 5.75 -1.87 0.97 115.11 123.83 2jtc h GLN 155 Ca -0.41 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 2jtc h GLN 155 Cb 1.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.91 2jtc h GLN 155 CO 0.66 0.00 0.28 0.66 -2.65 0.00 0.00 178.83 177.77 2jtc h SER 156 N 0.00 0.00 -2.40 -0.69 4.64 -1.84 -3.41 113.55 109.85 2jtc h SER 156 Ca 0.03 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.80 2jtc h SER 156 Cb 0.75 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.88 2jtc h SER 156 CO -0.00 0.00 1.07 0.52 -0.87 0.00 0.00 176.83 177.55 2jtc n VAL 157 N -2.50 0.35 -3.86 0.95 0.31 0.33 -4.67 118.33 109.24 2jtc n VAL 157 Ca -0.02 -0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 2jtc n VAL 157 Cb 0.31 -2.01 -0.08 0.00 -0.91 0.00 0.00 33.84 31.16 2jtc n VAL 157 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2jtc s HIS 158 N 2.67 0.11 0.07 3.52 -3.43 -1.16 -5.00 115.29 112.07 2jtc s HIS 158 Ca 0.83 -0.42 0.01 0.00 -0.80 0.00 0.00 55.06 54.69 2jtc s HIS 158 Cb -0.54 -0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 30.52 2jtc s HIS 158 CO 0.39 -0.46 0.17 -1.14 -2.00 0.00 0.00 174.74 171.70 2jtc s GLN 159 N -3.04 3.26 0.11 -0.38 0.74 -1.26 -1.55 119.66 117.54 2jtc s GLN 159 Ca -0.01 -0.53 0.05 0.00 0.05 0.00 0.00 55.36 54.92 2jtc s GLN 159 Cb 0.01 -2.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 2jtc s GLN 159 CO -0.07 0.59 -0.13 0.96 -0.55 0.00 0.00 175.29 176.10 2jtc s ILE 160 N -1.49 1.17 -0.30 -2.34 -4.36 0.59 -4.90 121.20 109.57 2jtc s ILE 160 Ca 0.33 -1.63 0.03 0.00 -0.26 0.00 0.00 60.65 59.12 2jtc s ILE 160 Cb -0.13 -1.41 0.07 0.00 1.25 0.00 0.00 42.46 42.25 2jtc s ILE 160 CO 0.26 -0.44 -0.03 0.20 0.24 0.00 0.00 174.94 175.17 2jtc s ASN 161 N -2.35 4.64 0.26 4.36 0.01 -1.26 0.11 114.94 120.71 2jtc s ASN 161 Ca 0.06 -1.67 -0.02 0.00 -0.71 0.00 0.00 52.86 50.52 2jtc s ASN 161 Cb -0.05 -1.60 0.56 0.00 0.41 0.00 0.00 41.25 40.57 2jtc s ASN 161 CO 0.02 -0.28 1.68 -0.09 -1.51 0.00 0.00 177.10 176.92 2jtc h ARG 162 N 7.75 0.27 -0.00 -0.60 9.65 -1.60 0.85 114.38 130.69 2jtc h ARG 162 Ca -0.14 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 2jtc h ARG 162 Cb 1.04 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2jtc h ARG 162 CO 0.50 0.18 0.00 0.78 2.80 0.00 0.00 179.97 184.23 2jtc h GLY 163 N 0.27 0.00 -1.60 2.80 0.00 -1.94 -1.62 103.07 100.99 2jtc h GLY 163 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2jtc h GLY 163 CO -0.55 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.21 2jtc n ASP 164 N -3.48 2.73 -4.74 0.19 9.92 0.28 -5.00 116.55 116.45 2jtc n ASP 164 Ca -0.03 -1.81 -0.30 0.00 -0.53 0.00 0.00 54.79 52.12 2jtc n ASP 164 Cb 0.08 -0.08 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 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 -1.42 2.11 -0.13 1.24 0.40 -0.58 -4.97 117.98 114.63 2jtc s PHE 165 Ca 0.25 -0.81 -0.07 0.00 -0.60 0.00 0.00 56.93 55.69 2jtc s PHE 165 Cb 0.16 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 2jtc s PHE 165 CO 0.23 0.18 0.13 -1.54 0.70 0.00 0.00 175.22 174.93 2jtc s SER 166 N -3.90 6.28 0.22 1.36 1.04 -1.26 -4.86 113.70 112.58 2jtc s SER 166 Ca 0.22 0.41 -0.05 0.00 0.48 0.00 0.00 55.95 57.01 2jtc s SER 166 Cb 0.04 -2.04 0.38 0.00 0.10 0.00 0.00 66.02 64.50 2jtc s SER 166 CO 0.12 0.37 1.20 1.17 0.98 0.00 0.00 173.24 177.08 2jtc n LYS 167 N 2.27 -0.07 0.35 4.02 4.81 -1.26 0.21 118.16 128.49 2jtc n LYS 167 Ca -0.19 1.19 -0.16 0.00 -0.87 0.00 0.00 58.31 58.28 2jtc n LYS 167 Cb 0.54 -1.80 -0.08 0.00 0.02 0.00 0.00 35.03 33.72 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 -0.87 0.00 1.64 1.08 -1.99 -0.18 115.11 114.79 2jtc h GLN 168 Ca 0.38 0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.64 2jtc h GLN 168 Cb 0.61 0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2jtc h GLN 168 CO -0.78 -0.54 -0.01 -0.44 -0.95 0.00 0.00 178.83 176.10 2jtc h ASP 169 N -1.11 0.00 0.01 1.46 5.19 -1.05 0.60 116.42 121.53 2jtc h ASP 169 Ca -0.09 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.17 2jtc h ASP 169 Cb 0.73 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.25 2jtc h ASP 169 CO 0.15 0.01 -0.57 -0.25 -3.12 0.00 0.00 179.24 175.46 2jtc h TRP 170 N 0.00 0.56 -0.10 4.55 2.91 0.30 -3.08 115.95 121.08 2jtc h TRP 170 Ca -0.00 -0.31 -0.20 0.00 1.13 0.00 0.00 58.89 59.51 2jtc h TRP 170 Cb 0.15 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 2jtc h TRP 170 CO 0.00 1.13 -0.75 0.93 -1.03 0.00 0.00 178.44 178.72 2jtc h GLU 171 N -0.17 0.56 -0.79 2.65 5.08 -0.44 -3.05 114.58 118.41 2jtc h GLU 171 Ca -0.07 -0.46 0.17 0.00 -1.00 0.00 0.00 59.36 58.00 2jtc h GLU 171 Cb 1.30 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.54 2jtc h GLU 171 CO 0.11 1.08 0.29 0.00 -1.00 0.00 0.00 179.01 179.49 2jtc h ALA 172 N 0.79 1.13 -0.72 3.43 0.00 -0.96 1.21 119.26 124.14 2jtc h ALA 172 Ca -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jtc h ALA 172 Cb 1.35 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 2jtc h ALA 172 CO 0.14 -0.28 0.40 1.96 0.00 0.00 0.00 179.25 181.46 2jtc h GLN 173 N 0.38 1.00 0.17 0.00 1.08 -1.44 -1.58 115.11 114.73 2jtc h GLN 173 Ca 0.46 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 2jtc h GLN 173 Cb 0.77 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2jtc h GLN 173 CO -0.47 0.75 -0.08 0.82 -0.95 0.00 0.00 178.83 178.89 2jtc h ILE 174 N 0.99 0.31 -0.31 2.54 2.04 -0.20 -2.91 117.51 119.97 2jtc h ILE 174 Ca 0.25 -1.00 0.07 0.00 1.00 0.00 0.00 64.86 65.19 2jtc h ILE 174 Cb 0.04 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 2jtc h ILE 174 CO -0.04 0.09 -0.30 0.44 0.00 0.00 0.00 178.15 178.35 2jtc h ASP 175 N -1.02 -0.96 -0.93 1.72 5.19 0.12 0.33 116.42 120.86 2jtc h ASP 175 Ca -0.02 0.17 0.18 0.00 -0.62 0.00 0.00 57.03 56.73 2jtc h ASP 175 Cb 0.33 0.45 -0.11 0.00 0.18 0.00 0.00 39.33 40.18 2jtc h ASP 175 CO 0.04 -0.31 0.52 0.50 -3.12 0.00 0.00 179.24 176.87 2jtc h LYS 176 N -0.27 0.64 0.01 3.56 3.64 -1.42 1.02 116.57 123.74 2jtc h LYS 176 Ca 0.15 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2jtc h LYS 176 Cb 0.51 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2jtc h LYS 176 CO -0.46 0.42 -0.04 0.93 -2.27 0.00 0.00 179.45 178.04 2jtc h GLU 177 N 0.66 -0.07 0.00 1.90 4.39 -0.26 -1.80 114.58 119.40 2jtc h GLU 177 Ca 0.54 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.19 2jtc h GLU 177 Cb 0.85 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2jtc h GLU 177 CO -0.40 -0.04 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.09 2jtc h LEU 178 N -0.07 0.00 -0.99 1.33 3.38 0.19 0.16 115.31 119.31 2jtc h LEU 178 Ca 0.01 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.15 2jtc h LEU 178 Cb 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 2jtc h LEU 178 CO -0.03 0.25 0.61 0.77 0.09 0.00 0.00 178.44 180.12 2jtc h SER 179 N 0.00 0.82 -0.89 -0.43 4.64 0.18 0.78 113.55 118.66 2jtc h SER 179 Ca -0.00 0.08 -0.48 0.00 -0.47 0.00 0.00 61.79 60.91 2jtc h SER 179 Cb 0.61 -0.07 -0.27 0.00 -0.31 0.00 0.00 62.40 62.35 2jtc h SER 179 CO 0.03 0.35 0.62 0.00 -0.87 0.00 0.00 176.83 176.95 2jtc n GLN 180 N -4.72 2.17 -3.95 4.77 6.02 -1.05 -4.86 117.38 115.75 2jtc n GLN 180 Ca 0.21 -2.70 -0.26 0.00 -0.01 0.00 0.00 57.00 54.24 2jtc n GLN 180 Cb 0.49 -2.06 -0.02 0.00 1.02 0.00 0.00 30.24 29.67 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 -0.91 -0.61 -3.97 1.08 3.02 0.27 -4.92 115.26 109.22 2jtc n ASN 181 Ca 0.54 -0.99 -0.31 0.00 -0.03 0.00 0.00 54.58 53.79 2jtc n ASN 181 Cb 1.40 -3.11 -0.15 0.00 -0.61 0.00 0.00 39.78 37.30 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 -6.54 1.68 1.10 3.52 -0.21 0.54 -4.95 119.66 114.80 2jtc s GLN 182 Ca 0.06 -1.25 -0.13 0.00 0.02 0.00 0.00 55.36 54.06 2jtc s GLN 182 Cb -0.03 -2.73 0.25 0.00 1.00 0.00 0.00 33.01 31.50 2jtc s GLN 182 CO 0.89 -0.68 1.05 -1.25 -2.12 0.00 0.00 175.29 173.17 2jtc s PRO 183 N 1.25 -0.40 -0.06 2.91 0.04 -1.26 -2.39 135.00 135.09 2jtc s PRO 183 Ca -0.02 0.76 0.05 0.00 0.04 0.00 0.00 61.00 61.83 2jtc s PRO 183 Cb -0.19 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2jtc s PRO 183 CO -0.08 -3.35 -0.24 0.08 0.04 0.00 0.00 177.00 173.45 2jtc s VAL 184 N -2.64 1.96 -0.33 -0.36 1.01 -0.03 -4.48 120.40 115.54 2jtc s VAL 184 Ca 0.67 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 2jtc s VAL 184 Cb -0.23 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.50 2jtc s VAL 184 CO 0.62 0.55 0.97 -0.47 0.00 0.00 0.00 175.10 176.77 2jtc s TYR 185 N -0.04 3.14 0.23 5.22 6.14 -0.47 -1.31 117.35 130.27 2jtc s TYR 185 Ca -0.06 1.00 0.10 0.00 0.64 0.00 0.00 57.07 58.75 2jtc s TYR 185 Cb -0.14 -3.58 -0.05 0.00 0.42 0.00 0.00 41.96 38.61 2jtc s TYR 185 CO 0.04 -0.74 -0.19 -0.47 0.64 0.00 0.00 175.55 174.83 2jtc s TYR 186 N 3.45 2.09 -0.29 4.97 6.14 -0.48 0.68 117.35 133.92 2jtc s TYR 186 Ca 0.41 -0.41 -0.16 0.00 0.64 0.00 0.00 57.07 57.55 2jtc s TYR 186 Cb -0.13 -0.96 0.13 0.00 0.42 0.00 0.00 41.96 41.43 2jtc s TYR 186 CO 0.16 0.54 0.91 1.14 0.64 0.00 0.00 175.55 178.93 2jtc s GLN 187 N -3.27 0.44 -0.33 4.97 -2.07 -0.85 0.53 119.66 119.08 2jtc s GLN 187 Ca 0.24 0.81 -0.19 0.00 -1.82 0.00 0.00 55.36 54.40 2jtc s GLN 187 Cb -0.05 0.16 -0.00 0.00 -1.09 0.00 0.00 33.01 32.03 2jtc s GLN 187 CO 0.11 -0.10 0.57 0.20 -1.32 0.00 0.00 175.29 174.75 2jtc s GLY 188 N 1.59 1.79 0.79 2.60 0.00 0.27 -2.56 107.32 111.80 2jtc s GLY 188 Ca -0.08 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 2jtc s GLY 188 CO -0.16 1.37 1.16 0.14 0.00 0.00 0.00 173.10 175.60 2jtc s VAL 189 N 2.53 2.15 0.00 1.40 1.01 0.45 -0.80 120.40 127.13 2jtc s VAL 189 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2jtc s VAL 189 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jtc s VAL 189 CO 0.13 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2jtc n GLY 190 N -3.25 1.73 0.08 4.51 0.00 -1.05 -3.03 105.19 104.19 2jtc n GLY 190 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 1.61 1.57 -1.93 -3.33 116.57 114.48 2jtc h LYS 191 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jtc h LYS 191 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jtc h LYS 191 CO 0.00 0.55 -0.21 1.33 -0.57 0.00 0.00 179.45 180.55 2jtc n VAL 192 N -3.08 0.44 0.00 0.50 0.24 -1.26 -5.01 118.33 110.15 2jtc n VAL 192 Ca -0.11 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2jtc n VAL 192 Cb 0.97 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 1.35 0.68 3.55 7.63 0.00 -1.25 -4.73 105.19 112.41 2jtc n GLY 193 Ca 0.05 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 1.25 0.05 -0.02 0.00 -0.99 -2.51 107.32 105.09 2jtc s GLY 194 Ca 0.00 -1.02 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 2jtc s GLY 194 CO 0.00 2.31 1.36 -1.58 0.00 0.00 0.00 173.10 175.18 2jtc s HIS 195 N 4.53 3.09 0.30 1.90 5.04 0.02 -4.36 115.29 125.81 2jtc s HIS 195 Ca 0.37 0.96 0.11 0.00 -1.54 0.00 0.00 55.06 54.96 2jtc s HIS 195 Cb -0.10 -3.62 -0.05 0.00 0.04 0.00 0.00 32.58 28.85 2jtc s HIS 195 CO 0.22 -2.19 -0.16 0.00 -2.34 0.00 0.00 174.74 170.27 2jtc s ALA 196 N 1.74 2.77 0.05 1.58 0.00 -1.26 0.95 121.76 127.59 2jtc s ALA 196 Ca 0.63 -1.93 -0.02 0.00 0.00 0.00 0.00 51.96 50.64 2jtc s ALA 196 Cb -0.33 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2jtc s ALA 196 CO 0.28 0.20 0.10 1.97 0.00 0.00 0.00 175.76 178.31 2jtc n PHE 197 N -0.66 -1.06 -4.25 0.00 1.16 0.19 -2.81 117.46 110.02 2jtc n PHE 197 Ca -0.05 -0.27 -0.19 0.00 -1.87 0.00 0.00 57.45 55.07 2jtc n PHE 197 Cb 0.61 0.12 -0.15 0.00 -1.61 0.00 0.00 39.48 38.44 2jtc n PHE 197 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2jtc s VAL 198 N -2.79 0.60 -0.28 1.97 1.01 -0.99 -1.38 120.40 118.53 2jtc s VAL 198 Ca 0.03 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 2jtc s VAL 198 Cb -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2jtc s VAL 198 CO 0.02 0.20 0.30 -0.63 0.00 0.00 0.00 175.10 174.99 2jtc s ILE 199 N 0.34 5.23 -0.13 2.22 1.01 -0.43 0.47 121.20 129.91 2jtc s ILE 199 Ca -0.05 0.33 0.18 0.00 0.00 0.00 0.00 60.65 61.11 2jtc s ILE 199 Cb -0.09 -3.65 0.44 0.00 0.01 0.00 0.00 42.46 39.17 2jtc s ILE 199 CO 0.00 0.16 1.18 -0.90 0.00 0.00 0.00 174.94 175.38 2jtc n ASP 200 N 5.23 1.68 -3.59 3.58 5.68 0.44 -0.85 116.55 128.72 2jtc n ASP 200 Ca -0.11 -2.88 -0.04 0.00 -0.50 0.00 0.00 54.79 51.26 2jtc n ASP 200 Cb 0.51 -0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 40.06 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 -2.80 -0.34 -0.02 6.12 0.00 -1.21 0.26 107.32 109.34 2jtc s GLY 201 Ca 0.36 1.33 -0.05 0.00 0.00 0.00 0.00 44.72 46.36 2jtc s GLY 201 CO -0.10 0.43 0.11 0.00 0.00 0.00 0.00 173.10 173.53 2jtc s ALA 202 N -2.56 -0.25 -0.19 3.20 0.00 0.39 -1.88 121.76 120.46 2jtc s ALA 202 Ca 0.09 0.03 0.15 0.00 0.00 0.00 0.00 51.96 52.23 2jtc s ALA 202 Cb -0.00 -0.03 0.32 0.00 0.00 0.00 0.00 23.12 23.41 2jtc s ALA 202 CO -0.05 -0.13 1.22 -3.47 0.00 0.00 0.00 175.76 173.33 2jtc n ASP 203 N 2.20 2.80 0.00 0.00 2.03 0.77 0.19 116.55 124.54 2jtc n ASP 203 Ca -0.18 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.31 2jtc n ASP 203 Cb 0.57 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jtc n GLY 204 N -0.86 1.30 2.03 0.27 0.00 -1.26 -4.68 105.19 101.99 2jtc n GLY 204 Ca 0.15 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 2.09 -3.28 1.61 1.74 -1.26 -4.58 116.66 112.98 2jtc n ARG 205 Ca 0.00 -1.07 -0.23 0.00 -0.77 0.00 0.00 57.85 55.79 2jtc n ARG 205 Cb 0.00 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 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 2.58 -4.06 -4.34 0.55 3.02 -1.26 -4.94 115.26 106.81 2jtc n ASN 206 Ca 0.45 -0.35 -0.33 0.00 -0.03 0.00 0.00 54.58 54.32 2jtc n ASN 206 Cb 0.86 -3.35 -0.15 0.00 -0.61 0.00 0.00 39.78 36.53 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 -2.95 2.76 0.20 3.10 0.08 -1.26 -4.90 117.98 115.00 2jtc s PHE 207 Ca 0.37 -0.73 0.10 0.00 0.12 0.00 0.00 56.93 56.79 2jtc s PHE 207 Cb -0.19 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 2jtc s PHE 207 CO 0.45 -0.25 -0.19 0.71 -0.10 0.00 0.00 175.22 175.84 2jtc s TYR 208 N 0.34 2.02 -0.35 0.36 1.51 -1.26 0.27 117.35 120.24 2jtc s TYR 208 Ca -0.13 -0.43 -0.18 0.00 -1.01 0.00 0.00 57.07 55.32 2jtc s TYR 208 Cb -0.16 -0.96 -0.00 0.00 -0.11 0.00 0.00 41.96 40.72 2jtc s TYR 208 CO 0.06 0.46 0.53 -1.58 -1.11 0.00 0.00 175.55 173.91 2jtc s HIS 209 N -2.19 3.17 -0.01 2.71 2.46 -0.79 -1.65 115.29 119.00 2jtc s HIS 209 Ca 0.21 0.19 0.05 0.00 0.47 0.00 0.00 55.06 55.98 2jtc s HIS 209 Cb -0.05 -2.96 -0.03 0.00 -0.13 0.00 0.00 32.58 29.41 2jtc s HIS 209 CO 0.09 -0.56 -0.13 0.08 -2.47 0.00 0.00 174.74 171.75 2jtc s VAL 210 N 2.44 3.14 -1.08 0.89 1.01 0.69 -0.42 120.40 127.07 2jtc s VAL 210 Ca 0.19 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2jtc s VAL 210 Cb -0.15 -2.30 0.28 0.00 0.00 0.00 0.00 36.38 34.21 2jtc s VAL 210 CO 0.14 0.46 1.16 -3.20 0.00 0.00 0.00 175.10 173.66 2jtc n ASN 211 N 1.86 5.57 -4.12 3.32 2.85 0.18 -2.77 115.26 122.15 2jtc n ASN 211 Ca -0.16 -3.14 -0.36 0.00 -0.11 0.00 0.00 54.58 50.81 2jtc n ASN 211 Cb 0.52 -1.31 0.09 0.00 1.24 0.00 0.00 39.78 40.32 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 2.31 -1.80 1.94 1.20 5.03 -1.26 -2.34 117.44 122.52 2jtc n TRP 212 Ca 0.24 0.38 0.02 0.00 3.03 0.00 0.00 57.50 61.18 2jtc n TRP 212 Cb 0.38 -1.48 0.13 0.00 -1.03 0.00 0.00 31.31 29.31 2jtc n TRP 212 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jtc n GLY 213 N 2.86 -0.90 0.00 6.99 0.00 -1.12 -4.78 105.19 108.23 2jtc n GLY 213 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.50 -1.85 0.00 1.61 7.02 -1.26 -4.79 117.44 117.66 2jtc n TRP 214 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 2jtc n TRP 214 Cb 0.03 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 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 1.55 2.36 6.99 0.00 -1.26 -4.84 105.19 114.99 2jtc n GLY 215 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.86 3.97 0.00 -0.02 0.00 -1.26 -4.91 105.19 105.84 2jtc n GLY 216 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 0.81 0.00 -0.07 1.61 3.14 -1.26 -4.74 118.33 117.82 2jtc n VAL 217 Ca 0.26 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.61 2jtc n VAL 217 Cb 0.50 -0.13 0.16 0.00 -1.06 0.00 0.00 33.84 33.31 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 3.46 -4.67 6.55 7.64 -1.26 -4.94 113.62 120.40 2jtc n SER 218 Ca 0.00 -2.64 -0.49 0.00 1.01 0.00 0.00 58.87 56.75 2jtc n SER 218 Cb 0.00 -0.63 -0.05 0.00 -1.01 0.00 0.00 64.21 62.52 2jtc n SER 218 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jtc n ASP 219 N 0.04 2.98 0.00 6.43 9.92 -1.26 -4.33 116.55 130.32 2jtc n ASP 219 Ca 0.22 1.04 0.00 0.00 -0.53 0.00 0.00 54.79 55.52 2jtc n ASP 219 Cb 0.91 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 2jtc n ASP 219 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jtc n GLY 220 N 3.78 0.74 3.77 0.44 0.00 -1.12 -4.94 105.19 107.86 2jtc n GLY 220 Ca 0.20 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 2jtc n GLY 220 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jtc s PHE 221 N 0.00 2.65 0.59 1.61 -0.12 -1.23 -0.22 117.98 121.27 2jtc s PHE 221 Ca 0.00 1.00 -0.06 0.00 -0.05 0.00 0.00 56.93 57.81 2jtc s PHE 221 Cb 0.00 -4.05 0.01 0.00 -0.63 0.00 0.00 43.02 38.35 2jtc s PHE 221 CO 0.00 -3.27 0.91 -0.59 -0.05 0.00 0.00 175.22 172.22 2jtc s PHE 222 N -0.64 3.27 -0.09 3.49 -0.71 -0.66 -4.73 117.98 117.91 2jtc s PHE 222 Ca 0.57 0.68 0.01 0.00 -1.04 0.00 0.00 56.93 57.15 2jtc s PHE 222 Cb -0.47 -2.74 0.02 0.00 -1.21 0.00 0.00 43.02 38.62 2jtc s PHE 222 CO 0.57 -0.83 -0.09 1.03 -1.34 0.00 0.00 175.22 174.56 2jtc s ARG 223 N -5.01 1.59 -0.16 1.99 0.52 -1.26 -4.80 118.95 111.82 2jtc s ARG 223 Ca 0.54 -0.32 0.14 0.00 -0.52 0.00 0.00 55.73 55.57 2jtc s ARG 223 Cb -0.11 -1.51 0.36 0.00 0.52 0.00 0.00 34.95 34.22 2jtc s ARG 223 CO 0.46 -0.15 1.18 1.28 0.02 0.00 0.00 175.30 178.09 2jtc n LEU 224 N 4.47 2.42 -0.05 2.53 7.99 -1.26 -4.51 117.00 128.59 2jtc n LEU 224 Ca -0.17 -3.43 -0.00 0.00 -0.01 0.00 0.00 56.01 52.39 2jtc n LEU 224 Cb 0.51 -0.45 -0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2jtc n LEU 224 CO 0.20 1.07 -0.03 0.44 -1.51 0.00 0.00 177.39 177.56 2jtc h ASP 225 N 0.58 0.00 0.00 -1.43 3.32 -2.00 -3.48 116.42 113.41 2jtc h ASP 225 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2jtc h ASP 225 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2jtc h ASP 225 CO 0.00 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 2jtc n ALA 226 N -2.79 0.46 -1.98 3.45 0.00 -1.26 -5.11 120.51 113.29 2jtc n ALA 226 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2jtc n ALA 226 Cb 0.02 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.55 2jtc n ALA 226 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jtc s LEU 227 N 0.00 3.07 -0.22 0.00 2.34 -1.26 -4.95 118.68 117.66 2jtc s LEU 227 Ca 0.00 -0.17 -0.11 0.00 0.06 0.00 0.00 54.13 53.92 2jtc s LEU 227 Cb 0.00 -2.40 -0.18 0.00 -0.56 0.00 0.00 46.19 43.05 2jtc s LEU 227 CO 0.00 -1.58 -0.02 0.59 -1.06 0.00 0.00 176.35 174.28 2jtc n ASN 228 N -2.66 1.98 -4.77 1.48 3.02 -1.26 -4.68 115.26 108.36 2jtc n ASN 228 Ca 0.12 0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.50 2jtc n ASN 228 Cb 0.60 -0.77 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 2jtc n ASN 228 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2jtc s PRO 229 N -2.48 4.50 0.00 3.52 0.04 -1.26 -4.64 135.00 134.68 2jtc s PRO 229 Ca -0.32 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2jtc s PRO 229 Cb 0.09 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2jtc s PRO 229 CO 0.60 0.13 0.09 0.43 0.04 0.00 0.00 177.00 178.30 2jtc n SER 230 N 0.78 0.18 -4.54 6.66 7.64 -1.26 -4.92 113.62 118.16 2jtc n SER 230 Ca 0.01 -0.58 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 2jtc n SER 230 Cb 0.47 0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 64.43 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jtc s ALA 231 N -0.79 2.80 0.37 -0.43 0.00 -1.26 -4.94 121.76 117.51 2jtc s ALA 231 Ca 0.00 -2.07 0.06 0.00 0.00 0.00 0.00 51.96 49.95 2jtc s ALA 231 Cb 0.00 -4.38 -0.03 0.00 0.00 0.00 0.00 23.12 18.71 2jtc s ALA 231 CO 0.00 -3.43 0.22 -0.51 0.00 0.00 0.00 175.76 172.04 2jtc s LEU 232 N 4.90 1.85 0.00 0.00 1.43 -1.26 -4.86 118.68 120.74 2jtc s LEU 232 Ca 0.41 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 2jtc s LEU 232 Cb -0.03 0.29 0.00 0.00 0.03 0.00 0.00 46.19 46.47 2jtc s LEU 232 CO -0.03 -1.03 0.00 0.61 0.23 0.00 0.00 176.35 176.14 2jtc n GLY 233 N -0.77 0.57 0.08 -3.19 0.00 -1.26 -4.93 105.19 95.70 2jtc n GLY 233 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 1.47 -2.75 2.61 -1.04 -1.26 -4.99 114.28 106.32 2jtc n THR 234 Ca 0.00 0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.94 2jtc n THR 234 Cb 0.00 -2.35 0.03 0.00 -1.82 0.00 0.00 70.33 66.19 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 -4.64 1.69 -0.42 3.41 0.00 -1.26 -5.07 107.32 101.04 2jtc s GLY 235 Ca -0.23 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.37 2jtc s GLY 235 CO 0.34 -0.91 0.15 -0.32 0.00 0.00 0.00 173.10 172.37 2jtc s GLY 236 N -4.33 2.15 0.00 0.20 0.00 -1.26 -4.86 107.32 99.21 2jtc s GLY 236 Ca 0.53 -2.83 0.00 0.00 0.00 0.00 0.00 44.72 42.43 2jtc s GLY 236 CO 0.39 0.98 0.00 0.61 0.00 0.00 0.00 173.10 175.08 2jtc n GLY 237 N 3.84 -0.42 0.16 0.20 0.00 -1.26 -5.01 105.19 102.70 2jtc n GLY 237 Ca 0.04 0.38 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 2jtc n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc h ALA 238 N 1.79 -0.30 -2.34 4.61 0.00 -1.95 -3.49 119.26 117.58 2jtc h ALA 238 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2jtc h ALA 238 Cb 0.00 0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.93 2jtc h ALA 238 CO 0.00 -0.34 -0.12 0.41 0.00 0.00 0.00 179.25 179.20 2jtc n GLY 239 N 0.63 0.44 2.33 0.00 0.00 -1.26 -4.41 105.19 102.92 2jtc n GLY 239 Ca -0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.93 -0.97 3.17 -0.02 0.00 -1.26 -5.04 105.19 100.14 2jtc n GLY 240 Ca -0.03 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 2jtc n GLY 240 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jtc s PHE 241 N -2.38 2.23 -0.73 1.61 5.36 -1.26 -4.98 117.98 117.83 2jtc s PHE 241 Ca 0.08 -0.86 0.04 0.00 -0.96 0.00 0.00 56.93 55.23 2jtc s PHE 241 Cb -0.02 -1.51 0.26 0.00 -0.34 0.00 0.00 43.02 41.40 2jtc s PHE 241 CO 0.44 -0.35 0.90 -1.71 -1.46 0.00 0.00 175.22 173.04 2jtc n ASN 242 N 3.50 4.32 0.11 6.13 4.05 -1.25 -4.07 115.26 128.05 2jtc n ASN 242 Ca -0.20 -3.44 -0.24 0.00 0.45 0.00 0.00 54.58 51.16 2jtc n ASN 242 Cb 0.53 -0.80 -0.15 0.00 1.23 0.00 0.00 39.78 40.58 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 4.46 0.53 -4.21 8.20 0.00 -1.87 -3.47 103.07 106.71 2jtc h GLY 243 Ca 0.20 -1.36 -0.28 0.00 0.00 0.00 0.00 47.33 45.89 2jtc h GLY 243 CO 0.94 1.19 -0.73 -0.47 0.00 0.00 0.00 176.54 177.47 2jtc s TYR 244 N -2.56 0.82 -0.16 5.60 5.04 -1.25 -4.99 117.35 119.85 2jtc s TYR 244 Ca -0.12 -0.61 -0.18 0.00 -2.44 0.00 0.00 57.07 53.72 2jtc s TYR 244 Cb 0.04 -0.48 0.05 0.00 0.35 0.00 0.00 41.96 41.92 2jtc s TYR 244 CO 0.90 -0.07 0.49 -1.14 -1.34 0.00 0.00 175.55 174.39 2jtc s GLN 245 N -2.25 0.62 0.05 4.97 0.74 -1.26 0.17 119.66 122.71 2jtc s GLN 245 Ca -0.02 0.56 -0.27 0.00 0.05 0.00 0.00 55.36 55.68 2jtc s GLN 245 Cb -0.06 0.30 0.09 0.00 1.10 0.00 0.00 33.01 34.44 2jtc s GLN 245 CO -0.01 -0.10 0.90 -1.54 -0.55 0.00 0.00 175.29 174.00 2jtc s SER 246 N -0.01 -0.31 0.13 6.67 1.04 -1.06 -1.50 113.70 118.66 2jtc s SER 246 Ca -0.02 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 2jtc s SER 246 Cb -0.03 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2jtc s SER 246 CO 0.02 -0.73 0.07 0.00 0.98 0.00 0.00 173.24 173.58 2jtc s ALA 247 N -3.20 0.82 -0.23 5.32 0.00 0.31 -2.01 121.76 122.77 2jtc s ALA 247 Ca 0.07 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.60 2jtc s ALA 247 Cb -0.01 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.01 2jtc s ALA 247 CO -0.05 -0.50 -0.12 0.08 0.00 0.00 0.00 175.76 175.17 2jtc s VAL 248 N -4.04 2.38 0.03 0.00 1.01 0.22 0.22 120.40 120.22 2jtc s VAL 248 Ca 0.24 -1.21 0.06 0.00 0.00 0.00 0.00 61.98 61.07 2jtc s VAL 248 Cb 0.07 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2jtc s VAL 248 CO 0.02 0.23 -0.16 0.68 0.00 0.00 0.00 175.10 175.86 2jtc s VAL 249 N 1.24 2.94 0.00 2.92 -7.23 -0.60 -1.36 120.40 118.31 2jtc s VAL 249 Ca -0.01 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 2jtc s VAL 249 Cb -0.17 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2jtc s VAL 249 CO -0.07 0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 2jtc n GLY 250 N 1.55 0.54 3.28 2.32 0.00 -1.26 -2.98 105.19 108.64 2jtc n GLY 250 Ca -0.16 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.21 5.02 -0.03 -0.61 1.01 -1.26 -2.43 121.20 120.69 2jtc s ILE 251 Ca 0.00 -2.06 -0.29 0.00 0.00 0.00 0.00 60.65 58.30 2jtc s ILE 251 Cb 0.00 -4.19 0.09 0.00 0.01 0.00 0.00 42.46 38.37 2jtc s ILE 251 CO 0.00 -0.91 0.79 -1.59 0.00 0.00 0.00 174.94 173.22 2jtc s LYS 252 N 0.85 0.94 0.00 2.79 -2.85 -1.26 -4.94 119.74 115.27 2jtc s LYS 252 Ca 0.10 -0.02 0.29 0.00 -1.00 0.00 0.00 55.97 55.34 2jtc s LYS 252 Cb -0.21 0.44 1.71 0.00 -2.06 0.00 0.00 37.83 37.71 2jtc s LYS 252 CO -0.03 -0.34 2.05 -0.35 0.10 0.00 0.00 175.35 176.78