#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 2.53 -0.09 3.69 0.04 -1.26 -4.60 135.00 135.31 2jtc s PRO 2 Ca 0.00 0.46 -0.09 0.00 0.04 0.00 0.00 61.00 61.41 2jtc s PRO 2 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2jtc s PRO 2 CO 0.00 -1.27 0.21 0.08 0.04 0.00 0.00 177.00 176.07 2jtc s VAL 3 N -3.33 5.38 -0.04 -0.36 1.01 -1.26 -3.76 120.40 118.04 2jtc s VAL 3 Ca 0.59 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2jtc s VAL 3 Cb -0.12 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.80 2jtc s VAL 3 CO 0.52 0.60 -0.01 -0.69 0.00 0.00 0.00 175.10 175.53 2jtc s VAL 4 N -1.01 0.27 0.72 2.92 1.01 0.42 -4.85 120.40 119.89 2jtc s VAL 4 Ca 0.17 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 2jtc s VAL 4 Cb -0.13 -0.37 0.17 0.00 0.00 0.00 0.00 36.38 36.05 2jtc s VAL 4 CO 0.06 0.18 0.85 0.29 0.00 0.00 0.00 175.10 176.48 2jtc n LYS 5 N 4.31 -1.44 -2.45 2.72 4.76 -1.26 0.19 118.16 124.99 2jtc n LYS 5 Ca -0.22 -1.32 -0.42 0.00 -2.87 0.00 0.00 58.31 53.48 2jtc n LYS 5 Cb 0.50 -0.99 -0.03 0.00 -1.84 0.00 0.00 35.03 32.67 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 -4.02 6.20 0.14 4.39 0.15 -1.21 -3.50 113.70 115.85 2jtc s SER 6 Ca 0.50 0.18 -0.18 0.00 0.70 0.00 0.00 55.95 57.15 2jtc s SER 6 Cb -0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2jtc s SER 6 CO 0.36 -1.67 1.75 -0.07 1.20 0.00 0.00 173.24 174.81 2jtc h LEU 7 N 12.85 0.11 -0.85 3.45 3.38 0.32 0.54 115.31 135.11 2jtc h LEU 7 Ca -0.26 0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.82 2jtc h LEU 7 Cb 1.08 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 2jtc h LEU 7 CO 1.19 0.10 0.50 -0.07 0.09 0.00 0.00 178.44 180.25 2jtc h LEU 8 N 0.22 0.74 -0.45 1.67 3.38 -1.90 -0.58 115.31 118.39 2jtc h LEU 8 Ca 0.12 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2jtc h LEU 8 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jtc h LEU 8 CO -0.12 0.43 -0.13 0.44 0.09 0.00 0.00 178.44 179.14 2jtc h ASP 9 N 0.85 0.90 0.00 -0.43 5.19 -1.48 0.54 116.42 121.99 2jtc h ASP 9 Ca 0.40 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2jtc h ASP 9 Cb 0.32 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2jtc h ASP 9 CO -0.23 1.06 0.06 -1.54 -3.12 0.00 0.00 179.24 175.48 2jtc n SER 10 N -4.24 0.50 -0.35 6.45 3.41 0.18 0.18 113.62 119.74 2jtc n SER 10 Ca -0.00 0.71 0.08 0.00 -0.26 0.00 0.00 58.87 59.40 2jtc n SER 10 Cb 0.40 -0.76 0.17 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.19 1.54 -4.10 4.33 5.02 -0.74 -4.94 118.16 117.07 2jtc n LYS 11 Ca -0.01 -2.85 -0.34 0.00 -2.02 0.00 0.00 58.31 53.09 2jtc n LYS 11 Cb 0.09 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 2jtc n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtc n GLY 12 N -1.25 -0.44 3.52 0.72 0.00 0.13 -4.75 105.19 103.11 2jtc n GLY 12 Ca 0.18 0.09 -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 -3.11 4.71 -0.33 -0.61 1.01 0.18 -3.22 121.20 119.84 2jtc s ILE 13 Ca 0.68 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 2jtc s ILE 13 Cb -0.38 -4.30 0.11 0.00 0.01 0.00 0.00 42.46 37.90 2jtc s ILE 13 CO 0.83 -0.72 0.13 -1.00 0.00 0.00 0.00 174.94 174.19 2jtc s HIS 14 N 3.11 1.44 0.50 3.97 3.76 0.75 -4.53 115.29 124.29 2jtc s HIS 14 Ca 0.26 -1.69 0.08 0.00 -0.15 0.00 0.00 55.06 53.56 2jtc s HIS 14 Cb -0.14 -1.54 0.04 0.00 1.11 0.00 0.00 32.58 32.05 2jtc s HIS 14 CO 0.20 -0.85 0.59 0.71 -0.85 0.00 0.00 174.74 174.54 2jtc s TYR 15 N 1.47 2.09 0.11 1.40 1.51 -1.26 -3.52 117.35 119.15 2jtc s TYR 15 Ca 0.11 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2jtc s TYR 15 Cb -0.19 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 2jtc s TYR 15 CO -0.21 -0.65 0.14 0.09 -1.11 0.00 0.00 175.55 173.81 2jtc n ASN 16 N -1.93 -0.38 0.00 2.29 4.13 -1.26 -4.98 115.26 113.14 2jtc n ASN 16 Ca 0.09 -1.59 0.00 0.00 1.68 0.00 0.00 54.58 54.75 2jtc n ASN 16 Cb 0.61 0.72 0.00 0.00 -1.54 0.00 0.00 39.78 39.58 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jtc n GLN 17 N -0.18 4.89 -0.03 3.52 6.02 -1.26 -4.79 117.38 125.55 2jtc n GLN 17 Ca 0.01 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 56.91 2jtc n GLN 17 Cb 0.18 -0.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.97 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 0.71 -0.07 0.00 1.08 0.00 -1.26 -1.98 105.19 103.67 2jtc n GLY 18 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.82 0.00 0.00 1.61 4.05 -1.26 -3.52 115.26 113.32 2jtc n ASN 19 Ca -0.09 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.02 2jtc n ASN 19 Cb 0.59 0.00 0.50 0.00 1.23 0.00 0.00 39.78 42.10 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 0.69 0.04 1.20 -0.04 -1.26 -2.70 135.00 132.92 2jtc n PRO 20 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2jtc n PRO 20 Cb 0.00 -1.38 0.02 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.64 -0.57 0.54 0.05 -1.87 -3.04 116.97 112.72 2jtc h TYR 21 Ca 0.00 -0.28 -0.03 0.00 0.05 0.00 0.00 58.73 58.48 2jtc h TYR 21 Cb 0.00 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 2jtc h TYR 21 CO 0.00 1.04 0.03 0.27 -1.05 0.00 0.00 178.16 178.46 2jtc n ASN 22 N -3.86 5.43 0.00 3.88 6.94 -1.10 -4.29 115.26 122.26 2jtc n ASN 22 Ca -0.05 -2.92 0.11 0.00 -0.02 0.00 0.00 54.58 51.70 2jtc n ASN 22 Cb 0.71 -0.69 0.60 0.00 -2.36 0.00 0.00 39.78 38.03 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 0.51 0.00 0.00 -4.53 4.77 -1.15 -2.79 117.00 113.81 2jtc n LEU 23 Ca 0.28 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2jtc n LEU 23 Cb 1.18 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2jtc n LEU 23 CO 0.33 -0.03 0.06 0.18 -1.33 0.00 0.00 177.39 176.59 2jtc n LEU 24 N -1.11 0.24 -4.64 2.23 4.77 -1.26 -5.02 117.00 112.21 2jtc n LEU 24 Ca 0.14 -0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 55.42 2jtc n LEU 24 Cb 0.11 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.37 2jtc n LEU 24 CO 0.13 0.06 0.63 0.42 -1.33 0.00 0.00 177.39 177.30 2jtc s THR 25 N -0.33 2.35 0.29 -5.08 -4.23 -1.12 -4.86 115.64 102.66 2jtc s THR 25 Ca 0.00 0.11 -0.29 0.00 -1.18 0.00 0.00 61.69 60.33 2jtc s THR 25 Cb 0.00 -2.37 -0.10 0.00 1.34 0.00 0.00 72.50 71.37 2jtc s THR 25 CO 0.00 -0.15 1.21 -2.16 -0.54 0.00 0.00 174.62 172.98 2jtc s PRO 26 N -4.74 4.49 0.34 3.99 0.04 -1.26 -4.63 135.00 133.23 2jtc s PRO 26 Ca 0.66 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.54 2jtc s PRO 26 Cb -0.21 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 2jtc s PRO 26 CO 0.59 -0.02 0.79 0.08 0.04 0.00 0.00 177.00 178.49 2jtc s VAL 27 N -0.98 4.59 0.34 -0.36 1.01 -1.26 -0.99 120.40 122.75 2jtc s VAL 27 Ca 0.48 1.12 -0.26 0.00 0.00 0.00 0.00 61.98 63.32 2jtc s VAL 27 Cb -0.36 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 2jtc s VAL 27 CO 0.46 -0.19 0.99 -0.63 0.00 0.00 0.00 175.10 175.73 2jtc s ILE 28 N -2.00 3.99 0.00 2.22 1.01 -0.04 -4.85 121.20 121.54 2jtc s ILE 28 Ca 0.55 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.86 2jtc s ILE 28 Cb -0.10 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2jtc s ILE 28 CO 0.17 0.14 0.00 -0.62 0.00 0.00 0.00 174.94 174.63 2jtc n GLU 29 N 0.48 1.78 -4.48 2.79 1.02 -0.64 -1.39 120.64 120.21 2jtc n GLU 29 Ca 0.02 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 2jtc n GLU 29 Cb 0.49 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.90 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 -1.70 1.87 0.15 3.49 1.02 0.81 -4.88 119.74 120.50 2jtc s LYS 30 Ca 0.00 -1.85 0.08 0.00 0.02 0.00 0.00 55.97 54.22 2jtc s LYS 30 Cb 0.00 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 2jtc s LYS 30 CO 0.00 0.18 -0.11 0.08 -0.92 0.00 0.00 175.35 174.57 2jtc s VAL 31 N -2.56 3.18 -0.06 3.17 1.01 -1.21 -4.22 120.40 119.70 2jtc s VAL 31 Ca 0.33 -1.51 -0.27 0.00 0.00 0.00 0.00 61.98 60.53 2jtc s VAL 31 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2jtc s VAL 31 CO 0.17 -0.01 0.85 -0.75 0.00 0.00 0.00 175.10 175.37 2jtc s LYS 32 N -2.52 4.45 0.01 2.72 2.20 -1.20 -4.75 119.74 120.66 2jtc s LYS 32 Ca 0.23 1.14 -0.30 0.00 -0.36 0.00 0.00 55.97 56.68 2jtc s LYS 32 Cb -0.10 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 2jtc s LYS 32 CO 0.14 -0.08 1.33 -1.25 -0.36 0.00 0.00 175.35 175.13 2jtc s PRO 33 N 1.23 4.32 0.00 4.03 0.04 -1.26 -2.64 135.00 140.72 2jtc s PRO 33 Ca 0.44 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2jtc s PRO 33 Cb -0.19 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2jtc s PRO 33 CO 0.21 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2jtc n GLY 34 N 3.51 0.95 1.86 0.56 0.00 -1.26 -5.07 105.19 105.74 2jtc n GLY 34 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2jtc n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jtc n GLU 35 N -1.52 0.30 -1.89 1.61 2.13 -1.08 -5.17 120.64 115.02 2jtc n GLU 35 Ca 0.00 -1.78 -0.30 0.00 0.66 0.00 0.00 57.16 55.74 2jtc n GLU 35 Cb 0.00 1.55 0.21 0.00 0.27 0.00 0.00 31.44 33.47 2jtc n GLU 35 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2jtc s GLN 36 N -2.65 0.25 -0.03 5.31 -0.21 -1.26 -4.87 119.66 116.20 2jtc s GLN 36 Ca 0.20 -0.51 -0.22 0.00 0.02 0.00 0.00 55.36 54.85 2jtc s GLN 36 Cb 0.00 -1.81 -0.05 0.00 1.00 0.00 0.00 33.01 32.16 2jtc s GLN 36 CO 0.14 -2.67 0.67 0.45 -2.12 0.00 0.00 175.29 171.76 2jtc s SER 37 N -4.91 7.01 -0.11 5.90 0.15 -1.26 -4.47 113.70 116.01 2jtc s SER 37 Ca 0.76 1.21 0.16 0.00 0.70 0.00 0.00 55.95 58.78 2jtc s SER 37 Cb -0.02 -2.40 0.25 0.00 -1.71 0.00 0.00 66.02 62.13 2jtc s SER 37 CO 0.54 -0.01 1.13 0.49 1.20 0.00 0.00 173.24 176.58 2jtc n PHE 38 N 3.25 0.00 -2.19 3.44 3.72 -1.26 -5.04 117.46 119.38 2jtc n PHE 38 Ca -0.04 -0.91 -0.35 0.00 -0.05 0.00 0.00 57.45 56.10 2jtc n PHE 38 Cb 0.51 -0.13 0.01 0.00 -0.94 0.00 0.00 39.48 38.93 2jtc n PHE 38 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2jtc s VAL 39 N -2.57 3.05 0.00 -4.37 1.01 -1.26 -2.38 120.40 113.88 2jtc s VAL 39 Ca 0.27 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2jtc s VAL 39 Cb 0.24 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2jtc s VAL 39 CO 0.03 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2jtc n GLY 40 N 0.21 0.95 3.71 4.51 0.00 -0.48 -4.93 105.19 109.16 2jtc n GLY 40 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 4.33 -0.32 1.61 -1.52 -1.00 -4.82 119.66 117.88 2jtc s GLN 41 Ca 0.00 0.48 -0.29 0.00 -1.95 0.00 0.00 55.36 53.60 2jtc s GLN 41 Cb 0.00 -3.45 -0.00 0.00 -0.22 0.00 0.00 33.01 29.33 2jtc s GLN 41 CO 0.00 0.11 1.47 -1.01 -0.25 0.00 0.00 175.29 175.61 2jtc s HIS 42 N 0.77 2.36 0.86 0.91 3.76 -1.26 -0.86 115.29 121.83 2jtc s HIS 42 Ca 0.27 0.70 -0.14 0.00 -0.15 0.00 0.00 55.06 55.73 2jtc s HIS 42 Cb -0.15 -4.09 0.01 0.00 1.11 0.00 0.00 32.58 29.45 2jtc s HIS 42 CO 0.11 -2.22 0.49 0.00 -0.85 0.00 0.00 174.74 172.26 2jtc n ALA 43 N 8.52 -2.07 -1.65 -1.40 0.00 -0.16 -4.87 120.51 118.87 2jtc n ALA 43 Ca 0.17 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 2jtc n ALA 43 Cb 0.47 -1.84 0.14 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.19 1.98 0.06 0.00 0.00 -1.01 -4.64 121.76 115.96 2jtc s ALA 44 Ca 0.61 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 2jtc s ALA 44 Cb -0.27 -2.97 -0.30 0.00 0.00 0.00 0.00 23.12 19.58 2jtc s ALA 44 CO 0.63 -2.24 1.09 1.79 0.00 0.00 0.00 175.76 177.03 2jtc h THR 45 N -1.48 1.43 0.00 0.00 1.35 -1.71 -3.42 112.91 109.08 2jtc h THR 45 Ca -0.48 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.41 2jtc h THR 45 Cb 1.32 2.96 0.00 0.00 -1.73 0.00 0.00 68.15 70.69 2jtc h THR 45 CO 0.58 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 177.33 2jtc n GLY 46 N 1.59 2.58 0.24 5.82 0.00 -1.24 -4.40 105.19 109.77 2jtc n GLY 46 Ca -0.11 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.60 -0.59 1.61 4.64 -1.89 0.40 113.55 117.12 2jtc h SER 47 Ca 0.00 0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.52 2jtc h SER 47 Cb 0.00 0.27 -0.11 0.00 -0.31 0.00 0.00 62.40 62.25 2jtc h SER 47 CO 0.00 -0.25 -0.32 0.58 -0.87 0.00 0.00 176.83 175.97 2jtc h VAL 48 N -0.27 0.18 0.19 0.95 2.07 -1.82 2.13 116.25 119.69 2jtc h VAL 48 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2jtc h VAL 48 Cb 0.39 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2jtc h VAL 48 CO -0.25 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.25 2jtc h ALA 49 N 1.03 -0.25 -0.18 1.67 0.00 -1.43 -1.08 119.26 119.02 2jtc h ALA 49 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2jtc h ALA 49 Cb 0.55 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jtc h ALA 49 CO -0.67 -0.63 -0.06 1.15 0.00 0.00 0.00 179.25 179.04 2jtc h THR 50 N -0.28 1.15 -0.48 0.00 2.02 0.15 0.70 112.91 116.18 2jtc h THR 50 Ca -0.03 -0.63 -0.10 0.00 0.77 0.00 0.00 66.41 66.42 2jtc h THR 50 Cb 0.21 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2jtc h THR 50 CO 0.04 0.20 -0.10 0.00 0.37 0.00 0.00 175.52 176.03 2jtc h ALA 51 N 1.69 0.65 0.13 6.16 0.00 0.39 -1.61 119.26 126.67 2jtc h ALA 51 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2jtc h ALA 51 Cb 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jtc h ALA 51 CO 0.01 0.55 -0.06 1.15 0.00 0.00 0.00 179.25 180.89 2jtc h THR 52 N 0.76 0.89 -0.99 0.00 2.02 -0.43 -3.06 112.91 112.10 2jtc h THR 52 Ca 0.12 -1.22 0.19 0.00 0.77 0.00 0.00 66.41 66.26 2jtc h THR 52 Cb 0.65 1.52 -0.10 0.00 -1.74 0.00 0.00 68.15 68.49 2jtc h THR 52 CO 0.04 0.24 0.61 0.00 0.37 0.00 0.00 175.52 176.79 2jtc h ALA 53 N -0.30 1.73 -0.12 6.16 0.00 0.35 1.15 119.26 128.23 2jtc h ALA 53 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jtc h ALA 53 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jtc h ALA 53 CO 0.03 -0.08 0.08 1.96 0.00 0.00 0.00 179.25 181.24 2jtc h GLN 54 N 0.74 0.16 0.00 0.00 4.20 -1.34 1.33 115.11 120.20 2jtc h GLN 54 Ca 0.56 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.23 2jtc h GLN 54 Cb 0.90 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 2jtc h GLN 54 CO -0.34 0.13 -0.12 0.82 -0.67 0.00 0.00 178.83 178.65 2jtc h ILE 55 N 0.15 0.53 -0.15 2.54 2.04 -0.60 0.48 117.51 122.51 2jtc h ILE 55 Ca 0.04 -0.57 -0.22 0.00 1.00 0.00 0.00 64.86 65.11 2jtc h ILE 55 Cb 0.00 1.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2jtc h ILE 55 CO -0.01 0.12 -0.77 0.24 0.00 0.00 0.00 178.15 177.73 2jtc h MET 56 N 0.00 0.77 -0.40 2.37 2.86 0.41 -2.62 114.93 118.32 2jtc h MET 56 Ca -0.00 -0.63 -0.11 0.00 -2.06 0.00 0.00 59.70 56.90 2jtc h MET 56 Cb 0.37 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2jtc h MET 56 CO 0.02 1.23 -0.18 -0.22 1.06 0.00 0.00 176.91 178.82 2jtc h LYS 57 N 0.52 0.83 -0.79 1.72 1.63 0.33 2.21 116.57 123.02 2jtc h LYS 57 Ca -0.05 -0.36 0.16 0.00 -0.85 0.00 0.00 60.65 59.56 2jtc h LYS 57 Cb 1.40 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.95 2jtc h LYS 57 CO 0.16 0.99 0.53 -0.92 -3.45 0.00 0.00 179.45 176.75 2jtc h TYR 58 N 0.64 0.48 0.00 1.91 5.03 0.00 -2.22 116.97 122.80 2jtc h TYR 58 Ca 0.09 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 2jtc h TYR 58 Cb 0.73 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 2jtc h TYR 58 CO 0.06 0.17 -1.67 0.72 -1.32 0.00 0.00 178.16 176.11 2jtc n HIS 59 N -4.48 0.00 -4.13 -3.82 8.25 -1.00 -4.98 115.22 105.06 2jtc n HIS 59 Ca 0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.29 2jtc n HIS 59 Cb 0.58 -0.35 -0.06 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.03 -0.32 0.02 0.41 0.23 0.74 -4.85 115.26 109.47 2jtc n ASN 60 Ca -0.04 -1.17 -0.01 0.00 -0.53 0.00 0.00 54.58 52.83 2jtc n ASN 60 Cb 0.41 -1.45 -0.00 0.00 -2.08 0.00 0.00 39.78 36.66 2jtc n ASN 60 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2jtc h TYR 61 N -1.70 -0.05 -2.50 -2.53 3.20 -1.90 -3.42 116.97 108.06 2jtc h TYR 61 Ca -0.61 -0.00 -0.54 0.00 3.14 0.00 0.00 58.73 60.71 2jtc h TYR 61 Cb 1.28 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.53 2jtc h TYR 61 CO 0.44 -0.03 1.26 -1.25 -1.64 0.00 0.00 178.16 176.94 2jtc s PRO 62 N -1.92 3.10 0.50 1.82 0.04 -1.26 -4.78 135.00 132.50 2jtc s PRO 62 Ca -0.01 0.98 0.29 0.00 0.04 0.00 0.00 61.00 62.30 2jtc s PRO 62 Cb 0.00 -4.24 1.18 0.00 0.04 0.00 0.00 34.50 31.48 2jtc s PRO 62 CO 0.02 -2.15 1.92 -0.91 0.04 0.00 0.00 177.00 175.92 2jtc h ASN 63 N 13.23 0.00 -4.26 6.66 4.21 -1.82 -3.39 115.58 130.20 2jtc h ASN 63 Ca -0.29 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 56.87 2jtc h ASN 63 Cb 1.15 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.10 2jtc h ASN 63 CO 1.12 0.11 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.86 2jtc s LYS 64 N -3.70 0.62 0.40 0.81 2.20 -1.26 0.25 119.74 119.06 2jtc s LYS 64 Ca 0.01 -0.50 -0.26 0.00 -0.36 0.00 0.00 55.97 54.86 2jtc s LYS 64 Cb 0.10 -0.54 -0.10 0.00 -1.51 0.00 0.00 37.83 35.77 2jtc s LYS 64 CO 0.59 0.14 1.35 0.41 -0.36 0.00 0.00 175.35 177.48 2jtc n GLY 65 N 2.29 0.79 0.13 5.54 0.00 -0.85 -4.85 105.19 108.23 2jtc n GLY 65 Ca -0.17 0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 2.39 0.61 -7.22 0.99 6.46 -1.45 -3.36 115.31 113.72 2jtc h LEU 66 Ca -0.49 -0.92 -0.10 0.00 -0.12 0.00 0.00 57.88 56.25 2jtc h LEU 66 Cb 1.28 -0.20 -0.25 0.00 -0.73 0.00 0.00 40.66 40.76 2jtc h LEU 66 CO 0.61 1.63 -0.22 -0.75 -0.62 0.00 0.00 178.44 179.10 2jtc s LYS 67 N -2.52 0.48 1.03 1.25 2.20 -0.84 -4.53 119.74 116.81 2jtc s LYS 67 Ca -0.14 0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 56.11 2jtc s LYS 67 Cb 0.04 0.12 0.21 0.00 -1.51 0.00 0.00 37.83 36.68 2jtc s LYS 67 CO 0.86 -0.11 1.07 0.16 -0.36 0.00 0.00 175.35 176.97 2jtc s ASP 68 N 0.89 2.19 -0.01 1.43 1.47 -1.26 -3.66 116.67 117.71 2jtc s ASP 68 Ca -0.05 1.61 -0.06 0.00 1.18 0.00 0.00 52.55 55.23 2jtc s ASP 68 Cb -0.06 -2.28 0.00 0.00 -0.34 0.00 0.00 42.92 40.25 2jtc s ASP 68 CO -0.07 -3.47 0.12 -0.47 0.68 0.00 0.00 175.17 171.96 2jtc s TYR 69 N -2.68 -0.00 0.02 2.11 6.14 -0.28 -4.79 117.35 117.87 2jtc s TYR 69 Ca 0.66 0.00 -0.10 0.00 0.64 0.00 0.00 57.07 58.28 2jtc s TYR 69 Cb -0.22 -0.03 0.01 0.00 0.42 0.00 0.00 41.96 42.14 2jtc s TYR 69 CO 0.60 -0.20 0.19 -0.08 0.64 0.00 0.00 175.55 176.70 2jtc s THR 70 N -0.88 0.09 0.06 4.34 -1.32 -1.26 0.50 115.64 117.17 2jtc s THR 70 Ca -0.10 -0.75 -0.27 0.00 -1.21 0.00 0.00 61.69 59.37 2jtc s THR 70 Cb -0.06 -0.68 0.07 0.00 -1.51 0.00 0.00 72.50 70.33 2jtc s THR 70 CO 0.01 -0.41 0.65 -0.72 -2.21 0.00 0.00 174.62 171.93 2jtc s TYR 71 N -1.91 -0.59 -0.04 9.09 1.13 -0.63 -4.96 117.35 119.45 2jtc s TYR 71 Ca -0.10 0.69 -0.15 0.00 -1.41 0.00 0.00 57.07 56.09 2jtc s TYR 71 Cb -0.04 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.26 2jtc s TYR 71 CO -0.00 -0.73 0.42 0.99 -2.51 0.00 0.00 175.55 173.71 2jtc s THR 72 N -2.57 5.08 0.64 -3.49 2.01 -1.26 -0.41 115.64 115.64 2jtc s THR 72 Ca -0.04 0.85 -0.17 0.00 0.31 0.00 0.00 61.69 62.63 2jtc s THR 72 Cb -0.01 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2jtc s THR 72 CO -0.03 0.51 0.82 -0.11 -0.69 0.00 0.00 174.62 175.13 2jtc n LEU 73 N 2.33 2.78 -4.76 4.42 7.94 0.43 -4.87 117.00 125.27 2jtc n LEU 73 Ca -0.12 0.73 -0.41 0.00 -1.11 0.00 0.00 56.01 55.09 2jtc n LEU 73 Cb 0.52 -1.33 -0.01 0.00 0.53 0.00 0.00 43.42 43.13 2jtc n LEU 73 CO 0.39 -2.29 1.16 -0.55 -1.11 0.00 0.00 177.39 174.99 2jtc s SER 74 N -1.36 6.46 0.00 1.96 0.15 -1.26 -4.80 113.70 114.84 2jtc s SER 74 Ca 0.73 2.90 0.08 0.00 0.70 0.00 0.00 55.95 60.37 2jtc s SER 74 Cb -0.39 -2.64 0.41 0.00 -1.71 0.00 0.00 66.02 61.68 2jtc s SER 74 CO 0.50 -0.82 1.16 -0.24 1.20 0.00 0.00 173.24 175.04 2jtc n SER 75 N 1.57 0.00 -0.13 5.45 2.88 -1.26 -1.03 113.62 121.10 2jtc n SER 75 Ca 0.05 0.23 0.11 0.00 -1.33 0.00 0.00 58.87 57.93 2jtc n SER 75 Cb 0.39 -0.33 0.09 0.00 -0.75 0.00 0.00 64.21 63.61 2jtc n SER 75 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jtc n ASN 76 N -1.33 1.05 -4.60 -3.46 4.13 -1.26 -4.86 115.26 104.94 2jtc n ASN 76 Ca 0.04 -0.86 -0.43 0.00 1.68 0.00 0.00 54.58 55.00 2jtc n ASN 76 Cb 0.07 0.55 -0.03 0.00 -1.54 0.00 0.00 39.78 38.84 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 -2.82 6.00 -0.06 6.41 3.84 -0.19 -4.83 114.94 123.28 2jtc s ASN 77 Ca 0.13 1.18 0.08 0.00 0.21 0.00 0.00 52.86 54.46 2jtc s ASN 77 Cb 0.17 -2.53 0.32 0.00 -0.55 0.00 0.00 41.25 38.66 2jtc s ASN 77 CO 0.71 -1.64 1.13 -0.81 -2.79 0.00 0.00 177.10 173.69 2jtc n PRO 78 N 8.35 2.26 -0.00 0.43 -0.04 -1.26 -3.85 135.00 140.88 2jtc n PRO 78 Ca 0.21 -1.26 0.06 0.00 -0.04 0.00 0.00 63.50 62.47 2jtc n PRO 78 Cb 0.47 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.34 0.00 -4.42 0.54 4.01 -1.26 -3.21 117.16 113.16 2jtc n TYR 79 Ca 0.11 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.64 2jtc n TYR 79 Cb 0.48 -0.25 -0.10 0.00 -0.31 0.00 0.00 39.34 39.17 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 -2.78 2.00 0.00 -0.72 0.40 -1.25 0.28 117.98 115.92 2jtc s PHE 80 Ca -0.03 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 2jtc s PHE 80 Cb 0.09 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.65 2jtc s PHE 80 CO 0.54 0.48 0.47 0.09 0.70 0.00 0.00 175.22 177.50 2jtc n ASN 81 N -0.53 0.00 0.00 1.36 3.02 -1.26 -4.86 115.26 112.99 2jtc n ASN 81 Ca -0.06 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 2jtc n ASN 81 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.77 0.00 -1.02 3.10 8.25 -1.26 -4.94 115.22 118.57 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 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2jtc n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jtc n PRO 83 N 0.00 2.63 -3.57 -0.41 -0.04 -1.26 -4.20 135.00 128.14 2jtc n PRO 83 Ca 0.00 -1.54 -0.41 0.00 -0.04 0.00 0.00 63.50 61.51 2jtc n PRO 83 Cb 0.00 -2.40 -0.10 0.00 -0.04 0.00 0.00 33.50 30.96 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 2.09 2.65 -0.16 0.54 2.47 -1.26 -4.96 119.74 121.11 2jtc s LYS 84 Ca 0.59 -1.45 -0.08 0.00 -1.56 0.00 0.00 55.97 53.47 2jtc s LYS 84 Cb 0.20 -3.84 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 2jtc s LYS 84 CO -0.03 -0.97 0.12 0.54 0.16 0.00 0.00 175.35 175.16 2jtc s ASN 85 N 2.20 6.13 -0.16 1.43 2.20 -1.26 0.16 114.94 125.65 2jtc s ASN 85 Ca 0.03 0.29 -0.04 0.00 -0.94 0.00 0.00 52.86 52.20 2jtc s ASN 85 Cb -0.23 -2.03 -0.03 0.00 -2.00 0.00 0.00 41.25 36.96 2jtc s ASN 85 CO 0.03 0.28 -0.02 -0.76 -2.94 0.00 0.00 177.10 173.68 2jtc s LEU 86 N -0.23 3.33 -0.12 3.54 1.02 0.46 -4.92 118.68 121.76 2jtc s LEU 86 Ca 0.10 -0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.17 2jtc s LEU 86 Cb -0.12 -1.81 0.01 0.00 0.02 0.00 0.00 46.19 44.29 2jtc s LEU 86 CO 0.01 0.17 -0.20 0.12 0.02 0.00 0.00 176.35 176.46 2jtc s PHE 87 N 0.39 2.42 -0.33 0.29 5.36 -1.26 -1.60 117.98 123.25 2jtc s PHE 87 Ca -0.03 -1.17 -0.08 0.00 -0.96 0.00 0.00 56.93 54.69 2jtc s PHE 87 Cb -0.14 -1.67 0.02 0.00 -0.34 0.00 0.00 43.02 40.89 2jtc s PHE 87 CO 0.02 -0.55 0.13 0.00 -1.46 0.00 0.00 175.22 173.37 2jtc s ALA 88 N 0.82 3.15 -0.19 11.12 0.00 0.18 -4.97 121.76 131.86 2jtc s ALA 88 Ca -0.08 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 2jtc s ALA 88 Cb -0.16 -2.32 -0.16 0.00 0.00 0.00 0.00 23.12 20.48 2jtc s ALA 88 CO -0.01 -1.13 2.59 0.00 0.00 0.00 0.00 175.76 177.21 2jtc n ALA 89 N 4.90 4.82 -0.11 0.00 0.00 -1.26 -1.12 120.51 127.74 2jtc n ALA 89 Ca -0.13 -1.45 -0.05 0.00 0.00 0.00 0.00 53.44 51.80 2jtc n ALA 89 Cb 0.47 -2.44 0.01 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 2.49 0.65 -1.21 0.00 2.04 -1.87 0.28 117.51 119.88 2jtc h ILE 90 Ca 0.21 -0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.42 2jtc h ILE 90 Cb 0.89 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2jtc h ILE 90 CO 0.53 0.00 1.02 0.77 0.00 0.00 0.00 178.15 180.47 2jtc h SER 91 N 0.01 0.00 -0.65 1.72 4.64 -1.71 1.49 113.55 119.05 2jtc h SER 91 Ca 0.18 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 61.07 2jtc h SER 91 Cb 0.27 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.09 2jtc h SER 91 CO -0.37 0.00 -0.15 0.35 -0.87 0.00 0.00 176.83 175.79 2jtc n THR 92 N -3.80 2.79 -3.45 2.95 -2.24 0.95 -4.50 114.28 106.96 2jtc n THR 92 Ca 0.27 -3.35 -0.28 0.00 -2.27 0.00 0.00 64.05 58.42 2jtc n THR 92 Cb 1.40 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.51 3.59 -0.50 -0.78 1.81 0.51 -4.89 118.95 115.18 2jtc s ARG 93 Ca 0.52 -0.12 0.01 0.00 -1.72 0.00 0.00 55.73 54.42 2jtc s ARG 93 Cb 0.43 -2.71 0.13 0.00 -0.45 0.00 0.00 34.95 32.35 2jtc s ARG 93 CO 0.01 0.27 0.26 -0.65 -0.68 0.00 0.00 175.30 174.51 2jtc s GLN 94 N -3.51 2.04 -0.97 3.54 -1.52 -1.26 -2.00 119.66 115.98 2jtc s GLN 94 Ca 0.42 -2.35 -0.23 0.00 -1.95 0.00 0.00 55.36 51.25 2jtc s GLN 94 Cb -0.11 -3.44 0.06 0.00 -0.22 0.00 0.00 33.01 29.30 2jtc s GLN 94 CO 0.30 -1.09 1.37 0.71 -0.25 0.00 0.00 175.29 176.33 2jtc s TYR 95 N 0.18 2.59 -1.09 0.91 2.02 0.68 -4.92 117.35 117.72 2jtc s TYR 95 Ca 0.15 -0.82 -0.22 0.00 -0.37 0.00 0.00 57.07 55.81 2jtc s TYR 95 Cb -0.23 -4.62 0.05 0.00 -0.40 0.00 0.00 41.96 36.76 2jtc s TYR 95 CO -0.03 -1.88 1.54 1.21 -1.57 0.00 0.00 175.55 174.81 2jtc s ASN 96 N 4.62 6.56 0.00 2.29 2.47 -1.26 -4.50 114.94 125.12 2jtc s ASN 96 Ca 0.42 -1.70 0.03 0.00 0.42 0.00 0.00 52.86 52.02 2jtc s ASN 96 Cb -0.02 -2.57 0.12 0.00 -1.45 0.00 0.00 41.25 37.33 2jtc s ASN 96 CO -0.07 -1.45 0.94 0.79 -3.72 0.00 0.00 177.10 173.59 2jtc n TRP 97 N 8.86 0.00 0.09 0.43 5.03 -1.26 -0.47 117.44 130.13 2jtc n TRP 97 Ca 0.37 0.00 0.09 0.00 3.03 0.00 0.00 57.50 60.99 2jtc n TRP 97 Cb 0.50 -0.34 -0.01 0.00 -1.03 0.00 0.00 31.31 30.42 2jtc n TRP 97 CO 0.00 0.00 0.00 -0.91 -0.03 0.00 0.00 177.69 176.75 2jtc h ASN 98 N 0.00 0.00 0.00 -0.99 -0.26 -2.01 -3.34 115.58 108.98 2jtc h ASN 98 Ca 0.00 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.49 2jtc h ASN 98 Cb 0.03 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.24 2jtc h ASN 98 CO 0.00 0.12 -2.26 0.59 -1.06 0.00 0.00 177.43 174.82 2jtc n ASN 99 N -2.73 0.03 -3.55 5.81 3.02 0.39 -4.58 115.26 113.64 2jtc n ASN 99 Ca -0.02 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.14 2jtc n ASN 99 Cb 0.61 1.31 -0.04 0.00 -0.61 0.00 0.00 39.78 41.06 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 -2.59 2.40 -1.42 2.41 5.41 -0.17 -4.46 119.36 120.95 2jtc n ILE 100 Ca -0.24 -1.92 -0.39 0.00 1.00 0.00 0.00 62.75 61.21 2jtc n ILE 100 Cb 0.97 -2.36 0.03 0.00 -0.71 0.00 0.00 39.64 37.56 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 6.40 -0.22 0.18 1.39 4.77 -1.26 -4.86 117.00 123.40 2jtc n LEU 101 Ca 0.51 0.75 0.13 0.00 -0.03 0.00 0.00 56.01 57.37 2jtc n LEU 101 Cb 0.34 -1.10 0.32 0.00 -2.33 0.00 0.00 43.42 40.65 2jtc n LEU 101 CO 0.94 -3.35 0.86 1.55 -1.33 0.00 0.00 177.39 176.06 2jtc h PRO 102 N 0.30 0.00 -2.92 3.23 0.13 -1.86 -3.43 132.00 127.45 2jtc h PRO 102 Ca -0.44 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.47 2jtc h PRO 102 Cb 1.41 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.22 2jtc h PRO 102 CO 0.47 0.00 -0.53 -0.08 -0.23 0.00 0.00 178.00 177.63 2jtc s THR 103 N -3.22 -0.31 -0.07 1.56 -1.32 -1.20 0.27 115.64 111.35 2jtc s THR 103 Ca 0.08 0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2jtc s THR 103 Cb 0.08 -0.41 -0.03 0.00 -1.51 0.00 0.00 72.50 70.63 2jtc s THR 103 CO 0.62 0.11 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.78 2jtc s TYR 104 N 2.12 3.00 -2.36 9.09 2.02 -1.23 -4.94 117.35 125.05 2jtc s TYR 104 Ca -0.01 0.07 0.20 0.00 -0.37 0.00 0.00 57.07 56.96 2jtc s TYR 104 Cb -0.12 -1.72 0.12 0.00 -0.40 0.00 0.00 41.96 39.84 2jtc s TYR 104 CO -0.08 0.37 1.10 -1.13 -1.57 0.00 0.00 175.55 174.25 2jtc n SER 105 N 2.14 2.48 0.00 2.29 3.41 -1.26 -4.93 113.62 117.75 2jtc n SER 105 Ca -0.18 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 2jtc n SER 105 Cb 0.53 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 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 1.20 0.58 0.00 5.00 0.00 -1.26 -4.83 105.19 105.87 2jtc n GLY 106 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2jtc n GLY 106 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jtc n ARG 107 N -2.83 6.64 -0.89 1.61 -4.01 -1.26 -5.00 116.66 110.92 2jtc n ARG 107 Ca 0.00 -0.00 -0.31 0.00 -1.04 0.00 0.00 57.85 56.50 2jtc n ARG 107 Cb 0.00 -0.53 0.15 0.00 -3.04 0.00 0.00 32.46 29.03 2jtc n ARG 107 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 2jtc s GLU 108 N -1.07 1.28 1.22 2.89 8.01 -1.26 -4.97 118.70 124.80 2jtc s GLU 108 Ca 0.00 1.33 -0.16 0.00 0.01 0.00 0.00 54.97 56.15 2jtc s GLU 108 Cb 0.00 -1.77 0.26 0.00 -4.31 0.00 0.00 34.13 28.31 2jtc s GLU 108 CO 0.01 -2.38 0.68 -1.13 0.01 0.00 0.00 175.26 172.46 2jtc n SER 109 N -4.04 -2.44 0.12 -0.19 3.41 -1.26 -4.81 113.62 104.41 2jtc n SER 109 Ca 0.10 -0.31 -0.02 0.00 -0.26 0.00 0.00 58.87 58.38 2jtc n SER 109 Cb 0.53 -1.10 0.11 0.00 -0.26 0.00 0.00 64.21 63.48 2jtc n SER 109 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2jtc h ASN 110 N -2.73 0.00 0.22 4.04 -0.73 -1.98 -2.97 115.58 111.44 2jtc h ASN 110 Ca -0.56 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.61 2jtc h ASN 110 Cb 1.31 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.87 2jtc h ASN 110 CO 0.41 0.69 -0.45 0.58 -0.37 0.00 0.00 177.43 178.29 2jtc h VAL 111 N 0.00 0.00 -0.30 2.57 2.07 -1.99 1.61 116.25 120.21 2jtc h VAL 111 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2jtc h VAL 111 Cb 1.25 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2jtc h VAL 111 CO 0.09 0.00 0.06 1.56 0.02 0.00 0.00 177.57 179.30 2jtc h GLN 112 N -0.73 0.44 -0.40 1.57 7.50 -1.78 -1.25 115.11 120.45 2jtc h GLN 112 Ca -0.02 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.01 2jtc h GLN 112 Cb 0.70 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.13 2jtc h GLN 112 CO -0.18 0.42 0.07 0.87 -1.50 0.00 0.00 178.83 178.50 2jtc h LYS 113 N 0.43 0.66 -0.69 1.46 1.57 -1.05 -2.05 116.57 116.90 2jtc h LYS 113 Ca 0.10 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2jtc h LYS 113 Cb 0.19 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2jtc h LYS 113 CO -0.00 0.70 0.45 1.98 -0.57 0.00 0.00 179.45 182.02 2jtc h MET 114 N 0.51 0.85 0.05 3.15 4.05 0.32 0.11 114.93 123.97 2jtc h MET 114 Ca 0.12 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2jtc h MET 114 Cb 0.36 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2jtc h MET 114 CO 0.01 0.56 -0.03 0.00 0.23 0.00 0.00 176.91 177.68 2jtc h ALA 115 N 1.59 -0.91 -0.97 0.39 0.00 -0.55 -0.44 119.26 118.36 2jtc h ALA 115 Ca 0.26 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2jtc h ALA 115 Cb -0.02 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2jtc h ALA 115 CO -0.07 -0.91 0.64 0.97 0.00 0.00 0.00 179.25 179.88 2jtc h ILE 116 N -0.08 1.19 -0.86 0.00 6.09 -1.43 -1.89 117.51 120.54 2jtc h ILE 116 Ca -0.01 -0.43 0.07 0.00 -1.37 0.00 0.00 64.86 63.12 2jtc h ILE 116 Cb 0.06 -0.18 -0.06 0.00 0.47 0.00 0.00 36.82 37.11 2jtc h ILE 116 CO 0.01 0.23 0.53 0.77 -3.07 0.00 0.00 178.15 176.61 2jtc h SER 117 N 1.26 0.82 -0.28 2.19 4.64 -0.91 0.14 113.55 121.41 2jtc h SER 117 Ca 0.38 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.57 2jtc h SER 117 Cb -0.05 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 2jtc h SER 117 CO -0.11 0.52 -0.36 -0.08 -0.87 0.00 0.00 176.83 175.93 2jtc h GLU 118 N 0.95 0.82 0.51 4.77 4.81 -0.46 0.54 114.58 126.52 2jtc h GLU 118 Ca 0.38 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2jtc h GLU 118 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2jtc h GLU 118 CO -0.18 1.05 -0.27 1.25 -0.73 0.00 0.00 179.01 180.12 2jtc h LEU 119 N 0.68 -0.66 -0.96 1.64 5.85 -0.46 0.99 115.31 122.38 2jtc h LEU 119 Ca 0.06 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2jtc h LEU 119 Cb 0.92 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 2jtc h LEU 119 CO 0.08 -0.45 0.62 0.24 -0.34 0.00 0.00 178.44 178.60 2jtc h MET 120 N -0.72 1.10 -0.54 1.25 2.86 -0.70 1.13 114.93 119.31 2jtc h MET 120 Ca -0.06 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 2jtc h MET 120 Cb 0.57 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2jtc h MET 120 CO 0.09 0.73 0.03 0.00 1.06 0.00 0.00 176.91 178.82 2jtc h ALA 121 N 1.43 0.72 -0.02 6.32 0.00 -0.27 2.44 119.26 129.89 2jtc h ALA 121 Ca 0.41 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jtc h ALA 121 Cb 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jtc h ALA 121 CO -0.17 0.52 0.00 -0.44 0.00 0.00 0.00 179.25 179.17 2jtc h ASP 122 N 0.81 0.03 0.58 0.00 3.32 0.25 0.13 116.42 121.55 2jtc h ASP 122 Ca 0.16 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2jtc h ASP 122 Cb 0.49 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.04 2jtc h ASP 122 CO 0.02 0.29 -0.28 0.58 -1.72 0.00 0.00 179.24 178.13 2jtc h VAL 123 N -0.22 0.23 -0.64 -1.35 2.07 0.15 1.37 116.25 117.85 2jtc h VAL 123 Ca 0.01 -0.37 0.13 0.00 0.82 0.00 0.00 66.70 67.28 2jtc h VAL 123 Cb 0.27 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 30.24 2jtc h VAL 123 CO 0.00 0.03 -0.18 1.23 0.02 0.00 0.00 177.57 178.67 2jtc h GLY 124 N -1.08 0.40 0.74 2.17 0.00 0.42 0.32 103.07 106.03 2jtc h GLY 124 Ca -0.08 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2jtc h GLY 124 CO 0.13 -0.25 -0.16 -2.22 0.00 0.00 0.00 176.54 174.05 2jtc h ILE 125 N -0.02 0.67 -1.31 2.60 2.04 -0.67 0.19 117.51 121.01 2jtc h ILE 125 Ca 0.30 -0.47 0.38 0.00 1.00 0.00 0.00 64.86 66.08 2jtc h ILE 125 Cb 0.49 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2jtc h ILE 125 CO -0.67 0.09 0.93 0.77 0.00 0.00 0.00 178.15 179.27 2jtc h SER 126 N -0.72 0.06 -1.00 1.72 4.64 0.37 0.50 113.55 119.12 2jtc h SER 126 Ca -0.05 0.02 -0.66 0.00 -0.47 0.00 0.00 61.79 60.63 2jtc h SER 126 Cb 0.49 0.01 -0.31 0.00 -0.31 0.00 0.00 62.40 62.28 2jtc h SER 126 CO 0.08 -0.00 0.59 1.33 -0.87 0.00 0.00 176.83 177.95 2jtc n VAL 127 N -4.22 3.44 -4.08 0.95 0.24 0.94 -4.71 118.33 110.90 2jtc n VAL 127 Ca 0.29 -3.21 -0.28 0.00 -2.04 0.00 0.00 64.34 59.11 2jtc n VAL 127 Cb 1.35 -1.16 -0.08 0.00 -1.47 0.00 0.00 33.84 32.48 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 -0.87 0.64 -4.71 -1.34 9.92 0.17 -4.14 116.55 116.23 2jtc n ASP 128 Ca 0.59 -1.10 -0.42 0.00 -0.53 0.00 0.00 54.79 53.33 2jtc n ASP 128 Cb 0.70 -1.37 -0.03 0.00 -0.64 0.00 0.00 41.12 39.77 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 -6.76 4.24 -0.12 -1.24 -2.45 0.65 -4.56 119.30 109.06 2jtc s MET 129 Ca 0.06 2.26 -0.30 0.00 -1.25 0.00 0.00 55.69 56.46 2jtc s MET 129 Cb -0.03 -3.27 -0.02 0.00 1.25 0.00 0.00 34.83 32.76 2jtc s MET 129 CO 0.87 -0.58 1.16 0.34 1.05 0.00 0.00 175.02 177.86 2jtc s ASP 130 N 1.36 7.07 -0.28 1.11 -1.08 0.27 -4.86 116.67 120.25 2jtc s ASP 130 Ca 0.69 1.67 -0.09 0.00 -0.52 0.00 0.00 52.55 54.30 2jtc s ASP 130 Cb -0.41 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.48 2jtc s ASP 130 CO 0.31 -0.62 0.13 -0.31 0.52 0.00 0.00 175.17 175.20 2jtc s TYR 131 N 2.66 3.15 0.00 -5.34 2.02 -1.26 -2.04 117.35 116.54 2jtc s TYR 131 Ca 0.52 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 2jtc s TYR 131 Cb -0.21 -2.31 0.00 0.00 -0.40 0.00 0.00 41.96 39.04 2jtc s TYR 131 CO 0.17 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.20 2jtc n GLY 132 N 4.97 3.69 0.24 0.71 0.00 -1.26 -4.83 105.19 108.71 2jtc n GLY 132 Ca -0.15 -1.13 0.06 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 0.00 -5.95 1.61 0.13 -1.89 -2.68 132.00 123.22 2jtc h PRO 133 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 2jtc h PRO 133 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2jtc h PRO 133 CO 0.00 0.11 -0.69 -1.54 -0.23 0.00 0.00 178.00 175.66 2jtc s SER 134 N -7.01 4.68 -0.30 1.44 1.04 -1.26 -4.08 113.70 108.21 2jtc s SER 134 Ca -0.04 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2jtc s SER 134 Cb 0.16 -1.32 0.07 0.00 0.10 0.00 0.00 66.02 65.03 2jtc s SER 134 CO 0.68 0.32 -0.00 -0.44 0.98 0.00 0.00 173.24 174.78 2jtc s SER 135 N -0.56 4.78 -0.10 7.02 0.01 -1.26 -4.66 113.70 118.93 2jtc s SER 135 Ca 0.08 -1.51 -0.02 0.00 1.31 0.00 0.00 55.95 55.82 2jtc s SER 135 Cb -0.12 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 2jtc s SER 135 CO 0.02 -0.29 -0.01 -0.83 0.41 0.00 0.00 173.24 172.54 2jtc s GLY 136 N 1.23 1.80 0.00 3.44 0.00 -0.86 -3.73 107.32 109.19 2jtc s GLY 136 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2jtc s GLY 136 CO -0.03 -0.43 0.00 -1.26 0.00 0.00 0.00 173.10 171.37 2jtc n SER 137 N 2.56 1.73 -0.09 1.64 2.88 -1.26 0.95 113.62 122.03 2jtc n SER 137 Ca -0.18 -0.13 -0.13 0.00 -1.33 0.00 0.00 58.87 57.09 2jtc n SER 137 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.66 0.00 -1.46 0.00 -1.26 -2.74 120.51 112.71 2jtc n ALA 138 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2jtc n ALA 138 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 1.51 0.41 0.39 0.00 0.00 -1.26 -2.01 105.19 104.22 2jtc n GLY 139 Ca -0.21 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.22 -1.01 1.61 0.02 -1.93 0.55 113.55 111.58 2jtc h SER 140 Ca 0.00 0.16 0.26 0.00 -0.84 0.00 0.00 61.79 61.37 2jtc h SER 140 Cb 0.00 0.49 -0.13 0.00 0.14 0.00 0.00 62.40 62.90 2jtc h SER 140 CO 0.00 -0.43 0.59 0.77 -1.14 0.00 0.00 176.83 176.63 2jtc h SER 141 N -0.51 0.63 0.13 3.07 4.64 -1.98 1.41 113.55 120.94 2jtc h SER 141 Ca 0.06 0.15 -0.21 0.00 -0.47 0.00 0.00 61.79 61.32 2jtc h SER 141 Cb 0.62 0.06 0.02 0.00 -0.31 0.00 0.00 62.40 62.79 2jtc h SER 141 CO -0.34 0.05 -0.90 0.03 -0.87 0.00 0.00 176.83 174.80 2jtc h ARG 142 N 0.52 0.38 0.31 4.77 2.47 -1.64 -3.01 114.38 118.19 2jtc h ARG 142 Ca 0.67 -0.58 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 2jtc h ARG 142 Cb 1.34 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.87 2jtc h ARG 142 CO -0.50 1.26 -0.15 0.28 0.56 0.00 0.00 179.97 181.42 2jtc h VAL 143 N -0.20 0.61 -0.50 2.04 2.07 0.22 0.37 116.25 120.86 2jtc h VAL 143 Ca -0.15 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 66.77 2jtc h VAL 143 Cb 1.67 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 2jtc h VAL 143 CO 0.17 0.12 0.34 0.06 0.02 0.00 0.00 177.57 178.28 2jtc h GLN 144 N -0.86 0.19 0.00 1.57 -0.00 0.16 0.40 115.11 116.57 2jtc h GLN 144 Ca -0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 2jtc h GLN 144 Cb 0.52 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 2jtc h GLN 144 CO 0.07 0.12 -0.04 -0.09 -0.00 0.00 0.00 178.83 178.89 2jtc h ARG 145 N 0.19 0.02 -0.38 0.06 2.43 -1.39 -3.17 114.38 112.14 2jtc h ARG 145 Ca 0.23 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2jtc h ARG 145 Cb 0.66 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2jtc h ARG 145 CO -0.04 0.88 0.05 0.00 -1.51 0.00 0.00 179.97 179.35 2jtc h ALA 146 N 0.15 1.38 -0.17 2.80 0.00 0.49 0.34 119.26 124.25 2jtc h ALA 146 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jtc h ALA 146 Cb 0.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2jtc h ALA 146 CO 0.01 0.44 0.10 -0.07 0.00 0.00 0.00 179.25 179.73 2jtc h LEU 147 N 0.56 0.21 0.11 0.00 3.38 -0.32 0.19 115.31 119.43 2jtc h LEU 147 Ca 0.12 -0.06 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 2jtc h LEU 147 Cb 0.28 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jtc h LEU 147 CO 0.00 0.20 -1.47 0.11 0.09 0.00 0.00 178.44 177.37 2jtc h LYS 148 N 0.19 0.23 0.02 1.13 1.57 -1.49 0.62 116.57 118.85 2jtc h LYS 148 Ca 0.06 -0.39 -0.23 0.00 -1.87 0.00 0.00 60.65 58.22 2jtc h LYS 148 Cb 0.04 0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.51 2jtc h LYS 148 CO -0.01 1.19 -0.92 0.93 -0.57 0.00 0.00 179.45 180.07 2jtc h GLU 149 N -0.30 0.59 0.05 3.15 5.08 -0.40 -2.15 114.58 120.60 2jtc h GLU 149 Ca -0.32 -0.66 -0.35 0.00 -1.00 0.00 0.00 59.36 57.03 2jtc h GLU 149 Cb 1.76 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 31.16 2jtc h GLU 149 CO 0.04 1.26 -2.01 0.09 -1.00 0.00 0.00 179.01 177.40 2jtc n ASN 150 N -3.97 2.00 -0.71 1.42 4.13 0.25 -4.18 115.26 114.19 2jtc n ASN 150 Ca -0.11 0.21 0.11 0.00 1.68 0.00 0.00 54.58 56.47 2jtc n ASN 150 Cb 0.82 -0.79 0.05 0.00 -1.54 0.00 0.00 39.78 38.32 2jtc n ASN 150 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2jtc n PHE 151 N -3.81 0.00 -3.59 3.10 3.72 0.40 -1.55 117.46 115.72 2jtc n PHE 151 Ca -0.39 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.74 2jtc n PHE 151 Cb 0.91 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.47 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 1.37 -0.50 3.56 1.37 0.00 0.65 -4.58 105.19 107.06 2jtc n GLY 152 Ca 0.11 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.16 1.54 0.27 1.61 1.51 0.19 -4.81 117.35 114.51 2jtc s TYR 153 Ca 0.52 1.27 -0.28 0.00 -1.01 0.00 0.00 57.07 57.57 2jtc s TYR 153 Cb -0.26 -3.16 -0.15 0.00 -0.11 0.00 0.00 41.96 38.28 2jtc s TYR 153 CO 0.65 -3.50 0.90 -1.71 -1.11 0.00 0.00 175.55 170.78 2jtc n ASN 154 N -4.66 0.72 0.33 2.29 2.85 0.24 -4.66 115.26 112.37 2jtc n ASN 154 Ca 0.05 1.16 0.15 0.00 -0.11 0.00 0.00 54.58 55.83 2jtc n ASN 154 Cb 0.54 -1.21 0.79 0.00 1.24 0.00 0.00 39.78 41.13 2jtc n ASN 154 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2jtc h GLN 155 N 1.75 0.00 0.00 1.20 1.08 -1.87 0.28 115.11 117.55 2jtc h GLN 155 Ca -0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 2jtc h GLN 155 Cb 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 2jtc h GLN 155 CO 0.60 0.00 0.28 0.66 -0.95 0.00 0.00 178.83 179.42 2jtc h SER 156 N 0.00 0.00 -2.55 1.46 4.64 -1.84 -3.40 113.55 111.86 2jtc h SER 156 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2jtc h SER 156 Cb 0.67 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.78 2jtc h SER 156 CO 0.00 0.00 1.11 -0.69 -0.87 0.00 0.00 176.83 176.38 2jtc s VAL 157 N -3.70 3.03 0.03 0.95 1.01 0.09 -4.57 120.40 117.24 2jtc s VAL 157 Ca -0.02 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 2jtc s VAL 157 Cb 0.06 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.26 2jtc s VAL 157 CO 0.20 -0.01 0.20 -1.38 0.00 0.00 0.00 175.10 174.11 2jtc s HIS 158 N 3.47 0.02 0.03 5.22 -3.43 -1.17 -4.97 115.29 114.46 2jtc s HIS 158 Ca 0.80 -0.18 -0.00 0.00 -0.80 0.00 0.00 55.06 54.87 2jtc s HIS 158 Cb -0.41 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 30.69 2jtc s HIS 158 CO 0.35 -0.40 0.17 -1.14 -2.00 0.00 0.00 174.74 171.72 2jtc s GLN 159 N -2.21 3.31 0.15 -0.38 0.74 -1.26 -1.45 119.66 118.56 2jtc s GLN 159 Ca -0.08 -0.45 0.05 0.00 0.05 0.00 0.00 55.36 54.93 2jtc s GLN 159 Cb -0.03 -2.99 -0.04 0.00 1.10 0.00 0.00 33.01 31.05 2jtc s GLN 159 CO -0.02 0.63 -0.11 0.96 -0.55 0.00 0.00 175.29 176.20 2jtc s ILE 160 N -1.40 1.24 -0.51 -2.34 -4.36 0.29 -4.89 121.20 109.23 2jtc s ILE 160 Ca 0.30 -2.06 -0.03 0.00 -0.26 0.00 0.00 60.65 58.60 2jtc s ILE 160 Cb -0.13 -1.85 0.13 0.00 1.25 0.00 0.00 42.46 41.86 2jtc s ILE 160 CO 0.23 -0.72 0.32 0.20 0.24 0.00 0.00 174.94 175.21 2jtc s ASN 161 N -3.15 5.29 0.58 4.36 0.01 -1.26 0.54 114.94 121.30 2jtc s ASN 161 Ca 0.17 -2.39 0.38 0.00 -0.71 0.00 0.00 52.86 50.31 2jtc s ASN 161 Cb 0.02 -1.85 1.41 0.00 0.41 0.00 0.00 41.25 41.24 2jtc s ASN 161 CO 0.01 -0.48 1.56 -0.09 -1.51 0.00 0.00 177.10 176.59 2jtc h ARG 162 N 7.63 0.00 -0.59 -0.60 9.65 -0.95 1.01 114.38 130.53 2jtc h ARG 162 Ca -0.08 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 2jtc h ARG 162 Cb 1.01 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.56 2jtc h ARG 162 CO 0.72 0.00 0.25 0.78 2.80 0.00 0.00 179.97 184.51 2jtc h GLY 163 N 0.00 0.91 -3.86 2.80 0.00 -1.90 -2.95 103.07 98.08 2jtc h GLY 163 Ca 0.65 -0.45 -0.62 0.00 0.00 0.00 0.00 47.33 46.91 2jtc h GLY 163 CO -0.01 0.43 0.50 1.22 0.00 0.00 0.00 176.54 178.68 2jtc n ASP 164 N -4.33 6.55 -4.20 0.19 8.00 0.35 -4.98 116.55 118.13 2jtc n ASP 164 Ca 0.05 -3.77 -0.12 0.00 0.71 0.00 0.00 54.79 51.67 2jtc n ASP 164 Cb 0.16 -0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 40.32 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 -3.71 1.14 -0.11 1.24 0.40 -1.12 -4.95 117.98 110.88 2jtc s PHE 165 Ca 0.61 -1.34 -0.06 0.00 -0.60 0.00 0.00 56.93 55.54 2jtc s PHE 165 Cb 0.48 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 43.40 2jtc s PHE 165 CO 0.01 -0.59 0.13 -1.54 0.70 0.00 0.00 175.22 173.93 2jtc s SER 166 N -3.15 6.28 0.31 1.36 1.04 -1.26 -4.89 113.70 113.39 2jtc s SER 166 Ca 0.36 0.43 0.03 0.00 0.48 0.00 0.00 55.95 57.25 2jtc s SER 166 Cb 0.07 -2.01 0.78 0.00 0.10 0.00 0.00 66.02 64.96 2jtc s SER 166 CO 0.10 0.39 1.57 0.50 0.98 0.00 0.00 173.24 176.79 2jtc h LYS 167 N 4.88 0.01 0.27 4.02 3.64 -1.97 1.02 116.57 128.44 2jtc h LYS 167 Ca -0.54 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 2jtc h LYS 167 Cb 1.22 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2jtc h LYS 167 CO 0.59 0.00 -0.13 1.96 -2.27 0.00 0.00 179.45 179.60 2jtc h GLN 168 N 0.01 -0.35 0.00 1.90 7.50 -1.99 0.28 115.11 122.45 2jtc h GLN 168 Ca 0.61 0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.75 2jtc h GLN 168 Cb 1.28 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.88 2jtc h GLN 168 CO -0.92 -0.12 -0.16 -0.44 -1.50 0.00 0.00 178.83 175.70 2jtc h ASP 169 N -0.54 0.00 0.26 1.46 3.32 -1.09 -2.27 116.42 117.55 2jtc h ASP 169 Ca -0.04 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.81 2jtc h ASP 169 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 2jtc h ASP 169 CO 0.06 0.16 -0.82 -0.25 -1.72 0.00 0.00 179.24 176.67 2jtc h TRP 170 N 0.00 0.61 -0.05 4.55 2.91 0.14 -3.09 115.95 121.02 2jtc h TRP 170 Ca -0.00 -0.30 -0.14 0.00 1.13 0.00 0.00 58.89 59.58 2jtc h TRP 170 Cb 0.37 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 2jtc h TRP 170 CO 0.00 1.09 -0.62 0.93 -1.03 0.00 0.00 178.44 178.81 2jtc h GLU 171 N 0.28 0.18 -0.77 2.65 5.08 -0.41 -2.99 114.58 118.60 2jtc h GLU 171 Ca -0.05 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2jtc h GLU 171 Cb 1.42 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 2jtc h GLU 171 CO 0.14 0.74 0.40 0.00 -1.00 0.00 0.00 179.01 179.30 2jtc h ALA 172 N 1.22 1.25 0.00 3.43 0.00 -1.38 0.19 119.26 123.99 2jtc h ALA 172 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jtc h ALA 172 Cb 1.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2jtc h ALA 172 CO 0.09 0.59 -0.00 1.96 0.00 0.00 0.00 179.25 181.89 2jtc h GLN 173 N 1.09 -0.00 0.10 0.00 1.08 -1.45 -1.79 115.11 114.14 2jtc h GLN 173 Ca 0.27 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 2jtc h GLN 173 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2jtc h GLN 173 CO -0.04 0.24 -0.05 0.82 -0.95 0.00 0.00 178.83 178.85 2jtc h ILE 174 N -0.24 1.10 -0.80 2.54 2.04 -1.44 -3.06 117.51 117.66 2jtc h ILE 174 Ca -0.00 -1.19 0.12 0.00 1.00 0.00 0.00 64.86 64.79 2jtc h ILE 174 Cb 0.24 1.81 -0.08 0.00 -0.74 0.00 0.00 36.82 38.05 2jtc h ILE 174 CO 0.00 0.27 0.41 -0.78 0.00 0.00 0.00 178.15 178.05 2jtc h ASP 175 N -0.73 0.52 -0.57 1.72 1.82 -0.71 0.18 116.42 118.65 2jtc h ASP 175 Ca -0.01 0.08 0.11 0.00 -0.39 0.00 0.00 57.03 56.81 2jtc h ASP 175 Cb 0.55 -0.01 -0.08 0.00 0.68 0.00 0.00 39.33 40.47 2jtc h ASP 175 CO 0.02 0.26 0.10 0.50 -1.61 0.00 0.00 179.24 178.51 2jtc h LYS 176 N 0.64 0.22 0.22 0.28 3.64 -1.35 2.07 116.57 122.29 2jtc h LYS 176 Ca 0.42 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.78 2jtc h LYS 176 Cb 0.52 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2jtc h LYS 176 CO -0.32 0.15 -0.14 0.93 -2.27 0.00 0.00 179.45 177.80 2jtc h GLU 177 N 0.23 -0.34 0.00 1.90 4.39 -0.62 -2.12 114.58 118.03 2jtc h GLU 177 Ca 0.30 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.97 2jtc h GLU 177 Cb 0.44 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2jtc h GLU 177 CO -0.40 -0.23 -0.23 -0.07 -1.16 0.00 0.00 179.01 176.92 2jtc h LEU 178 N -0.35 0.00 -0.80 1.33 3.38 0.50 0.72 115.31 120.08 2jtc h LEU 178 Ca -0.02 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.08 2jtc h LEU 178 Cb 0.29 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 2jtc h LEU 178 CO 0.02 0.23 0.39 0.77 0.09 0.00 0.00 178.44 179.94 2jtc h SER 179 N 0.00 0.46 -1.25 -0.43 4.64 0.40 0.23 113.55 117.59 2jtc h SER 179 Ca -0.00 0.09 -0.69 0.00 -0.47 0.00 0.00 61.79 60.72 2jtc h SER 179 Cb 0.46 0.02 -0.28 0.00 -0.31 0.00 0.00 62.40 62.29 2jtc h SER 179 CO 0.03 0.20 0.90 0.00 -0.87 0.00 0.00 176.83 177.10 2jtc n GLN 180 N -4.90 2.66 -4.19 4.77 6.02 -1.02 -4.84 117.38 115.88 2jtc n GLN 180 Ca 0.15 -3.26 -0.31 0.00 -0.01 0.00 0.00 57.00 53.58 2jtc n GLN 180 Cb 0.40 -2.25 -0.07 0.00 1.02 0.00 0.00 30.24 29.34 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 -0.72 0.06 -3.97 1.08 3.02 0.80 -4.90 115.26 110.63 2jtc n ASN 181 Ca 0.59 -1.21 -0.31 0.00 -0.03 0.00 0.00 54.58 53.62 2jtc n ASN 181 Cb 0.54 -2.00 -0.15 0.00 -0.61 0.00 0.00 39.78 37.55 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 -7.15 1.76 1.10 3.52 -0.21 0.25 -4.94 119.66 113.99 2jtc s GLN 182 Ca 0.05 -1.11 -0.13 0.00 0.02 0.00 0.00 55.36 54.20 2jtc s GLN 182 Cb -0.03 -2.68 0.25 0.00 1.00 0.00 0.00 33.01 31.55 2jtc s GLN 182 CO 0.97 -0.61 1.05 -1.25 -2.12 0.00 0.00 175.29 173.33 2jtc s PRO 183 N 1.31 -0.41 -0.07 2.91 0.04 -1.26 -1.15 135.00 136.38 2jtc s PRO 183 Ca -0.06 0.68 0.03 0.00 0.04 0.00 0.00 61.00 61.69 2jtc s PRO 183 Cb -0.19 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.73 2jtc s PRO 183 CO -0.06 -3.34 -0.15 0.08 0.04 0.00 0.00 177.00 173.57 2jtc s VAL 184 N -2.68 1.32 -0.20 -0.36 1.01 0.20 -4.50 120.40 115.18 2jtc s VAL 184 Ca 0.67 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 2jtc s VAL 184 Cb -0.22 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2jtc s VAL 184 CO 0.62 0.39 0.99 -0.47 0.00 0.00 0.00 175.10 176.63 2jtc s TYR 185 N 0.50 3.38 0.30 5.22 6.14 -0.60 -0.17 117.35 132.12 2jtc s TYR 185 Ca -0.13 1.43 0.08 0.00 0.64 0.00 0.00 57.07 59.09 2jtc s TYR 185 Cb -0.15 -3.21 -0.06 0.00 0.42 0.00 0.00 41.96 38.96 2jtc s TYR 185 CO 0.04 -0.40 -0.08 -0.47 0.64 0.00 0.00 175.55 175.28 2jtc s TYR 186 N 2.84 2.14 -0.29 4.97 6.14 0.47 0.23 117.35 133.85 2jtc s TYR 186 Ca 0.43 -0.61 -0.14 0.00 0.64 0.00 0.00 57.07 57.39 2jtc s TYR 186 Cb -0.16 -1.21 0.14 0.00 0.42 0.00 0.00 41.96 41.14 2jtc s TYR 186 CO 0.09 0.41 0.85 1.14 0.64 0.00 0.00 175.55 178.68 2jtc s GLN 187 N -3.67 0.46 -0.44 4.97 -2.07 -1.01 -0.86 119.66 117.03 2jtc s GLN 187 Ca 0.31 0.97 -0.16 0.00 -1.82 0.00 0.00 55.36 54.66 2jtc s GLN 187 Cb 0.03 0.39 0.04 0.00 -1.09 0.00 0.00 33.01 32.38 2jtc s GLN 187 CO 0.14 -0.13 0.42 0.20 -1.32 0.00 0.00 175.29 174.60 2jtc s GLY 188 N 2.11 1.95 0.86 2.60 0.00 0.24 -3.06 107.32 112.02 2jtc s GLY 188 Ca -0.06 -1.77 -0.11 0.00 0.00 0.00 0.00 44.72 42.78 2jtc s GLY 188 CO -0.18 1.11 1.09 0.14 0.00 0.00 0.00 173.10 175.27 2jtc s VAL 189 N 1.95 2.84 0.00 1.40 1.01 -0.92 -1.25 120.40 125.43 2jtc s VAL 189 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2jtc s VAL 189 Cb -0.20 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2jtc s VAL 189 CO 0.10 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2jtc n GLY 190 N -1.38 3.44 0.08 4.51 0.00 -0.81 -4.15 105.19 106.88 2jtc n GLY 190 Ca 0.07 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.94 -3.34 116.57 114.47 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 0.60 -0.20 1.33 -0.57 0.00 0.00 179.45 180.61 2jtc n VAL 192 N -3.11 0.18 0.00 0.50 0.24 -1.26 -4.95 118.33 109.93 2jtc n VAL 192 Ca -0.12 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2jtc n VAL 192 Cb 1.01 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 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 1.44 0.76 3.60 7.63 0.00 -1.25 -4.70 105.19 112.66 2jtc n GLY 193 Ca 0.06 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 1.24 0.10 -0.02 0.00 -0.85 -1.91 107.32 105.88 2jtc s GLY 194 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 44.72 44.01 2jtc s GLY 194 CO 0.00 2.51 1.27 -1.58 0.00 0.00 0.00 173.10 175.29 2jtc s HIS 195 N 4.71 3.36 0.26 1.90 5.04 -0.38 -4.44 115.29 125.76 2jtc s HIS 195 Ca 0.51 1.20 0.11 0.00 -1.54 0.00 0.00 55.06 55.34 2jtc s HIS 195 Cb -0.09 -3.52 -0.05 0.00 0.04 0.00 0.00 32.58 28.97 2jtc s HIS 195 CO 0.32 -1.67 -0.18 0.00 -2.34 0.00 0.00 174.74 170.87 2jtc s ALA 196 N 0.88 2.57 0.20 1.58 0.00 -1.26 0.82 121.76 126.57 2jtc s ALA 196 Ca 0.60 -1.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 2jtc s ALA 196 Cb -0.33 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.64 2jtc s ALA 196 CO 0.31 0.21 0.81 -0.59 0.00 0.00 0.00 175.76 176.51 2jtc s PHE 197 N -2.64 -0.20 -0.07 0.00 -0.12 -0.04 -3.47 117.98 111.44 2jtc s PHE 197 Ca 0.28 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 2jtc s PHE 197 Cb -0.03 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 2jtc s PHE 197 CO 0.13 -1.00 -0.14 0.08 -0.05 0.00 0.00 175.22 174.24 2jtc s VAL 198 N -3.61 3.10 -0.37 -2.49 1.01 -1.16 -0.40 120.40 116.48 2jtc s VAL 198 Ca 0.10 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2jtc s VAL 198 Cb -0.03 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.13 2jtc s VAL 198 CO 0.02 0.58 0.21 -0.63 0.00 0.00 0.00 175.10 175.28 2jtc s ILE 199 N -0.51 4.63 -0.21 2.22 1.01 0.77 0.47 121.20 129.57 2jtc s ILE 199 Ca 0.07 -0.83 0.13 0.00 0.00 0.00 0.00 60.65 60.02 2jtc s ILE 199 Cb -0.12 -3.58 0.44 0.00 0.01 0.00 0.00 42.46 39.22 2jtc s ILE 199 CO 0.02 -0.23 1.19 -0.90 0.00 0.00 0.00 174.94 175.02 2jtc n ASP 200 N 5.01 2.65 -3.57 3.58 5.68 -1.00 0.60 116.55 129.50 2jtc n ASP 200 Ca -0.12 -3.40 -0.05 0.00 -0.50 0.00 0.00 54.79 50.72 2jtc n ASP 200 Cb 0.46 -0.43 -0.02 0.00 -1.14 0.00 0.00 41.12 39.99 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 -3.25 -0.37 -0.05 6.12 0.00 -1.23 0.26 107.32 108.80 2jtc s GLY 201 Ca 0.41 1.20 -0.06 0.00 0.00 0.00 0.00 44.72 46.26 2jtc s GLY 201 CO -0.04 0.38 0.16 0.00 0.00 0.00 0.00 173.10 173.60 2jtc s ALA 202 N -2.75 -0.39 -0.65 3.20 0.00 0.49 -1.20 121.76 120.46 2jtc s ALA 202 Ca 0.08 0.38 0.10 0.00 0.00 0.00 0.00 51.96 52.52 2jtc s ALA 202 Cb -0.01 -0.22 0.28 0.00 0.00 0.00 0.00 23.12 23.18 2jtc s ALA 202 CO -0.06 -0.09 1.23 -3.47 0.00 0.00 0.00 175.76 173.37 2jtc n ASP 203 N 2.79 2.87 0.00 0.00 2.03 0.52 0.16 116.55 124.93 2jtc n ASP 203 Ca -0.14 -2.16 0.00 0.00 0.52 0.00 0.00 54.79 53.01 2jtc n ASP 203 Cb 0.58 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.16 1.53 2.13 0.27 0.00 -1.25 -4.73 105.19 103.31 2jtc n GLY 204 Ca 0.11 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 2.58 -3.75 1.61 1.74 -1.26 -4.60 116.66 112.98 2jtc n ARG 205 Ca 0.00 -1.43 -0.29 0.00 -0.77 0.00 0.00 57.85 55.37 2jtc n ARG 205 Cb 0.00 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.15 2jtc n ARG 205 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jtc n ASN 206 N 2.94 -4.17 -4.22 0.55 2.85 -1.26 -4.95 115.26 107.00 2jtc n ASN 206 Ca 0.55 -0.67 -0.31 0.00 -0.11 0.00 0.00 54.58 54.05 2jtc n ASN 206 Cb 0.64 -3.39 -0.17 0.00 1.24 0.00 0.00 39.78 38.10 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2jtc s PHE 207 N -3.15 2.37 0.25 1.20 0.08 -1.26 -4.97 117.98 112.50 2jtc s PHE 207 Ca 0.58 -0.83 0.09 0.00 0.12 0.00 0.00 56.93 56.89 2jtc s PHE 207 Cb -0.30 -1.58 -0.05 0.00 -0.57 0.00 0.00 43.02 40.52 2jtc s PHE 207 CO 0.71 -0.30 -0.16 0.71 -0.10 0.00 0.00 175.22 176.08 2jtc s TYR 208 N 0.12 1.99 0.13 0.36 1.51 -1.26 0.20 117.35 120.40 2jtc s TYR 208 Ca -0.11 -0.49 -0.10 0.00 -1.01 0.00 0.00 57.07 55.36 2jtc s TYR 208 Cb -0.15 -0.93 -0.06 0.00 -0.11 0.00 0.00 41.96 40.70 2jtc s TYR 208 CO 0.06 0.50 0.46 -1.58 -1.11 0.00 0.00 175.55 173.88 2jtc s HIS 209 N -2.78 3.55 -0.00 2.71 5.65 -0.34 -1.21 115.29 122.87 2jtc s HIS 209 Ca 0.27 0.84 0.00 0.00 0.25 0.00 0.00 55.06 56.42 2jtc s HIS 209 Cb -0.02 -2.21 0.00 0.00 -1.18 0.00 0.00 32.58 29.17 2jtc s HIS 209 CO 0.11 0.44 -0.01 0.08 -0.65 0.00 0.00 174.74 174.71 2jtc s VAL 210 N -1.52 0.07 -0.89 0.89 1.01 0.73 -2.38 120.40 118.31 2jtc s VAL 210 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2jtc s VAL 210 Cb -0.13 -0.08 0.28 0.00 0.00 0.00 0.00 36.38 36.45 2jtc s VAL 210 CO 0.20 0.03 1.15 -3.20 0.00 0.00 0.00 175.10 173.27 2jtc n ASN 211 N 3.16 5.22 -4.21 3.32 2.85 0.18 -1.44 115.26 124.35 2jtc n ASN 211 Ca -0.14 -3.42 -0.34 0.00 -0.11 0.00 0.00 54.58 50.57 2jtc n ASN 211 Cb 0.59 -1.01 0.13 0.00 1.24 0.00 0.00 39.78 40.74 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 1.14 -1.45 1.13 1.20 7.02 -1.26 -2.99 117.44 122.24 2jtc n TRP 212 Ca 0.28 0.27 0.10 0.00 -1.02 0.00 0.00 57.50 57.13 2jtc n TRP 212 Cb 0.37 -1.52 0.56 0.00 -2.42 0.00 0.00 31.31 28.30 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 2.41 -0.76 3.84 6.99 0.00 -1.23 -4.73 105.19 111.71 2jtc n GLY 213 Ca 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 2.85 -0.03 1.61 0.52 -1.26 -4.81 118.94 115.58 2jtc s TRP 214 Ca 0.26 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.08 2jtc s TRP 214 Cb 0.14 -1.82 0.06 0.00 -1.15 0.00 0.00 33.47 30.70 2jtc s TRP 214 CO 0.26 0.17 0.89 0.41 0.02 0.00 0.00 176.95 178.71 2jtc n GLY 215 N -1.36 1.32 0.00 0.98 0.00 -1.26 -4.71 105.19 100.16 2jtc n GLY 215 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.48 -0.20 0.00 -0.02 0.00 -1.26 -4.93 105.19 98.31 2jtc n GLY 216 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.08 0.00 -0.30 1.61 3.14 -1.26 -4.87 118.33 116.57 2jtc n VAL 217 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 2jtc n VAL 217 Cb 0.10 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.86 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 1.48 -4.56 6.55 7.64 -1.26 -4.79 113.62 118.67 2jtc n SER 218 Ca 0.00 -2.17 -0.38 0.00 1.01 0.00 0.00 58.87 57.33 2jtc n SER 218 Cb 0.00 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.49 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 4.82 6.20 0.00 6.43 1.11 -1.26 -4.31 116.67 129.66 2jtc s ASP 219 Ca 0.20 -1.45 0.00 0.00 0.18 0.00 0.00 52.55 51.48 2jtc s ASP 219 Cb 0.05 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2jtc s ASP 219 CO 0.04 -1.79 0.00 0.61 1.18 0.00 0.00 175.17 175.21 2jtc n GLY 220 N 6.62 0.22 3.76 0.21 0.00 -0.52 -4.95 105.19 110.52 2jtc n GLY 220 Ca 0.37 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 2.33 0.35 1.61 0.40 -1.26 0.26 117.98 121.67 2jtc s PHE 221 Ca 0.00 1.31 0.06 0.00 -0.60 0.00 0.00 56.93 57.70 2jtc s PHE 221 Cb 0.00 -3.87 -0.01 0.00 0.51 0.00 0.00 43.02 39.65 2jtc s PHE 221 CO 0.00 -2.99 0.50 -0.59 0.70 0.00 0.00 175.22 172.84 2jtc s PHE 222 N -1.25 3.11 0.79 0.36 -0.71 -0.35 -4.50 117.98 115.42 2jtc s PHE 222 Ca 0.67 -0.18 -0.09 0.00 -1.04 0.00 0.00 56.93 56.29 2jtc s PHE 222 Cb -0.42 -2.05 0.17 0.00 -1.21 0.00 0.00 43.02 39.51 2jtc s PHE 222 CO 0.52 -0.07 1.07 -2.13 -1.34 0.00 0.00 175.22 173.27 2jtc n ARG 223 N -1.70 -0.75 -0.05 1.99 0.63 -1.26 -4.81 116.66 110.72 2jtc n ARG 223 Ca 0.00 -2.03 0.05 0.00 -0.92 0.00 0.00 57.85 54.95 2jtc n ARG 223 Cb 0.58 -0.99 0.07 0.00 0.45 0.00 0.00 32.46 32.57 2jtc n ARG 223 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jtc n LEU 224 N 0.00 2.08 0.00 6.15 4.77 -1.26 -4.90 117.00 123.84 2jtc n LEU 224 Ca 0.15 -2.46 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 2jtc n LEU 224 Cb 0.52 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2jtc n LEU 224 CO 0.37 0.59 0.00 -0.90 -1.33 0.00 0.00 177.39 176.11 2jtc n ASP 225 N -0.93 0.00 0.00 -1.43 5.68 -1.26 -5.12 116.55 113.48 2jtc n ASP 225 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 2jtc n ASP 225 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jtc n ALA 226 N -1.38 0.44 -2.80 2.12 0.00 -1.26 -5.16 120.51 112.47 2jtc n ALA 226 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jtc n ALA 226 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jtc n ALA 226 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jtc n LEU 227 N 0.00 0.00 -4.92 0.00 -0.00 -1.26 -4.85 117.00 105.97 2jtc n LEU 227 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 2jtc n LEU 227 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2jtc n LEU 227 CO 0.00 0.00 0.05 0.21 -0.00 0.00 0.00 177.39 177.65 2jtc s ASN 228 N 0.61 6.42 0.35 1.45 2.47 -1.26 -4.74 114.94 120.24 2jtc s ASN 228 Ca 0.00 0.50 0.19 0.00 0.42 0.00 0.00 52.86 53.97 2jtc s ASN 228 Cb 0.00 -2.05 0.33 0.00 -1.45 0.00 0.00 41.25 38.08 2jtc s ASN 228 CO 0.00 -0.04 1.57 1.55 -3.72 0.00 0.00 177.10 176.46 2jtc h PRO 229 N 2.15 0.00 -1.01 0.43 0.13 -2.00 -3.20 132.00 128.50 2jtc h PRO 229 Ca -0.47 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 2jtc h PRO 229 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 2jtc h PRO 229 CO 0.69 0.32 0.43 0.45 -0.23 0.00 0.00 178.00 179.66 2jtc n SER 230 N -3.23 3.57 -0.06 1.44 2.88 -1.26 -4.22 113.62 112.73 2jtc n SER 230 Ca 0.02 -3.05 0.14 0.00 -1.33 0.00 0.00 58.87 54.66 2jtc n SER 230 Cb 0.62 -0.73 0.68 0.00 -0.75 0.00 0.00 64.21 64.03 2jtc n SER 230 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtc n ALA 231 N -0.55 2.66 -1.01 -1.46 0.00 -1.21 -4.35 120.51 114.59 2jtc n ALA 231 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2jtc n ALA 231 Cb 1.25 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2jtc n ALA 231 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jtc n LEU 232 N -1.10 2.33 0.00 0.00 7.94 -1.26 -5.02 117.00 119.90 2jtc n LEU 232 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2jtc n LEU 232 Cb 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 2jtc n LEU 232 CO 0.23 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 2jtc n GLY 233 N 2.55 1.12 3.80 -3.96 0.00 -1.26 -5.00 105.19 102.44 2jtc n GLY 233 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 2jtc n GLY 233 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jtc s THR 234 N 0.00 1.96 -1.17 2.61 -4.23 -1.26 -4.92 115.64 108.63 2jtc s THR 234 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 2jtc s THR 234 Cb 0.00 -2.78 0.12 0.00 1.34 0.00 0.00 72.50 71.18 2jtc s THR 234 CO 0.00 0.00 2.43 0.61 -0.54 0.00 0.00 174.62 177.12 2jtc n GLY 235 N -2.40 5.12 0.00 3.99 0.00 -1.26 -4.87 105.19 105.78 2jtc n GLY 235 Ca 0.08 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2jtc n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 236 N 1.50 0.11 0.00 -0.02 0.00 -1.26 -5.01 105.19 100.52 2jtc n GLY 236 Ca 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2jtc n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 237 N 4.10 0.00 0.88 -0.02 0.00 -1.26 -5.07 105.19 103.83 2jtc n GLY 237 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.54 -1.39 -2.00 4.61 0.00 -1.26 -4.99 120.51 113.93 2jtc n ALA 238 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2jtc n ALA 238 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.48 -0.53 1.84 0.00 0.00 -1.26 -5.00 105.19 98.76 2jtc n GLY 239 Ca 0.04 0.62 -0.14 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 5.33 3.76 -0.02 0.00 -1.26 -4.60 105.19 108.39 2jtc n GLY 240 Ca 0.00 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 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 -3.42 3.79 -0.63 1.61 5.36 -1.26 -5.02 117.98 118.42 2jtc s PHE 241 Ca 0.45 1.51 0.01 0.00 -0.96 0.00 0.00 56.93 57.94 2jtc s PHE 241 Cb 0.39 -2.79 0.16 0.00 -0.34 0.00 0.00 43.02 40.43 2jtc s PHE 241 CO -0.00 0.35 0.41 1.21 -1.46 0.00 0.00 175.22 175.74 2jtc s ASN 242 N -0.40 4.90 -0.15 6.13 3.04 -1.26 -4.06 114.94 123.14 2jtc s ASN 242 Ca 0.37 -3.15 -0.24 0.00 0.04 0.00 0.00 52.86 49.89 2jtc s ASN 242 Cb -0.21 -1.75 -0.24 0.00 -1.54 0.00 0.00 41.25 37.51 2jtc s ASN 242 CO 0.24 -0.26 0.56 1.23 -3.04 0.00 0.00 177.10 175.83 2jtc h GLY 243 N 6.49 0.08 -6.31 1.21 0.00 -1.91 -3.46 103.07 99.16 2jtc h GLY 243 Ca 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 47.33 46.74 2jtc h GLY 243 CO 0.72 0.18 -0.76 -0.19 0.00 0.00 0.00 176.54 176.49 2jtc s TYR 244 N -2.33 0.60 -0.03 5.60 1.51 -1.26 -5.04 117.35 116.39 2jtc s TYR 244 Ca -0.22 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 2jtc s TYR 244 Cb 0.02 -0.58 -0.00 0.00 -0.11 0.00 0.00 41.96 41.28 2jtc s TYR 244 CO 0.68 -0.18 -0.14 1.14 -1.11 0.00 0.00 175.55 175.95 2jtc s GLN 245 N 0.99 1.39 0.20 -0.62 -2.07 -1.26 -2.17 119.66 116.11 2jtc s GLN 245 Ca -0.10 -0.49 -0.11 0.00 -1.82 0.00 0.00 55.36 52.85 2jtc s GLN 245 Cb -0.14 -1.25 -0.00 0.00 -1.09 0.00 0.00 33.01 30.52 2jtc s GLN 245 CO -0.01 0.21 0.37 -1.54 -1.32 0.00 0.00 175.29 173.00 2jtc s SER 246 N 0.03 -0.03 0.00 12.60 1.04 -1.17 -0.29 113.70 125.88 2jtc s SER 246 Ca -0.02 -0.88 -0.01 0.00 0.48 0.00 0.00 55.95 55.52 2jtc s SER 246 Cb -0.09 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2jtc s SER 246 CO 0.01 -0.99 0.02 0.00 0.98 0.00 0.00 173.24 173.26 2jtc s ALA 247 N -3.99 -0.02 -0.30 5.32 0.00 0.19 -2.40 121.76 120.55 2jtc s ALA 247 Ca 0.19 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 2jtc s ALA 247 Cb 0.02 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2jtc s ALA 247 CO 0.03 -0.10 0.09 0.08 0.00 0.00 0.00 175.76 175.86 2jtc s VAL 248 N -0.80 4.03 -0.03 0.00 1.01 0.14 0.11 120.40 124.85 2jtc s VAL 248 Ca -0.09 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.26 2jtc s VAL 248 Cb -0.05 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2jtc s VAL 248 CO -0.00 0.05 -0.25 0.68 0.00 0.00 0.00 175.10 175.58 2jtc s VAL 249 N 1.50 2.13 0.00 2.92 -7.23 -0.53 -1.56 120.40 117.64 2jtc s VAL 249 Ca 0.02 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2jtc s VAL 249 Cb -0.17 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.02 2jtc s VAL 249 CO 0.03 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 176.01 2jtc n GLY 250 N 2.54 0.65 3.26 2.32 0.00 -1.26 -3.03 105.19 109.68 2jtc n GLY 250 Ca -0.16 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 2jtc n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 251 N -1.55 4.82 -0.14 -0.61 1.01 -1.26 -2.04 121.20 121.43 2jtc s ILE 251 Ca 0.00 -2.01 -0.29 0.00 0.00 0.00 0.00 60.65 58.35 2jtc s ILE 251 Cb 0.00 -4.09 0.09 0.00 0.01 0.00 0.00 42.46 38.48 2jtc s ILE 251 CO 0.00 -0.88 0.82 -1.59 0.00 0.00 0.00 174.94 173.29 2jtc s LYS 252 N 0.96 0.83 0.00 2.79 0.00 -1.26 -4.90 119.74 118.16 2jtc s LYS 252 Ca 0.09 0.37 0.27 0.00 0.00 0.00 0.00 55.97 56.71 2jtc s LYS 252 Cb -0.23 0.39 1.63 0.00 0.00 0.00 0.00 37.83 39.63 2jtc s LYS 252 CO -0.02 -0.22 1.97 -0.35 0.00 0.00 0.00 175.35 176.73