#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 3.60 0.15 3.69 0.04 -1.26 -3.94 135.00 137.28 2jtc s PRO 2 Ca 0.00 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 2jtc s PRO 2 Cb 0.00 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 2jtc s PRO 2 CO 0.00 -0.57 0.66 0.08 0.04 0.00 0.00 177.00 177.21 2jtc s VAL 3 N -2.67 4.63 -0.04 -0.36 1.01 -1.26 -3.19 120.40 118.52 2jtc s VAL 3 Ca 0.60 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.86 2jtc s VAL 3 Cb -0.12 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2jtc s VAL 3 CO 0.38 0.38 -0.05 -0.69 0.00 0.00 0.00 175.10 175.11 2jtc s VAL 4 N -1.32 0.57 1.06 2.92 1.01 0.49 -4.84 120.40 120.30 2jtc s VAL 4 Ca 0.37 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 2jtc s VAL 4 Cb -0.18 -0.56 0.25 0.00 0.00 0.00 0.00 36.38 35.89 2jtc s VAL 4 CO 0.21 0.22 1.24 0.29 0.00 0.00 0.00 175.10 177.06 2jtc n LYS 5 N 3.77 -1.95 -2.47 2.72 4.76 -1.26 0.90 118.16 124.63 2jtc n LYS 5 Ca -0.23 -1.94 -0.42 0.00 -2.87 0.00 0.00 58.31 52.85 2jtc n LYS 5 Cb 0.52 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 32.23 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 -5.36 6.27 0.10 4.39 0.15 -1.21 -3.51 113.70 114.53 2jtc s SER 6 Ca 0.74 0.23 -0.23 0.00 0.70 0.00 0.00 55.95 57.39 2jtc s SER 6 Cb -0.04 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.61 2jtc s SER 6 CO 0.53 -1.61 1.72 -0.07 1.20 0.00 0.00 173.24 175.02 2jtc h LEU 7 N 12.58 -0.12 -1.09 3.45 3.38 0.32 0.23 115.31 134.06 2jtc h LEU 7 Ca -0.26 0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.86 2jtc h LEU 7 Cb 1.08 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2jtc h LEU 7 CO 1.18 -0.06 0.62 -0.07 0.09 0.00 0.00 178.44 180.20 2jtc h LEU 8 N -0.06 0.86 -0.40 1.67 3.38 -1.90 -0.59 115.31 118.28 2jtc h LEU 8 Ca 0.03 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2jtc h LEU 8 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jtc h LEU 8 CO -0.07 0.46 -0.14 -0.78 0.09 0.00 0.00 178.44 178.00 2jtc h ASP 9 N 0.92 0.81 0.00 -0.43 1.82 -1.48 0.48 116.42 118.54 2jtc h ASP 9 Ca 0.48 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 2jtc h ASP 9 Cb 0.53 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2jtc h ASP 9 CO -0.25 1.01 0.07 -1.54 -1.61 0.00 0.00 179.24 176.93 2jtc n SER 10 N -4.29 0.52 -0.27 2.28 3.41 0.70 0.60 113.62 116.56 2jtc n SER 10 Ca -0.01 0.72 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 2jtc n SER 10 Cb 0.39 -0.76 0.17 0.00 -0.26 0.00 0.00 64.21 63.74 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 -2.22 1.74 -3.54 4.33 5.02 -0.83 -4.95 118.16 117.71 2jtc n LYS 11 Ca -0.01 -2.61 -0.24 0.00 -2.02 0.00 0.00 58.31 53.42 2jtc n LYS 11 Cb 0.10 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.18 -0.46 3.56 0.72 0.00 0.20 -4.66 105.19 103.38 2jtc n GLY 12 Ca 0.17 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.83 4.51 -0.48 -0.61 1.01 0.16 -1.94 121.20 121.02 2jtc s ILE 13 Ca 0.45 0.74 0.04 0.00 0.00 0.00 0.00 60.65 61.87 2jtc s ILE 13 Cb -0.25 -4.41 0.16 0.00 0.01 0.00 0.00 42.46 37.98 2jtc s ILE 13 CO 0.55 -0.79 0.36 -1.00 0.00 0.00 0.00 174.94 174.06 2jtc s HIS 14 N 3.66 1.76 0.58 3.97 3.76 0.82 -4.58 115.29 125.26 2jtc s HIS 14 Ca 0.36 -2.53 0.00 0.00 -0.15 0.00 0.00 55.06 52.74 2jtc s HIS 14 Cb -0.11 -1.45 0.04 0.00 1.11 0.00 0.00 32.58 32.17 2jtc s HIS 14 CO 0.25 -0.75 0.82 0.71 -0.85 0.00 0.00 174.74 174.92 2jtc s TYR 15 N -0.20 2.77 0.00 1.40 2.02 -1.25 -3.48 117.35 118.62 2jtc s TYR 15 Ca 0.28 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 57.01 2jtc s TYR 15 Cb -0.03 -2.83 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 2jtc s TYR 15 CO -0.15 -1.00 0.00 -1.71 -1.57 0.00 0.00 175.55 171.11 2jtc n ASN 16 N -2.45 0.00 0.00 2.29 4.05 -1.26 -4.94 115.26 112.95 2jtc n ASN 16 Ca 0.08 -0.77 0.00 0.00 0.45 0.00 0.00 54.58 54.35 2jtc n ASN 16 Cb 0.60 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.61 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jtc n GLN 17 N 0.00 0.91 -0.00 1.20 6.02 -1.26 -4.74 117.38 119.50 2jtc n GLN 17 Ca 0.00 -0.26 -0.04 0.00 -0.01 0.00 0.00 57.00 56.69 2jtc n GLN 17 Cb 0.00 -0.72 -0.01 0.00 1.02 0.00 0.00 30.24 30.52 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 0.20 -0.11 0.00 1.08 0.00 -1.26 -2.95 105.19 102.16 2jtc n GLY 18 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jtc n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jtc n ASN 19 N -3.44 0.00 0.00 1.61 4.05 -1.26 -3.34 115.26 112.88 2jtc n ASN 19 Ca -0.06 0.00 0.05 0.00 0.45 0.00 0.00 54.58 55.02 2jtc n ASN 19 Cb 0.34 0.00 0.31 0.00 1.23 0.00 0.00 39.78 41.66 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 0.87 0.08 1.20 -0.04 -1.26 -3.17 135.00 132.68 2jtc n PRO 20 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2jtc n PRO 20 Cb 0.00 -1.19 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.61 -0.56 0.54 0.05 -1.86 -3.17 116.97 112.59 2jtc h TYR 21 Ca 0.00 -0.37 -0.02 0.00 0.05 0.00 0.00 58.73 58.40 2jtc h TYR 21 Cb 0.00 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 2jtc h TYR 21 CO 0.00 1.22 0.02 0.27 -1.05 0.00 0.00 178.16 178.62 2jtc n ASN 22 N -3.69 5.45 0.00 3.88 0.23 -1.19 -4.39 115.26 115.55 2jtc n ASN 22 Ca -0.08 -2.91 0.08 0.00 -0.53 0.00 0.00 54.58 51.15 2jtc n ASN 22 Cb 0.90 -0.68 0.43 0.00 -2.08 0.00 0.00 39.78 38.34 2jtc n ASN 22 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2jtc n LEU 23 N 0.54 0.00 0.00 -4.53 4.77 -1.20 -2.98 117.00 113.60 2jtc n LEU 23 Ca 0.27 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2jtc n LEU 23 Cb 1.17 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 2jtc n LEU 23 CO 0.32 -0.13 0.12 0.18 -1.33 0.00 0.00 177.39 176.54 2jtc n LEU 24 N -1.31 0.43 -4.65 2.23 4.77 -1.26 -5.00 117.00 112.21 2jtc n LEU 24 Ca 0.08 -0.43 -0.29 0.00 -0.03 0.00 0.00 56.01 55.34 2jtc n LEU 24 Cb 0.14 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.41 2jtc n LEU 24 CO 0.13 0.11 0.63 0.42 -1.33 0.00 0.00 177.39 177.35 2jtc s THR 25 N -0.02 2.29 0.37 -5.08 -4.23 -1.16 -4.80 115.64 103.01 2jtc s THR 25 Ca 0.00 0.10 -0.26 0.00 -1.18 0.00 0.00 61.69 60.34 2jtc s THR 25 Cb 0.00 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.29 2jtc s THR 25 CO 0.00 -0.12 1.18 -2.16 -0.54 0.00 0.00 174.62 172.97 2jtc s PRO 26 N -4.82 4.19 0.26 3.99 0.04 -1.26 -4.64 135.00 132.76 2jtc s PRO 26 Ca 0.65 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 63.47 2jtc s PRO 26 Cb -0.20 -2.81 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 2jtc s PRO 26 CO 0.59 -0.21 0.61 0.08 0.04 0.00 0.00 177.00 178.10 2jtc s VAL 27 N -1.34 4.85 0.40 -0.36 1.01 -1.26 -0.71 120.40 123.00 2jtc s VAL 27 Ca 0.54 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 62.90 2jtc s VAL 27 Cb -0.32 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 2jtc s VAL 27 CO 0.41 -0.11 1.00 -0.63 0.00 0.00 0.00 175.10 175.76 2jtc s ILE 28 N -1.88 4.03 0.00 2.22 1.01 0.23 -4.84 121.20 121.98 2jtc s ILE 28 Ca 0.49 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.60 2jtc s ILE 28 Cb -0.11 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2jtc s ILE 28 CO 0.20 -0.09 0.00 -0.62 0.00 0.00 0.00 174.94 174.43 2jtc n GLU 29 N -0.22 1.82 -4.55 2.79 -0.58 -0.95 0.07 120.64 119.03 2jtc n GLU 29 Ca 0.05 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.54 2jtc n GLU 29 Cb 0.51 -0.89 -0.11 0.00 -0.57 0.00 0.00 31.44 30.39 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 -1.61 1.82 0.13 3.49 1.02 0.88 -4.86 119.74 120.61 2jtc s LYS 30 Ca 0.00 -2.00 0.08 0.00 0.02 0.00 0.00 55.97 54.07 2jtc s LYS 30 Cb 0.00 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 2jtc s LYS 30 CO 0.00 -0.05 -0.12 0.08 -0.92 0.00 0.00 175.35 174.34 2jtc s VAL 31 N -2.88 3.16 -0.11 3.17 1.01 -1.24 -4.37 120.40 119.15 2jtc s VAL 31 Ca 0.34 -1.45 -0.23 0.00 0.00 0.00 0.00 61.98 60.64 2jtc s VAL 31 Cb 0.08 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2jtc s VAL 31 CO 0.17 0.05 0.72 -0.75 0.00 0.00 0.00 175.10 175.28 2jtc s LYS 32 N -2.36 4.38 -0.06 2.72 2.20 -1.19 -4.73 119.74 120.69 2jtc s LYS 32 Ca 0.21 0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 56.40 2jtc s LYS 32 Cb -0.10 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2jtc s LYS 32 CO 0.13 -0.06 1.44 -1.25 -0.36 0.00 0.00 175.35 175.25 2jtc s PRO 33 N 1.24 4.24 0.00 4.03 0.04 -1.26 -2.31 135.00 140.97 2jtc s PRO 33 Ca 0.37 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2jtc s PRO 33 Cb -0.17 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2jtc s PRO 33 CO 0.16 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2jtc n GLY 34 N 3.79 1.16 3.44 0.56 0.00 -1.26 -5.08 105.19 107.80 2jtc n GLY 34 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.52 1.81 1.01 1.61 2.56 -0.98 -5.17 118.70 119.03 2jtc s GLU 35 Ca 0.00 -1.75 -0.16 0.00 0.00 0.00 0.00 54.97 53.06 2jtc s GLU 35 Cb 0.00 0.41 0.21 0.00 2.00 0.00 0.00 34.13 36.75 2jtc s GLU 35 CO 0.00 -0.73 1.23 -1.14 -0.56 0.00 0.00 175.26 174.06 2jtc s GLN 36 N -3.27 0.31 -0.06 4.30 2.00 -1.26 -4.82 119.66 116.86 2jtc s GLN 36 Ca 0.32 -0.18 -0.26 0.00 -2.00 0.00 0.00 55.36 53.24 2jtc s GLN 36 Cb 0.01 -1.79 -0.03 0.00 0.80 0.00 0.00 33.01 32.00 2jtc s GLN 36 CO 0.20 -2.67 0.81 0.45 -0.50 0.00 0.00 175.29 173.58 2jtc s SER 37 N -4.48 7.11 -0.15 6.67 0.15 -1.26 -4.46 113.70 117.27 2jtc s SER 37 Ca 0.71 1.34 0.14 0.00 0.70 0.00 0.00 55.95 58.84 2jtc s SER 37 Cb -0.07 -2.47 0.37 0.00 -1.71 0.00 0.00 66.02 62.14 2jtc s SER 37 CO 0.54 -0.21 1.19 0.49 1.20 0.00 0.00 173.24 176.44 2jtc n PHE 38 N 4.06 0.00 -2.45 3.44 3.72 -1.26 -5.03 117.46 119.94 2jtc n PHE 38 Ca 0.02 -1.18 -0.39 0.00 -0.05 0.00 0.00 57.45 55.85 2jtc n PHE 38 Cb 0.51 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.81 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 -2.56 3.47 0.00 -4.37 1.01 -1.26 -2.47 120.40 114.21 2jtc s VAL 39 Ca 0.34 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2jtc s VAL 39 Cb 0.33 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2jtc s VAL 39 CO -0.06 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2jtc n GLY 40 N 0.78 1.44 3.73 4.51 0.00 0.11 -4.92 105.19 110.84 2jtc n GLY 40 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2jtc n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jtc s GLN 41 N -0.02 4.58 -0.42 1.61 -0.21 -1.03 -4.74 119.66 119.43 2jtc s GLN 41 Ca 0.00 1.24 -0.28 0.00 0.02 0.00 0.00 55.36 56.33 2jtc s GLN 41 Cb 0.00 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.63 2jtc s GLN 41 CO 0.00 0.22 1.52 -1.01 -2.12 0.00 0.00 175.29 173.90 2jtc s HIS 42 N 0.10 2.21 0.92 0.91 3.76 -1.26 -0.60 115.29 121.33 2jtc s HIS 42 Ca 0.43 0.64 -0.13 0.00 -0.15 0.00 0.00 55.06 55.85 2jtc s HIS 42 Cb -0.21 -4.27 0.03 0.00 1.11 0.00 0.00 32.58 29.23 2jtc s HIS 42 CO 0.26 -2.23 0.45 0.00 -0.85 0.00 0.00 174.74 172.36 2jtc n ALA 43 N 9.41 -2.39 -1.83 -1.40 0.00 0.12 -4.86 120.51 119.56 2jtc n ALA 43 Ca 0.18 -0.55 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 2jtc n ALA 43 Cb 0.48 -1.82 0.06 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.33 2.73 0.07 0.00 0.00 -0.79 -4.65 121.76 116.79 2jtc s ALA 44 Ca 0.58 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 2jtc s ALA 44 Cb -0.23 -3.03 -0.27 0.00 0.00 0.00 0.00 23.12 19.59 2jtc s ALA 44 CO 0.66 -1.34 1.10 1.79 0.00 0.00 0.00 175.76 177.97 2jtc h THR 45 N -0.80 1.46 0.00 0.00 1.35 -1.83 -3.41 112.91 109.67 2jtc h THR 45 Ca -0.46 -3.07 0.00 0.00 -0.55 0.00 0.00 66.41 62.34 2jtc h THR 45 Cb 1.27 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.57 2jtc h THR 45 CO 0.63 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 177.40 2jtc n GLY 46 N 1.53 2.67 0.14 5.82 0.00 -1.24 -4.43 105.19 109.68 2jtc n GLY 46 Ca -0.09 -1.50 -0.06 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 -0.10 -0.52 1.61 4.64 -1.88 0.55 113.55 117.86 2jtc h SER 47 Ca 0.00 0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.48 2jtc h SER 47 Cb 0.00 0.11 -0.11 0.00 -0.31 0.00 0.00 62.40 62.10 2jtc h SER 47 CO 0.00 -0.01 -0.31 0.58 -0.87 0.00 0.00 176.83 176.22 2jtc h VAL 48 N 0.11 0.22 0.05 0.95 2.07 -1.81 2.07 116.25 119.91 2jtc h VAL 48 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2jtc h VAL 48 Cb 0.20 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2jtc h VAL 48 CO -0.24 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.30 2jtc h ALA 49 N 0.98 -0.10 -0.11 1.67 0.00 -1.47 -0.47 119.26 119.77 2jtc h ALA 49 Ca 0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2jtc h ALA 49 Cb 0.53 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2jtc h ALA 49 CO -0.62 -0.56 -0.15 1.15 0.00 0.00 0.00 179.25 179.07 2jtc h THR 50 N -0.12 1.17 -0.39 0.00 2.02 0.75 1.72 112.91 118.07 2jtc h THR 50 Ca 0.00 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 2jtc h THR 50 Cb 0.11 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2jtc h THR 50 CO -0.02 0.23 -0.07 0.00 0.37 0.00 0.00 175.52 176.03 2jtc h ALA 51 N 1.69 0.53 0.11 6.16 0.00 0.39 -2.03 119.26 126.11 2jtc h ALA 51 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2jtc h ALA 51 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jtc h ALA 51 CO 0.02 0.37 -0.05 1.15 0.00 0.00 0.00 179.25 180.74 2jtc h THR 52 N 0.54 0.93 -0.99 0.00 2.02 -0.14 -3.11 112.91 112.15 2jtc h THR 52 Ca 0.10 -1.33 0.19 0.00 0.77 0.00 0.00 66.41 66.13 2jtc h THR 52 Cb 0.58 1.63 -0.10 0.00 -1.74 0.00 0.00 68.15 68.52 2jtc h THR 52 CO 0.03 0.27 0.61 0.00 0.37 0.00 0.00 175.52 176.80 2jtc h ALA 53 N -0.31 1.74 0.12 6.16 0.00 0.25 0.89 119.26 128.11 2jtc h ALA 53 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jtc h ALA 53 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jtc h ALA 53 CO 0.02 -0.09 -0.06 1.96 0.00 0.00 0.00 179.25 181.08 2jtc h GLN 54 N 0.73 -0.15 0.00 0.00 4.20 -1.44 0.94 115.11 119.39 2jtc h GLN 54 Ca 0.56 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.26 2jtc h GLN 54 Cb 0.91 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 2jtc h GLN 54 CO -0.34 -0.10 -0.07 0.82 -0.67 0.00 0.00 178.83 178.47 2jtc h ILE 55 N -0.16 0.47 -0.16 2.54 2.04 -0.78 0.52 117.51 121.98 2jtc h ILE 55 Ca -0.02 -0.35 -0.20 0.00 1.00 0.00 0.00 64.86 65.29 2jtc h ILE 55 Cb 0.12 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2jtc h ILE 55 CO 0.03 0.07 -0.72 0.24 0.00 0.00 0.00 178.15 177.77 2jtc h MET 56 N 0.00 0.70 -0.40 2.37 2.86 0.33 -2.93 114.93 117.84 2jtc h MET 56 Ca -0.00 -0.54 -0.14 0.00 -2.06 0.00 0.00 59.70 56.96 2jtc h MET 56 Cb 0.23 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2jtc h MET 56 CO 0.01 1.16 -0.30 -0.22 1.06 0.00 0.00 176.91 178.62 2jtc h LYS 57 N 0.49 0.92 -0.66 1.72 1.63 0.32 0.64 116.57 121.63 2jtc h LYS 57 Ca -0.03 -0.45 0.19 0.00 -0.85 0.00 0.00 60.65 59.50 2jtc h LYS 57 Cb 1.33 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.93 2jtc h LYS 57 CO 0.14 1.10 0.47 -0.92 -3.45 0.00 0.00 179.45 176.80 2jtc h TYR 58 N 0.74 0.06 0.00 1.91 5.03 0.05 -2.24 116.97 122.51 2jtc h TYR 58 Ca 0.08 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.32 2jtc h TYR 58 Cb 0.89 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.14 2jtc h TYR 58 CO 0.06 0.02 -1.68 0.72 -1.32 0.00 0.00 178.16 175.96 2jtc n HIS 59 N -4.36 0.00 -4.02 -3.82 8.25 -1.03 -5.00 115.22 105.24 2jtc n HIS 59 Ca 0.13 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.25 2jtc n HIS 59 Cb 0.71 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 2jtc n HIS 59 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2jtc n ASN 60 N -2.11 -2.09 0.00 0.41 4.13 0.22 -4.89 115.26 110.93 2jtc n ASN 60 Ca -0.08 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 55.02 2jtc n ASN 60 Cb 0.52 -2.38 0.00 0.00 -1.54 0.00 0.00 39.78 36.38 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jtc n TYR 61 N -4.59 0.00 -1.93 3.10 9.36 -1.26 -4.69 117.16 117.16 2jtc n TYR 61 Ca -0.22 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.60 2jtc n TYR 61 Cb 0.64 -0.23 -0.03 0.00 -0.63 0.00 0.00 39.34 39.09 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 -0.69 2.83 0.54 2.98 0.04 -1.26 -4.77 135.00 134.67 2jtc s PRO 62 Ca 0.00 1.12 0.33 0.00 0.04 0.00 0.00 61.00 62.48 2jtc s PRO 62 Cb 0.00 -4.35 1.33 0.00 0.04 0.00 0.00 34.50 31.52 2jtc s PRO 62 CO 0.00 -2.46 1.97 -0.97 0.04 0.00 0.00 177.00 175.58 2jtc h ASN 63 N 14.93 0.00 -4.24 6.66 -0.73 -1.84 -3.40 115.58 126.97 2jtc h ASN 63 Ca -0.29 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.52 2jtc h ASN 63 Cb 1.19 0.00 -0.26 0.00 0.27 0.00 0.00 38.32 39.52 2jtc h ASN 63 CO 1.13 0.02 -0.76 -0.75 -0.37 0.00 0.00 177.43 176.69 2jtc s LYS 64 N -3.67 0.64 0.60 6.67 2.20 -1.26 -0.15 119.74 124.77 2jtc s LYS 64 Ca 0.01 -0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 54.95 2jtc s LYS 64 Cb 0.09 -0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 35.80 2jtc s LYS 64 CO 0.55 0.14 1.18 0.41 -0.36 0.00 0.00 175.35 177.27 2jtc n GLY 65 N 2.34 0.26 0.04 5.54 0.00 -0.29 -4.83 105.19 108.24 2jtc n GLY 65 Ca -0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 2jtc n GLY 65 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jtc n LEU 66 N -1.20 0.93 -4.13 0.99 0.00 -0.72 -4.46 117.00 108.41 2jtc n LEU 66 Ca 0.14 0.45 -0.17 0.00 0.00 0.00 0.00 56.01 56.42 2jtc n LEU 66 Cb 0.47 -0.69 -0.12 0.00 0.00 0.00 0.00 43.42 43.07 2jtc n LEU 66 CO 0.50 -0.49 -0.45 -0.75 0.00 0.00 0.00 177.39 176.20 2jtc s LYS 67 N -1.64 0.76 1.14 1.96 2.20 -1.15 -4.24 119.74 118.78 2jtc s LYS 67 Ca -0.08 -0.85 -0.19 0.00 -0.36 0.00 0.00 55.97 54.50 2jtc s LYS 67 Cb 0.01 -0.72 0.27 0.00 -1.51 0.00 0.00 37.83 35.89 2jtc s LYS 67 CO 0.11 0.16 1.21 -0.51 -0.36 0.00 0.00 175.35 175.96 2jtc s ASP 68 N -1.53 1.48 -0.01 1.43 1.01 -1.26 -2.97 116.67 114.82 2jtc s ASP 68 Ca -0.03 0.37 -0.21 0.00 0.71 0.00 0.00 52.55 53.39 2jtc s ASP 68 Cb -0.09 -0.44 0.04 0.00 1.01 0.00 0.00 42.92 43.44 2jtc s ASP 68 CO 0.02 -3.75 0.46 -0.47 0.21 0.00 0.00 175.17 171.63 2jtc s TYR 69 N -3.39 -0.36 0.01 4.23 6.14 0.21 -4.78 117.35 119.41 2jtc s TYR 69 Ca 0.74 0.53 -0.22 0.00 0.64 0.00 0.00 57.07 58.76 2jtc s TYR 69 Cb -0.05 0.23 0.05 0.00 0.42 0.00 0.00 41.96 42.60 2jtc s TYR 69 CO 0.55 -0.51 0.49 -0.08 0.64 0.00 0.00 175.55 176.64 2jtc s THR 70 N -1.61 0.03 0.03 4.34 -1.32 -1.26 0.81 115.64 116.66 2jtc s THR 70 Ca -0.10 -0.28 -0.28 0.00 -1.21 0.00 0.00 61.69 59.82 2jtc s THR 70 Cb -0.02 -0.89 0.08 0.00 -1.51 0.00 0.00 72.50 70.15 2jtc s THR 70 CO 0.04 -0.15 0.70 -0.72 -2.21 0.00 0.00 174.62 172.28 2jtc s TYR 71 N -1.87 -0.55 -0.01 9.09 1.13 -0.60 -4.97 117.35 119.58 2jtc s TYR 71 Ca -0.09 0.67 -0.15 0.00 -1.41 0.00 0.00 57.07 56.09 2jtc s TYR 71 Cb -0.02 0.49 -0.06 0.00 -1.10 0.00 0.00 41.96 41.27 2jtc s TYR 71 CO 0.03 -0.67 0.41 0.99 -2.51 0.00 0.00 175.55 173.79 2jtc s THR 72 N -2.39 5.04 0.56 -3.49 2.01 -1.26 -0.47 115.64 115.64 2jtc s THR 72 Ca -0.04 0.84 -0.20 0.00 0.31 0.00 0.00 61.69 62.60 2jtc s THR 72 Cb -0.01 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 2jtc s THR 72 CO -0.02 0.57 1.12 -0.11 -0.69 0.00 0.00 174.62 175.48 2jtc n LEU 73 N 1.93 4.28 -4.76 4.42 7.94 0.35 -4.91 117.00 126.25 2jtc n LEU 73 Ca -0.14 0.89 -0.39 0.00 -1.11 0.00 0.00 56.01 55.26 2jtc n LEU 73 Cb 0.52 -1.45 0.02 0.00 0.53 0.00 0.00 43.42 43.04 2jtc n LEU 73 CO 0.38 -1.35 1.02 -0.55 -1.11 0.00 0.00 177.39 175.78 2jtc s SER 74 N -1.08 5.82 0.00 1.96 0.15 -1.26 -4.79 113.70 114.50 2jtc s SER 74 Ca 0.73 2.81 0.16 0.00 0.70 0.00 0.00 55.95 60.35 2jtc s SER 74 Cb -0.43 -2.64 0.90 0.00 -1.71 0.00 0.00 66.02 62.13 2jtc s SER 74 CO 0.49 -1.20 1.40 -1.20 1.20 0.00 0.00 173.24 173.92 2jtc n SER 75 N -0.35 0.00 -0.09 5.45 7.64 -1.26 -1.74 113.62 123.27 2jtc n SER 75 Ca 0.06 -0.29 0.11 0.00 1.01 0.00 0.00 58.87 59.76 2jtc n SER 75 Cb 0.43 -0.11 -0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.11 1.06 -4.60 6.43 5.03 -1.26 -4.87 115.26 115.95 2jtc n ASN 76 Ca 0.10 -0.92 -0.43 0.00 0.87 0.00 0.00 54.58 54.20 2jtc n ASN 76 Cb 0.08 0.72 -0.03 0.00 -1.02 0.00 0.00 39.78 39.54 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2jtc s ASN 77 N -2.89 6.02 -0.06 6.41 3.84 -0.71 -4.84 114.94 122.71 2jtc s ASN 77 Ca 0.11 1.10 0.08 0.00 0.21 0.00 0.00 52.86 54.36 2jtc s ASN 77 Cb 0.17 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.68 2jtc s ASN 77 CO 0.77 -1.64 1.15 -0.81 -2.79 0.00 0.00 177.10 173.78 2jtc n PRO 78 N 8.34 2.38 -0.04 0.43 -0.04 -1.26 -3.95 135.00 140.86 2jtc n PRO 78 Ca 0.21 -1.36 -0.01 0.00 -0.04 0.00 0.00 63.50 62.29 2jtc n PRO 78 Cb 0.47 -1.61 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 2jtc n PRO 78 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jtc n TYR 79 N 0.38 0.00 -4.48 0.54 4.01 -1.26 -3.19 117.16 113.15 2jtc n TYR 79 Ca 0.12 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.61 2jtc n TYR 79 Cb 0.52 -0.56 -0.10 0.00 -0.31 0.00 0.00 39.34 38.89 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 -2.65 2.39 0.00 -0.72 0.40 -1.25 0.30 117.98 116.46 2jtc s PHE 80 Ca -0.06 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 2jtc s PHE 80 Cb 0.07 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.35 2jtc s PHE 80 CO 0.61 0.62 0.50 0.09 0.70 0.00 0.00 175.22 177.73 2jtc n ASN 81 N -0.76 0.00 0.00 1.36 3.02 -1.26 -4.90 115.26 112.73 2jtc n ASN 81 Ca -0.05 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 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 -0.83 0.00 -0.97 3.10 8.25 -1.26 -4.94 115.22 118.56 2jtc n HIS 82 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2jtc n HIS 82 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 2.53 -3.60 -0.41 -0.04 -1.26 -4.16 135.00 128.06 2jtc n PRO 83 Ca 0.00 -1.52 -0.40 0.00 -0.04 0.00 0.00 63.50 61.54 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 2.26 2.69 -0.16 0.54 2.47 -1.26 -4.96 119.74 121.32 2jtc s LYS 84 Ca 0.56 -1.33 -0.08 0.00 -1.56 0.00 0.00 55.97 53.56 2jtc s LYS 84 Cb 0.18 -3.76 -0.04 0.00 -1.46 0.00 0.00 37.83 32.75 2jtc s LYS 84 CO -0.03 -0.87 0.12 -0.80 0.16 0.00 0.00 175.35 173.93 2jtc s ASN 85 N 1.93 6.16 -0.20 1.43 0.02 -1.26 0.13 114.94 123.16 2jtc s ASN 85 Ca 0.02 0.30 -0.05 0.00 -1.02 0.00 0.00 52.86 52.12 2jtc s ASN 85 Cb -0.22 -2.04 -0.02 0.00 0.02 0.00 0.00 41.25 38.99 2jtc s ASN 85 CO 0.04 0.28 -0.01 -0.76 0.02 0.00 0.00 177.10 176.66 2jtc s LEU 86 N -0.23 3.22 -0.14 0.60 1.02 0.38 -4.92 118.68 118.61 2jtc s LEU 86 Ca 0.10 -0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.07 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 0.07 -0.21 0.12 0.02 0.00 0.00 176.35 176.36 2jtc s PHE 87 N 0.95 2.60 -0.37 0.29 5.36 -1.26 -1.55 117.98 124.00 2jtc s PHE 87 Ca 0.01 -1.31 -0.09 0.00 -0.96 0.00 0.00 56.93 54.58 2jtc s PHE 87 Cb -0.14 -1.78 0.05 0.00 -0.34 0.00 0.00 43.02 40.80 2jtc s PHE 87 CO 0.02 -0.61 0.18 0.00 -1.46 0.00 0.00 175.22 173.35 2jtc s ALA 88 N 0.84 3.19 -0.44 11.12 0.00 0.24 -4.96 121.76 131.75 2jtc s ALA 88 Ca -0.07 -1.86 -0.05 0.00 0.00 0.00 0.00 51.96 49.98 2jtc s ALA 88 Cb -0.15 -2.48 -0.13 0.00 0.00 0.00 0.00 23.12 20.36 2jtc s ALA 88 CO -0.02 -1.45 2.41 0.00 0.00 0.00 0.00 175.76 176.70 2jtc n ALA 89 N 4.90 4.80 -0.22 0.00 0.00 -1.26 -0.62 120.51 128.11 2jtc n ALA 89 Ca -0.11 -1.64 0.02 0.00 0.00 0.00 0.00 53.44 51.70 2jtc n ALA 89 Cb 0.45 -2.62 0.13 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 2.77 0.69 -0.94 0.00 2.04 -1.87 0.39 117.51 120.59 2jtc h ILE 90 Ca 0.31 -0.12 0.27 0.00 1.00 0.00 0.00 64.86 66.32 2jtc h ILE 90 Cb 0.65 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2jtc h ILE 90 CO 0.82 0.07 0.94 0.77 0.00 0.00 0.00 178.15 180.74 2jtc h SER 91 N 0.36 0.00 -0.34 1.72 4.64 -1.71 1.85 113.55 120.07 2jtc h SER 91 Ca 0.34 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.52 2jtc h SER 91 Cb 0.48 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.49 2jtc h SER 91 CO -0.37 0.00 -0.03 0.35 -0.87 0.00 0.00 176.83 175.91 2jtc n THR 92 N -3.59 2.48 -2.76 2.95 -2.24 0.13 -4.55 114.28 106.71 2jtc n THR 92 Ca 0.20 -2.47 -0.31 0.00 -2.27 0.00 0.00 64.05 59.20 2jtc n THR 92 Cb 1.24 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 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 -3.13 3.85 -0.46 -0.78 1.81 0.63 -4.88 118.95 115.99 2jtc s ARG 93 Ca 0.44 0.63 0.01 0.00 -1.72 0.00 0.00 55.73 55.09 2jtc s ARG 93 Cb 0.39 -2.33 0.12 0.00 -0.45 0.00 0.00 34.95 32.69 2jtc s ARG 93 CO 0.03 -0.08 0.22 -1.14 -0.68 0.00 0.00 175.30 173.65 2jtc s GLN 94 N -3.81 1.94 -1.03 3.54 -0.44 -1.26 -1.14 119.66 117.47 2jtc s GLN 94 Ca 0.54 -2.23 -0.22 0.00 -2.50 0.00 0.00 55.36 50.95 2jtc s GLN 94 Cb -0.10 -3.42 0.07 0.00 -1.64 0.00 0.00 33.01 27.92 2jtc s GLN 94 CO 0.30 -1.06 1.42 0.71 0.50 0.00 0.00 175.29 177.15 2jtc s TYR 95 N 0.38 2.67 -0.99 1.67 2.02 0.79 -4.92 117.35 118.98 2jtc s TYR 95 Ca 0.13 -1.03 -0.23 0.00 -0.37 0.00 0.00 57.07 55.57 2jtc s TYR 95 Cb -0.22 -4.63 0.05 0.00 -0.40 0.00 0.00 41.96 36.76 2jtc s TYR 95 CO -0.04 -1.84 1.43 1.21 -1.57 0.00 0.00 175.55 174.74 2jtc s ASN 96 N 4.64 6.45 0.00 2.29 2.47 -1.26 -4.51 114.94 125.03 2jtc s ASN 96 Ca 0.44 -1.33 0.02 0.00 0.42 0.00 0.00 52.86 52.41 2jtc s ASN 96 Cb -0.01 -2.57 0.10 0.00 -1.45 0.00 0.00 41.25 37.32 2jtc s ASN 96 CO -0.08 -1.55 0.89 0.79 -3.72 0.00 0.00 177.10 173.42 2jtc n TRP 97 N 8.98 0.00 0.20 0.43 7.02 -1.26 -0.23 117.44 132.58 2jtc n TRP 97 Ca 0.30 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.89 2jtc n TRP 97 Cb 0.51 -0.31 0.02 0.00 -2.42 0.00 0.00 31.31 29.11 2jtc n TRP 97 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2jtc n ASN 98 N -1.31 0.79 -0.09 -0.99 3.02 -1.26 -3.94 115.26 111.48 2jtc n ASN 98 Ca 0.01 0.25 -0.08 0.00 -0.03 0.00 0.00 54.58 54.73 2jtc n ASN 98 Cb 0.02 0.47 -0.16 0.00 -0.61 0.00 0.00 39.78 39.49 2jtc n ASN 98 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jtc n ASN 99 N -2.53 0.04 -3.39 6.41 3.02 0.68 -4.52 115.26 114.97 2jtc n ASN 99 Ca 0.01 0.02 -0.33 0.00 -0.03 0.00 0.00 54.58 54.24 2jtc n ASN 99 Cb 0.53 1.04 -0.03 0.00 -0.61 0.00 0.00 39.78 40.71 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 -2.72 2.75 -1.42 2.41 5.41 -0.36 -4.49 119.36 120.94 2jtc n ILE 100 Ca -0.30 -1.90 -0.39 0.00 1.00 0.00 0.00 62.75 61.16 2jtc n ILE 100 Cb 1.10 -2.33 0.02 0.00 -0.71 0.00 0.00 39.64 37.72 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 5.19 -0.42 0.10 1.39 4.77 -1.26 -4.87 117.00 121.90 2jtc n LEU 101 Ca 0.53 0.77 -0.04 0.00 -0.03 0.00 0.00 56.01 57.25 2jtc n LEU 101 Cb 0.25 -1.08 -0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2jtc n LEU 101 CO 0.85 -3.37 0.30 1.55 -1.33 0.00 0.00 177.39 175.39 2jtc h PRO 102 N 0.36 0.00 -3.88 3.23 0.13 -1.83 -3.44 132.00 126.58 2jtc h PRO 102 Ca -0.43 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.27 2jtc h PRO 102 Cb 1.41 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.18 2jtc h PRO 102 CO 0.47 0.80 -0.77 -0.08 -0.23 0.00 0.00 178.00 178.20 2jtc s THR 103 N -3.01 0.48 -0.08 1.56 -1.32 -0.82 0.28 115.64 112.74 2jtc s THR 103 Ca 0.01 -0.01 -0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2jtc s THR 103 Cb 0.10 -0.57 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 2jtc s THR 103 CO 0.79 0.25 -0.05 -0.31 -2.21 0.00 0.00 174.62 173.09 2jtc s TYR 104 N 1.46 3.00 -2.82 9.09 2.02 -1.23 -4.90 117.35 123.97 2jtc s TYR 104 Ca -0.02 0.03 0.24 0.00 -0.37 0.00 0.00 57.07 56.94 2jtc s TYR 104 Cb -0.13 -1.76 0.27 0.00 -0.40 0.00 0.00 41.96 39.94 2jtc s TYR 104 CO -0.03 0.33 1.30 -1.13 -1.57 0.00 0.00 175.55 174.45 2jtc n SER 105 N 2.34 3.16 0.00 2.29 3.41 -1.26 -4.92 113.62 118.64 2jtc n SER 105 Ca -0.18 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 2jtc n SER 105 Cb 0.53 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.40 0.92 0.00 5.00 0.00 -1.26 -4.82 105.19 106.43 2jtc n GLY 106 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.07 2.85 -1.33 1.61 5.12 -1.26 -4.94 116.66 116.63 2jtc n ARG 107 Ca 0.00 -1.46 -0.27 0.00 -1.93 0.00 0.00 57.85 54.19 2jtc n ARG 107 Cb 0.00 -1.00 0.21 0.00 -1.16 0.00 0.00 32.46 30.51 2jtc n ARG 107 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2jtc n GLU 108 N -0.48 -2.11 -1.63 5.56 4.71 -1.26 -5.04 120.64 120.39 2jtc n GLU 108 Ca 0.00 -1.73 -0.29 0.00 -0.01 0.00 0.00 57.16 55.12 2jtc n GLU 108 Cb 0.24 -1.38 0.17 0.00 -1.01 0.00 0.00 31.44 29.47 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 -4.80 2.88 0.08 1.62 1.04 -1.26 -4.93 113.70 108.32 2jtc s SER 109 Ca 0.67 0.59 -0.08 0.00 0.48 0.00 0.00 55.95 57.61 2jtc s SER 109 Cb -0.04 -0.86 -0.24 0.00 0.10 0.00 0.00 66.02 64.97 2jtc s SER 109 CO 0.49 -2.91 1.16 0.78 0.98 0.00 0.00 173.24 173.74 2jtc h ASN 110 N -1.75 0.60 0.32 7.02 4.21 -1.97 -2.88 115.58 121.12 2jtc h ASN 110 Ca -0.46 -0.58 -0.00 0.00 1.21 0.00 0.00 56.30 56.47 2jtc h ASN 110 Cb 1.28 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 38.26 2jtc h ASN 110 CO 0.46 1.42 -0.50 0.58 -1.29 0.00 0.00 177.43 178.11 2jtc h VAL 111 N 0.16 0.04 -0.28 2.81 2.07 -1.98 1.56 116.25 120.63 2jtc h VAL 111 Ca -0.15 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2jtc h VAL 111 Cb 1.88 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2jtc h VAL 111 CO 0.21 0.00 0.08 1.56 0.02 0.00 0.00 177.57 179.44 2jtc h GLN 112 N -0.87 0.40 -0.30 1.57 7.50 -1.79 -1.10 115.11 120.52 2jtc h GLN 112 Ca -0.03 -0.05 -0.07 0.00 0.50 0.00 0.00 58.65 59.00 2jtc h GLN 112 Cb 0.81 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.25 2jtc h GLN 112 CO -0.16 0.36 -0.10 0.87 -1.50 0.00 0.00 178.83 178.29 2jtc h LYS 113 N 0.40 0.59 -0.39 1.46 1.57 -0.99 -2.21 116.57 116.99 2jtc h LYS 113 Ca 0.10 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2jtc h LYS 113 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2jtc h LYS 113 CO -0.01 0.80 0.26 1.98 -0.57 0.00 0.00 179.45 181.91 2jtc h MET 114 N 0.35 0.40 0.16 3.15 4.05 0.31 0.36 114.93 123.71 2jtc h MET 114 Ca 0.07 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2jtc h MET 114 Cb 0.60 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 2jtc h MET 114 CO 0.04 0.27 -0.11 0.00 0.23 0.00 0.00 176.91 177.33 2jtc h ALA 115 N 1.78 -0.94 -0.77 0.39 0.00 -0.61 0.83 119.26 119.93 2jtc h ALA 115 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2jtc h ALA 115 Cb 0.11 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2jtc h ALA 115 CO -0.04 -0.93 0.40 0.97 0.00 0.00 0.00 179.25 179.65 2jtc h ILE 116 N -0.25 1.24 -1.01 0.00 6.09 -1.28 0.31 117.51 122.61 2jtc h ILE 116 Ca -0.02 -0.63 0.07 0.00 -1.37 0.00 0.00 64.86 62.91 2jtc h ILE 116 Cb 0.21 0.25 -0.07 0.00 0.47 0.00 0.00 36.82 37.67 2jtc h ILE 116 CO 0.01 0.27 0.65 0.77 -3.07 0.00 0.00 178.15 176.79 2jtc h SER 117 N 1.07 1.04 -0.25 2.19 4.64 -0.16 1.27 113.55 123.34 2jtc h SER 117 Ca 0.27 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2jtc h SER 117 Cb 0.07 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2jtc h SER 117 CO -0.04 0.66 -0.28 -0.08 -0.87 0.00 0.00 176.83 176.22 2jtc h GLU 118 N 1.17 0.63 -0.27 4.77 4.81 0.14 0.56 114.58 126.40 2jtc h GLU 118 Ca 0.44 -0.34 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2jtc h GLU 118 Cb 0.18 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2jtc h GLU 118 CO -0.18 0.95 0.08 1.25 -0.73 0.00 0.00 179.01 180.38 2jtc h LEU 119 N 0.35 0.07 -0.37 1.64 5.85 0.45 1.14 115.31 124.44 2jtc h LEU 119 Ca 0.04 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2jtc h LEU 119 Cb 0.84 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 2jtc h LEU 119 CO 0.07 0.07 0.12 0.24 -0.34 0.00 0.00 178.44 178.60 2jtc h MET 120 N 0.19 0.27 -0.66 1.25 2.86 0.18 1.20 114.93 120.22 2jtc h MET 120 Ca 0.12 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2jtc h MET 120 Cb 0.10 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2jtc h MET 120 CO -0.14 0.18 0.13 0.00 1.06 0.00 0.00 176.91 178.14 2jtc h ALA 121 N 1.24 0.99 0.29 6.32 0.00 0.13 2.29 119.26 130.53 2jtc h ALA 121 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jtc h ALA 121 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jtc h ALA 121 CO -0.18 0.65 -0.14 -0.44 0.00 0.00 0.00 179.25 179.14 2jtc h ASP 122 N 1.00 -0.33 0.37 0.00 3.32 0.25 0.88 116.42 121.91 2jtc h ASP 122 Ca 0.20 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2jtc h ASP 122 Cb 0.39 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2jtc h ASP 122 CO 0.01 -0.02 -0.18 0.58 -1.72 0.00 0.00 179.24 177.90 2jtc h VAL 123 N -0.65 0.61 -0.53 -1.35 2.07 0.16 1.54 116.25 118.10 2jtc h VAL 123 Ca -0.04 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 67.14 2jtc h VAL 123 Cb 0.46 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 2jtc h VAL 123 CO 0.07 0.08 -0.28 1.23 0.02 0.00 0.00 177.57 178.69 2jtc h GLY 124 N -0.77 -0.00 0.70 2.17 0.00 0.38 0.23 103.07 105.78 2jtc h GLY 124 Ca -0.05 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2jtc h GLY 124 CO 0.08 -0.22 -0.11 -2.22 0.00 0.00 0.00 176.54 174.08 2jtc h ILE 125 N -0.15 0.85 -1.29 2.60 2.04 -0.73 0.11 117.51 120.93 2jtc h ILE 125 Ca 0.23 -0.58 0.38 0.00 1.00 0.00 0.00 64.86 65.89 2jtc h ILE 125 Cb 0.52 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.69 2jtc h ILE 125 CO -0.62 0.12 0.88 0.77 0.00 0.00 0.00 178.15 179.31 2jtc h SER 126 N -0.60 0.20 -0.99 1.72 4.64 0.35 0.86 113.55 119.73 2jtc h SER 126 Ca -0.03 0.06 -0.65 0.00 -0.47 0.00 0.00 61.79 60.70 2jtc h SER 126 Cb 0.44 0.04 -0.30 0.00 -0.31 0.00 0.00 62.40 62.27 2jtc h SER 126 CO 0.05 -0.03 0.78 1.33 -0.87 0.00 0.00 176.83 178.09 2jtc n VAL 127 N -4.42 3.54 -4.06 0.95 0.24 0.67 -4.70 118.33 110.54 2jtc n VAL 127 Ca 0.31 -2.85 -0.30 0.00 -2.04 0.00 0.00 64.34 59.46 2jtc n VAL 127 Cb 1.30 -1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.54 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 -0.94 -0.06 -4.72 -1.34 8.00 0.30 -4.10 116.55 113.69 2jtc n ASP 128 Ca 0.62 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 54.59 2jtc n ASP 128 Cb 0.80 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 2jtc n ASP 128 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2jtc s MET 129 N -6.85 4.27 -0.14 -1.24 1.75 0.35 -4.57 119.30 112.87 2jtc s MET 129 Ca 0.09 2.22 -0.29 0.00 -1.25 0.00 0.00 55.69 56.46 2jtc s MET 129 Cb -0.05 -3.19 -0.01 0.00 2.84 0.00 0.00 34.83 34.42 2jtc s MET 129 CO 0.85 -0.51 1.17 0.34 -0.65 0.00 0.00 175.02 176.22 2jtc s ASP 130 N 1.04 7.04 -0.26 1.11 2.15 0.21 -4.87 116.67 123.08 2jtc s ASP 130 Ca 0.66 1.64 -0.09 0.00 0.43 0.00 0.00 52.55 55.19 2jtc s ASP 130 Cb -0.40 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.63 2jtc s ASP 130 CO 0.32 -0.66 0.12 -0.31 -0.17 0.00 0.00 175.17 174.47 2jtc s TYR 131 N 2.92 3.14 0.00 -5.34 2.02 -1.26 -2.09 117.35 116.74 2jtc s TYR 131 Ca 0.52 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 2jtc s TYR 131 Cb -0.21 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.06 2jtc s TYR 131 CO 0.15 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 2jtc n GLY 132 N 4.94 3.53 0.26 0.71 0.00 -1.26 -4.85 105.19 108.51 2jtc n GLY 132 Ca -0.15 -1.10 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 0.19 -6.16 1.61 0.13 -1.89 -2.11 132.00 123.77 2jtc h PRO 133 Ca 0.00 -0.03 -0.68 0.00 -0.87 0.00 0.00 66.00 64.43 2jtc h PRO 133 Cb 0.00 -0.03 -0.17 0.00 0.13 0.00 0.00 31.00 30.93 2jtc h PRO 133 CO 0.00 0.24 -0.67 -1.12 -0.23 0.00 0.00 178.00 176.22 2jtc s SER 134 N -6.92 4.85 -0.24 1.44 0.01 -1.26 -4.01 113.70 107.58 2jtc s SER 134 Ca -0.06 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.19 2jtc s SER 134 Cb 0.16 -1.23 0.06 0.00 0.21 0.00 0.00 66.02 65.22 2jtc s SER 134 CO 0.71 0.33 -0.06 -0.44 0.41 0.00 0.00 173.24 174.18 2jtc s SER 135 N -1.16 3.97 -0.10 2.44 0.01 -1.26 -4.62 113.70 112.99 2jtc s SER 135 Ca 0.15 -1.23 -0.02 0.00 1.31 0.00 0.00 55.95 56.17 2jtc s SER 135 Cb -0.11 -1.25 -0.03 0.00 0.21 0.00 0.00 66.02 64.84 2jtc s SER 135 CO 0.05 -0.23 -0.03 -0.83 0.41 0.00 0.00 173.24 172.62 2jtc s GLY 136 N 1.34 1.78 0.00 3.44 0.00 -0.89 -3.65 107.32 109.34 2jtc s GLY 136 Ca -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.83 2jtc s GLY 136 CO -0.06 -0.46 0.00 -1.26 0.00 0.00 0.00 173.10 171.31 2jtc n SER 137 N 2.52 1.74 -0.11 1.64 2.88 -1.26 0.63 113.62 121.66 2jtc n SER 137 Ca -0.18 -0.22 -0.22 0.00 -1.33 0.00 0.00 58.87 56.92 2jtc n SER 137 Cb 0.53 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.84 0.00 -1.46 0.00 -1.26 -2.84 120.51 112.79 2jtc n ALA 138 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2jtc n ALA 138 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.41 0.14 0.44 0.00 0.00 -1.26 -2.02 105.19 103.90 2jtc n GLY 139 Ca -0.34 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.71 -0.95 1.61 0.02 -1.93 2.68 113.55 113.26 2jtc h SER 140 Ca 0.00 0.21 0.25 0.00 -0.84 0.00 0.00 61.79 61.42 2jtc h SER 140 Cb 0.00 0.69 -0.13 0.00 0.14 0.00 0.00 62.40 63.09 2jtc h SER 140 CO 0.00 -0.42 0.48 0.77 -1.14 0.00 0.00 176.83 176.52 2jtc h SER 141 N -0.46 0.44 0.22 3.07 4.64 -1.97 1.42 113.55 120.92 2jtc h SER 141 Ca 0.05 0.16 -0.30 0.00 -0.47 0.00 0.00 61.79 61.23 2jtc h SER 141 Cb 0.60 0.12 0.04 0.00 -0.31 0.00 0.00 62.40 62.84 2jtc h SER 141 CO -0.50 -0.01 -1.31 0.03 -0.87 0.00 0.00 176.83 174.17 2jtc h ARG 142 N 0.42 0.49 0.59 4.77 2.47 -1.47 -3.00 114.38 118.66 2jtc h ARG 142 Ca 0.62 -0.83 -0.03 0.00 -1.26 0.00 0.00 59.98 58.49 2jtc h ARG 142 Cb 1.25 0.31 0.01 0.00 -1.65 0.00 0.00 29.97 29.88 2jtc h ARG 142 CO -0.54 1.40 -0.28 0.28 0.56 0.00 0.00 179.97 181.38 2jtc h VAL 143 N 0.02 0.00 -0.68 2.04 2.07 0.75 0.40 116.25 120.85 2jtc h VAL 143 Ca -0.23 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.03 2jtc h VAL 143 Cb 2.03 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 2jtc h VAL 143 CO 0.25 0.00 0.45 0.06 0.02 0.00 0.00 177.57 178.35 2jtc h GLN 144 N -1.15 0.52 -0.17 1.57 -0.00 0.16 0.31 115.11 116.34 2jtc h GLN 144 Ca -0.08 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.45 2jtc h GLN 144 Cb 0.61 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.48 27.97 2jtc h GLN 144 CO 0.13 0.34 -0.25 -0.09 -0.00 0.00 0.00 178.83 178.96 2jtc h ARG 145 N 0.53 0.47 -0.36 0.06 2.43 -1.46 -3.13 114.38 112.92 2jtc h ARG 145 Ca 0.31 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 2jtc h ARG 145 Cb 0.52 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2jtc h ARG 145 CO -0.10 0.87 -0.24 0.00 -1.51 0.00 0.00 179.97 178.99 2jtc h ALA 146 N 0.60 0.92 0.16 2.80 0.00 0.12 0.23 119.26 124.08 2jtc h ALA 146 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2jtc h ALA 146 Cb 0.82 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2jtc h ALA 146 CO 0.06 0.62 -0.27 -0.07 0.00 0.00 0.00 179.25 179.59 2jtc h LEU 147 N 0.62 -0.76 0.10 0.00 3.38 -0.45 -1.50 115.31 116.69 2jtc h LEU 147 Ca 0.09 0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.87 2jtc h LEU 147 Cb 0.73 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2jtc h LEU 147 CO 0.06 -0.37 -1.26 0.11 0.09 0.00 0.00 178.44 177.07 2jtc h LYS 148 N -0.51 0.20 0.09 1.13 1.57 -1.53 0.39 116.57 117.91 2jtc h LYS 148 Ca 0.02 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2jtc h LYS 148 Cb 0.51 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2jtc h LYS 148 CO -0.13 1.13 -0.04 0.93 -0.57 0.00 0.00 179.45 180.77 2jtc h GLU 149 N 0.05 -0.12 0.04 3.15 5.08 -0.45 -2.13 114.58 120.21 2jtc h GLU 149 Ca -0.13 0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 57.99 2jtc h GLU 149 Cb 1.94 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.19 2jtc h GLU 149 CO 0.18 -0.08 -1.19 -0.91 -1.00 0.00 0.00 179.01 176.00 2jtc h ASN 150 N -0.34 0.14 -0.00 1.42 4.21 -1.48 -3.33 115.58 116.20 2jtc h ASN 150 Ca -0.01 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.33 2jtc h ASN 150 Cb 0.09 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2jtc h ASN 150 CO 0.02 1.13 -0.71 0.49 -1.29 0.00 0.00 177.43 177.07 2jtc n PHE 151 N -3.37 0.00 -3.67 1.19 3.72 -0.69 -1.75 117.46 112.89 2jtc n PHE 151 Ca -0.06 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.07 2jtc n PHE 151 Cb 0.98 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.55 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 1.39 -0.50 3.64 1.37 0.00 0.77 -4.58 105.19 107.27 2jtc n GLY 152 Ca 0.05 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.21 1.69 0.38 1.61 1.51 0.10 -4.83 117.35 114.60 2jtc s TYR 153 Ca 0.56 1.57 -0.24 0.00 -1.01 0.00 0.00 57.07 57.96 2jtc s TYR 153 Cb -0.28 -3.24 -0.13 0.00 -0.11 0.00 0.00 41.96 38.20 2jtc s TYR 153 CO 0.70 -2.96 0.68 -1.71 -1.11 0.00 0.00 175.55 171.15 2jtc n ASN 154 N -4.32 -0.27 0.34 2.29 2.85 0.28 -4.60 115.26 111.83 2jtc n ASN 154 Ca 0.09 0.99 0.16 0.00 -0.11 0.00 0.00 54.58 55.71 2jtc n ASN 154 Cb 0.53 -1.16 0.83 0.00 1.24 0.00 0.00 39.78 41.22 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 1.12 0.00 0.00 1.20 1.08 -1.88 0.41 115.11 117.04 2jtc h GLN 155 Ca -0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2jtc h GLN 155 Cb 1.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 2jtc h GLN 155 CO 0.54 0.00 0.25 0.66 -0.95 0.00 0.00 178.83 179.33 2jtc h SER 156 N 0.00 0.00 -2.65 1.46 4.64 -1.84 -3.41 113.55 111.76 2jtc h SER 156 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2jtc h SER 156 Cb 0.64 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.78 2jtc h SER 156 CO 0.00 0.00 1.03 -0.69 -0.87 0.00 0.00 176.83 176.30 2jtc s VAL 157 N -3.63 2.39 0.09 0.95 1.01 0.13 -4.69 120.40 116.65 2jtc s VAL 157 Ca -0.02 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 2jtc s VAL 157 Cb 0.06 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2jtc s VAL 157 CO 0.19 0.01 0.26 -1.38 0.00 0.00 0.00 175.10 174.18 2jtc s HIS 158 N 1.86 0.01 0.06 5.22 -3.43 -1.17 -5.01 115.29 112.83 2jtc s HIS 158 Ca 0.76 -0.35 0.01 0.00 -0.80 0.00 0.00 55.06 54.68 2jtc s HIS 158 Cb -0.47 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 30.69 2jtc s HIS 158 CO 0.33 -0.57 0.14 -1.14 -2.00 0.00 0.00 174.74 171.51 2jtc s GLN 159 N -3.53 3.16 0.06 -0.38 0.74 -1.26 -1.50 119.66 116.95 2jtc s GLN 159 Ca 0.02 -0.54 0.06 0.00 0.05 0.00 0.00 55.36 54.95 2jtc s GLN 159 Cb 0.03 -2.89 -0.03 0.00 1.10 0.00 0.00 33.01 31.22 2jtc s GLN 159 CO -0.09 0.60 -0.17 0.96 -0.55 0.00 0.00 175.29 176.04 2jtc s ILE 160 N -1.41 1.36 -0.39 -2.34 -4.36 0.83 -4.90 121.20 109.99 2jtc s ILE 160 Ca 0.31 -1.18 -0.04 0.00 -0.26 0.00 0.00 60.65 59.48 2jtc s ILE 160 Cb -0.13 -1.23 0.09 0.00 1.25 0.00 0.00 42.46 42.45 2jtc s ILE 160 CO 0.23 0.02 0.17 0.20 0.24 0.00 0.00 174.94 175.80 2jtc s ASN 161 N -1.36 5.24 0.56 4.36 0.02 -1.26 0.22 114.94 122.73 2jtc s ASN 161 Ca 0.03 -1.78 0.34 0.00 -1.02 0.00 0.00 52.86 50.43 2jtc s ASN 161 Cb -0.09 -1.83 1.47 0.00 0.02 0.00 0.00 41.25 40.82 2jtc s ASN 161 CO 0.02 -0.48 1.77 -0.09 0.02 0.00 0.00 177.10 178.34 2jtc h ARG 162 N 8.10 0.00 0.00 -0.60 9.65 -1.48 0.85 114.38 130.90 2jtc h ARG 162 Ca -0.16 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.66 2jtc h ARG 162 Cb 1.06 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 2jtc h ARG 162 CO 0.67 0.00 -0.25 0.78 2.80 0.00 0.00 179.97 183.97 2jtc h GLY 163 N 0.00 0.00 -1.87 2.80 0.00 -1.91 -2.86 103.07 99.23 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 -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2jtc n ASP 164 N -3.91 3.09 -4.67 0.19 8.00 0.29 -4.99 116.55 114.55 2jtc n ASP 164 Ca -0.02 -1.90 -0.28 0.00 0.71 0.00 0.00 54.79 53.31 2jtc n ASP 164 Cb 0.33 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 41.15 2jtc n ASP 164 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jtc s PHE 165 N -1.32 2.46 -0.14 1.24 0.40 -1.04 -5.02 117.98 114.55 2jtc s PHE 165 Ca 0.31 -0.68 -0.06 0.00 -0.60 0.00 0.00 56.93 55.90 2jtc s PHE 165 Cb 0.18 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 2jtc s PHE 165 CO 0.26 0.33 0.06 -1.54 0.70 0.00 0.00 175.22 175.03 2jtc s SER 166 N -3.79 5.66 0.17 1.36 1.04 -1.26 -4.87 113.70 112.01 2jtc s SER 166 Ca 0.34 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.97 2jtc s SER 166 Cb 0.07 -1.85 0.47 0.00 0.10 0.00 0.00 66.02 64.81 2jtc s SER 166 CO 0.18 0.27 0.83 1.17 0.98 0.00 0.00 173.24 176.67 2jtc n LYS 167 N 2.86 -0.04 0.18 4.02 4.81 -1.26 0.15 118.16 128.87 2jtc n LYS 167 Ca -0.18 0.78 -0.07 0.00 -0.87 0.00 0.00 58.31 57.97 2jtc n LYS 167 Cb 0.53 -1.27 -0.03 0.00 0.02 0.00 0.00 35.03 34.28 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 -0.44 0.00 1.64 7.50 -2.00 -0.94 115.11 120.88 2jtc h GLN 168 Ca 0.35 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.53 2jtc h GLN 168 Cb 0.78 0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.41 2jtc h GLN 168 CO -0.48 -0.29 0.00 -0.44 -1.50 0.00 0.00 178.83 176.12 2jtc h ASP 169 N -0.52 0.00 -0.02 1.46 5.19 -1.05 -1.93 116.42 119.56 2jtc h ASP 169 Ca -0.05 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 2jtc h ASP 169 Cb 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2jtc h ASP 169 CO 0.08 0.00 -0.04 -0.25 -3.12 0.00 0.00 179.24 175.90 2jtc h TRP 170 N 0.00 0.07 -0.19 4.55 -0.00 0.17 -3.10 115.95 117.46 2jtc h TRP 170 Ca 0.00 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.77 2jtc h TRP 170 Cb 0.13 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.27 2jtc h TRP 170 CO 0.00 0.65 -0.30 0.93 -0.00 0.00 0.00 178.44 179.73 2jtc h GLU 171 N -0.53 0.38 -0.73 2.65 5.08 -0.62 -2.73 114.58 118.08 2jtc h GLU 171 Ca -0.00 -0.15 0.16 0.00 -1.00 0.00 0.00 59.36 58.37 2jtc h GLU 171 Cb 0.65 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.75 2jtc h GLU 171 CO 0.01 0.64 -0.02 0.00 -1.00 0.00 0.00 179.01 178.65 2jtc h ALA 172 N 1.36 0.72 -0.80 3.43 0.00 -1.31 2.32 119.26 124.98 2jtc h ALA 172 Ca 0.05 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2jtc h ALA 172 Cb 0.69 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2jtc h ALA 172 CO 0.05 -0.42 0.47 1.96 0.00 0.00 0.00 179.25 181.31 2jtc h GLN 173 N 0.09 1.09 0.13 0.00 1.08 -1.41 0.05 115.11 116.14 2jtc h GLN 173 Ca 0.39 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.48 2jtc h GLN 173 Cb 0.68 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2jtc h GLN 173 CO -0.66 0.78 -0.06 0.82 -0.95 0.00 0.00 178.83 178.76 2jtc h ILE 174 N 1.11 0.00 -0.35 2.54 2.04 0.15 -2.70 117.51 120.29 2jtc h ILE 174 Ca 0.29 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.73 2jtc h ILE 174 Cb -0.02 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.97 2jtc h ILE 174 CO -0.05 0.00 -0.29 0.44 0.00 0.00 0.00 178.15 178.25 2jtc h ASP 175 N -0.66 -0.97 -0.99 1.72 3.32 0.33 0.52 116.42 119.69 2jtc h ASP 175 Ca -0.02 0.17 0.17 0.00 0.02 0.00 0.00 57.03 57.38 2jtc h ASP 175 Cb 0.13 0.46 -0.10 0.00 0.22 0.00 0.00 39.33 40.04 2jtc h ASP 175 CO 0.03 -0.31 0.60 0.50 -1.72 0.00 0.00 179.24 178.35 2jtc h LYS 176 N -0.25 0.78 0.02 3.56 3.64 -1.12 1.26 116.57 124.46 2jtc h LYS 176 Ca 0.17 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2jtc h LYS 176 Cb 0.51 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2jtc h LYS 176 CO -0.49 0.51 -0.01 0.93 -2.27 0.00 0.00 179.45 178.12 2jtc h GLU 177 N 0.80 -0.03 0.00 1.90 4.39 0.20 -2.06 114.58 119.78 2jtc h GLU 177 Ca 0.56 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.21 2jtc h GLU 177 Cb 0.80 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2jtc h GLU 177 CO -0.36 0.03 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.20 2jtc h LEU 178 N -0.09 0.00 -1.21 1.33 3.38 0.21 0.21 115.31 119.15 2jtc h LEU 178 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2jtc h LEU 178 Cb 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 2jtc h LEU 178 CO 0.01 0.25 0.61 0.77 0.09 0.00 0.00 178.44 180.17 2jtc h SER 179 N 0.00 0.65 -0.96 -0.43 4.64 0.22 1.01 113.55 118.68 2jtc h SER 179 Ca -0.00 0.07 -0.56 0.00 -0.47 0.00 0.00 61.79 60.83 2jtc h SER 179 Cb 0.62 -0.05 -0.29 0.00 -0.31 0.00 0.00 62.40 62.37 2jtc h SER 179 CO 0.03 0.25 0.67 0.00 -0.87 0.00 0.00 176.83 176.92 2jtc n GLN 180 N -4.65 2.42 -4.04 4.77 6.02 -1.02 -4.87 117.38 116.01 2jtc n GLN 180 Ca 0.21 -3.15 -0.28 0.00 -0.01 0.00 0.00 57.00 53.78 2jtc n GLN 180 Cb 0.60 -2.20 -0.04 0.00 1.02 0.00 0.00 30.24 29.62 2jtc n GLN 180 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jtc n ASN 181 N -1.06 -0.26 -3.96 1.08 5.03 0.35 -4.91 115.26 111.53 2jtc n ASN 181 Ca 0.59 -1.09 -0.31 0.00 0.87 0.00 0.00 54.58 54.65 2jtc n ASN 181 Cb 1.26 -2.65 -0.15 0.00 -1.02 0.00 0.00 39.78 37.22 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2jtc s GLN 182 N -6.77 1.63 1.13 3.52 -0.21 0.72 -4.94 119.66 114.73 2jtc s GLN 182 Ca 0.03 -1.24 -0.13 0.00 0.02 0.00 0.00 55.36 54.05 2jtc s GLN 182 Cb -0.01 -2.71 0.26 0.00 1.00 0.00 0.00 33.01 31.55 2jtc s GLN 182 CO 0.92 -0.69 1.05 -1.25 -2.12 0.00 0.00 175.29 173.19 2jtc s PRO 183 N 1.26 -0.62 -0.05 2.91 0.04 -1.26 -2.37 135.00 134.92 2jtc s PRO 183 Ca -0.02 0.67 0.05 0.00 0.04 0.00 0.00 61.00 61.75 2jtc s PRO 183 Cb -0.19 -1.60 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 2jtc s PRO 183 CO -0.08 -3.48 -0.20 0.08 0.04 0.00 0.00 177.00 173.36 2jtc s VAL 184 N -2.63 1.67 -0.29 -0.36 1.01 -0.00 -4.47 120.40 115.33 2jtc s VAL 184 Ca 0.68 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 2jtc s VAL 184 Cb -0.23 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2jtc s VAL 184 CO 0.62 0.47 0.92 -0.47 0.00 0.00 0.00 175.10 176.64 2jtc s TYR 185 N -0.02 3.23 0.16 5.22 6.14 -0.64 -1.26 117.35 130.17 2jtc s TYR 185 Ca -0.04 1.08 0.09 0.00 0.64 0.00 0.00 57.07 58.85 2jtc s TYR 185 Cb -0.13 -3.33 -0.04 0.00 0.42 0.00 0.00 41.96 38.89 2jtc s TYR 185 CO 0.03 -0.58 -0.21 -0.47 0.64 0.00 0.00 175.55 174.96 2jtc s TYR 186 N 3.17 1.99 -0.28 4.97 6.14 0.99 -0.39 117.35 133.93 2jtc s TYR 186 Ca 0.38 -0.42 -0.21 0.00 0.64 0.00 0.00 57.07 57.46 2jtc s TYR 186 Cb -0.14 -1.02 0.11 0.00 0.42 0.00 0.00 41.96 41.33 2jtc s TYR 186 CO 0.11 0.35 0.88 1.14 0.64 0.00 0.00 175.55 178.67 2jtc s GLN 187 N -2.51 0.59 -0.35 4.97 -2.07 -1.01 0.17 119.66 119.46 2jtc s GLN 187 Ca 0.15 0.84 -0.19 0.00 -1.82 0.00 0.00 55.36 54.33 2jtc s GLN 187 Cb -0.08 0.22 -0.00 0.00 -1.09 0.00 0.00 33.01 32.06 2jtc s GLN 187 CO 0.07 -0.09 0.59 0.20 -1.32 0.00 0.00 175.29 174.73 2jtc s GLY 188 N 0.83 1.78 0.32 2.60 0.00 0.13 -2.73 107.32 110.25 2jtc s GLY 188 Ca -0.03 -0.90 -0.24 0.00 0.00 0.00 0.00 44.72 43.55 2jtc s GLY 188 CO -0.10 1.40 0.91 0.14 0.00 0.00 0.00 173.10 175.45 2jtc s VAL 189 N 2.57 4.29 0.00 1.40 1.01 0.54 -1.42 120.40 128.80 2jtc s VAL 189 Ca 0.22 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2jtc s VAL 189 Cb -0.15 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2jtc s VAL 189 CO 0.14 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2jtc n GLY 190 N 0.43 4.96 0.08 4.51 0.00 -0.60 -1.67 105.19 112.90 2jtc n GLY 190 Ca 0.02 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 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 1.79 -1.96 -3.34 116.57 114.67 2jtc h LYS 191 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jtc h LYS 191 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2jtc h LYS 191 CO 0.00 0.59 -0.19 1.33 -1.08 0.00 0.00 179.45 180.10 2jtc n VAL 192 N -3.10 0.33 0.00 0.50 0.24 -1.26 -5.03 118.33 110.00 2jtc n VAL 192 Ca -0.13 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2jtc n VAL 192 Cb 1.02 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 1.38 0.92 3.49 7.63 0.00 -1.25 -4.70 105.19 112.66 2jtc n GLY 193 Ca 0.05 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 1.93 -0.18 -0.02 0.00 -0.86 -1.55 107.32 106.65 2jtc s GLY 194 Ca 0.00 -1.53 -0.29 0.00 0.00 0.00 0.00 44.72 42.89 2jtc s GLY 194 CO 0.00 1.05 1.49 -1.58 0.00 0.00 0.00 173.10 174.06 2jtc s HIS 195 N 1.97 2.34 0.27 1.90 2.46 -0.50 -4.37 115.29 119.36 2jtc s HIS 195 Ca 0.10 0.63 0.08 0.00 0.47 0.00 0.00 55.06 56.33 2jtc s HIS 195 Cb -0.18 -3.84 -0.04 0.00 -0.13 0.00 0.00 32.58 28.40 2jtc s HIS 195 CO 0.12 -2.66 0.16 0.00 -2.47 0.00 0.00 174.74 169.88 2jtc s ALA 196 N 4.39 3.51 0.23 1.58 0.00 -1.26 0.21 121.76 130.42 2jtc s ALA 196 Ca 0.65 -1.53 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 2jtc s ALA 196 Cb -0.25 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.78 2jtc s ALA 196 CO 0.25 0.21 0.65 -0.59 0.00 0.00 0.00 175.76 176.28 2jtc s PHE 197 N -2.22 -0.26 -0.08 0.00 -0.12 0.46 -3.38 117.98 112.38 2jtc s PHE 197 Ca 0.34 -0.12 0.02 0.00 -0.05 0.00 0.00 56.93 57.12 2jtc s PHE 197 Cb -0.07 0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 2jtc s PHE 197 CO 0.24 -1.08 -0.14 0.08 -0.05 0.00 0.00 175.22 174.27 2jtc s VAL 198 N -3.87 3.06 -0.22 -2.49 1.01 -1.15 -0.01 120.40 116.73 2jtc s VAL 198 Ca 0.08 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 2jtc s VAL 198 Cb -0.04 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2jtc s VAL 198 CO 0.00 0.57 0.21 -0.63 0.00 0.00 0.00 175.10 175.25 2jtc s ILE 199 N -0.31 5.33 -0.06 2.22 1.01 -0.39 -0.04 121.20 128.96 2jtc s ILE 199 Ca 0.03 0.30 0.25 0.00 0.00 0.00 0.00 60.65 61.23 2jtc s ILE 199 Cb -0.13 -3.55 0.45 0.00 0.01 0.00 0.00 42.46 39.24 2jtc s ILE 199 CO 0.03 0.34 1.16 -0.90 0.00 0.00 0.00 174.94 175.56 2jtc n ASP 200 N 4.22 1.14 -3.57 3.58 5.68 -0.44 -0.82 116.55 126.33 2jtc n ASP 200 Ca -0.14 -2.01 -0.03 0.00 -0.50 0.00 0.00 54.79 52.11 2jtc n ASP 200 Cb 0.52 -0.34 -0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 -2.42 -0.09 -0.08 6.12 0.00 -1.23 0.26 107.32 109.88 2jtc s GLY 201 Ca 0.32 -0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 2jtc s GLY 201 CO -0.14 0.80 0.72 0.00 0.00 0.00 0.00 173.10 174.47 2jtc s ALA 202 N -2.84 -1.79 -0.20 3.20 0.00 0.26 -2.72 121.76 117.68 2jtc s ALA 202 Ca 0.16 1.40 0.12 0.00 0.00 0.00 0.00 51.96 53.63 2jtc s ALA 202 Cb -0.02 -0.16 0.43 0.00 0.00 0.00 0.00 23.12 23.37 2jtc s ALA 202 CO 0.04 -0.36 1.21 -0.25 0.00 0.00 0.00 175.76 176.39 2jtc n ASP 203 N 1.02 2.10 -1.86 0.00 8.00 0.27 0.19 116.55 126.27 2jtc n ASP 203 Ca -0.18 -3.65 -0.05 0.00 0.71 0.00 0.00 54.79 51.62 2jtc n ASP 203 Cb 0.57 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jtc n GLY 204 N -0.88 -0.07 0.67 0.44 0.00 -1.19 -4.59 105.19 99.56 2jtc n GLY 204 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.01 0.00 -1.41 1.61 1.74 -1.26 -4.71 116.66 110.62 2jtc n ARG 205 Ca -0.05 -1.07 -0.02 0.00 -0.77 0.00 0.00 57.85 55.94 2jtc n ARG 205 Cb 0.36 -0.35 -0.01 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.08 -2.66 -4.14 0.55 2.85 -1.26 -5.03 115.26 105.65 2jtc n ASN 206 Ca 0.00 0.03 -0.30 0.00 -0.11 0.00 0.00 54.58 54.21 2jtc n ASN 206 Cb 0.75 -0.97 -0.17 0.00 1.24 0.00 0.00 39.78 40.64 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2jtc s PHE 207 N -2.09 2.25 0.40 1.20 0.08 -1.26 -4.92 117.98 113.63 2jtc s PHE 207 Ca 0.00 -0.97 0.05 0.00 0.12 0.00 0.00 56.93 56.13 2jtc s PHE 207 Cb 0.00 -1.54 -0.06 0.00 -0.57 0.00 0.00 43.02 40.84 2jtc s PHE 207 CO 0.00 -0.43 0.03 0.71 -0.10 0.00 0.00 175.22 175.43 2jtc s TYR 208 N 0.59 2.23 -0.05 0.36 1.51 -1.26 0.95 117.35 121.68 2jtc s TYR 208 Ca -0.14 -0.83 -0.15 0.00 -1.01 0.00 0.00 57.07 54.94 2jtc s TYR 208 Cb -0.17 -1.58 -0.05 0.00 -0.11 0.00 0.00 41.96 40.06 2jtc s TYR 208 CO 0.04 0.25 0.40 -1.58 -1.11 0.00 0.00 175.55 173.55 2jtc s HIS 209 N -2.93 3.64 -0.03 2.71 5.65 -1.10 -2.05 115.29 121.18 2jtc s HIS 209 Ca 0.31 0.90 0.04 0.00 0.25 0.00 0.00 55.06 56.56 2jtc s HIS 209 Cb 0.08 -2.34 -0.00 0.00 -1.18 0.00 0.00 32.58 29.13 2jtc s HIS 209 CO 0.15 0.49 -0.14 0.08 -0.65 0.00 0.00 174.74 174.67 2jtc s VAL 210 N -0.48 1.16 -0.84 0.89 1.01 0.18 -1.33 120.40 121.00 2jtc s VAL 210 Ca 0.23 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2jtc s VAL 210 Cb -0.16 -0.99 0.26 0.00 0.00 0.00 0.00 36.38 35.49 2jtc s VAL 210 CO 0.11 0.34 0.96 -3.20 0.00 0.00 0.00 175.10 173.31 2jtc n ASN 211 N 3.01 4.62 -3.97 3.32 2.85 0.94 -0.59 115.26 125.44 2jtc n ASN 211 Ca -0.17 -3.35 -0.27 0.00 -0.11 0.00 0.00 54.58 50.68 2jtc n ASN 211 Cb 0.54 -0.95 0.11 0.00 1.24 0.00 0.00 39.78 40.73 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 1.41 -1.61 0.20 1.20 7.02 -1.26 -2.92 117.44 121.48 2jtc n TRP 212 Ca 0.26 0.30 0.01 0.00 -1.02 0.00 0.00 57.50 57.06 2jtc n TRP 212 Cb 0.37 -1.44 0.16 0.00 -2.42 0.00 0.00 31.31 27.98 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 2.65 2.22 0.00 6.99 0.00 -1.22 -4.82 105.19 111.01 2jtc n GLY 213 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.20 -1.03 0.00 1.61 5.03 -1.26 -4.67 117.44 117.33 2jtc n TRP 214 Ca 0.13 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.66 2jtc n TRP 214 Cb 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.96 2jtc n TRP 214 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jtc n GLY 215 N 5.00 0.71 2.54 6.99 0.00 -1.26 -4.84 105.19 114.33 2jtc n GLY 215 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jtc n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 216 N 2.70 3.62 0.00 -0.02 0.00 -1.26 -4.91 105.19 105.32 2jtc n GLY 216 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.42 0.00 -0.07 1.61 3.14 -1.26 -4.49 118.33 116.84 2jtc n VAL 217 Ca 0.23 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.53 2jtc n VAL 217 Cb 0.80 -0.16 0.04 0.00 -1.06 0.00 0.00 33.84 33.46 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 4.37 -4.56 6.55 7.64 -1.26 -4.84 113.62 121.52 2jtc n SER 218 Ca 0.00 -2.58 -0.32 0.00 1.01 0.00 0.00 58.87 56.98 2jtc n SER 218 Cb 0.00 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.36 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 0.63 5.42 0.00 6.43 1.11 -1.26 -4.28 116.67 124.71 2jtc s ASP 219 Ca 0.16 -0.53 0.00 0.00 0.18 0.00 0.00 52.55 52.36 2jtc s ASP 219 Cb 0.13 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.57 2jtc s ASP 219 CO 0.02 -2.44 0.00 0.61 1.18 0.00 0.00 175.17 174.54 2jtc n GLY 220 N 6.51 -1.29 3.70 0.21 0.00 0.24 -4.72 105.19 109.84 2jtc n GLY 220 Ca 0.32 0.48 -0.42 0.00 0.00 0.00 0.00 46.02 46.40 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 2.24 0.73 1.61 0.40 -1.23 0.51 117.98 122.24 2jtc s PHE 221 Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 56.93 56.27 2jtc s PHE 221 Cb 0.00 -4.19 0.08 0.00 0.51 0.00 0.00 43.02 39.42 2jtc s PHE 221 CO 0.00 -4.87 1.04 -0.59 0.70 0.00 0.00 175.22 171.50 2jtc s PHE 222 N 2.50 2.65 0.18 0.36 -0.71 -0.87 -4.73 117.98 117.36 2jtc s PHE 222 Ca 0.81 0.35 0.07 0.00 -1.04 0.00 0.00 56.93 57.12 2jtc s PHE 222 Cb -0.47 -3.26 -0.04 0.00 -1.21 0.00 0.00 43.02 38.04 2jtc s PHE 222 CO 0.36 -1.55 0.01 1.03 -1.34 0.00 0.00 175.22 173.73 2jtc s ARG 223 N -5.29 2.44 -0.14 1.99 1.81 -1.26 -4.80 118.95 113.70 2jtc s ARG 223 Ca 0.62 -1.12 -0.06 0.00 -1.72 0.00 0.00 55.73 53.45 2jtc s ARG 223 Cb -0.10 -2.36 -0.07 0.00 -0.45 0.00 0.00 34.95 31.98 2jtc s ARG 223 CO 0.45 0.45 -0.18 1.47 -0.68 0.00 0.00 175.30 176.81 2jtc n LEU 224 N -0.22 1.25 -0.47 2.53 -0.00 -1.26 -4.71 117.00 114.11 2jtc n LEU 224 Ca -0.09 0.15 0.06 0.00 -0.00 0.00 0.00 56.01 56.12 2jtc n LEU 224 Cb 0.55 -0.43 0.06 0.00 -0.00 0.00 0.00 43.42 43.60 2jtc n LEU 224 CO 0.39 0.35 0.45 0.47 -0.00 0.00 0.00 177.39 179.06 2jtc n ASP 225 N -3.56 2.07 -3.88 1.45 8.00 -1.26 -4.77 116.55 114.60 2jtc n ASP 225 Ca -0.28 -1.54 -0.29 0.00 0.71 0.00 0.00 54.79 53.39 2jtc n ASP 225 Cb 0.71 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.65 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jtc s ALA 226 N -0.94 3.25 -0.46 2.24 0.00 -1.26 -4.95 121.76 119.64 2jtc s ALA 226 Ca 0.14 -3.35 -0.03 0.00 0.00 0.00 0.00 51.96 48.73 2jtc s ALA 226 Cb 0.10 -2.10 0.17 0.00 0.00 0.00 0.00 23.12 21.28 2jtc s ALA 226 CO 0.14 -2.05 2.41 -0.11 0.00 0.00 0.00 175.76 176.15 2jtc n LEU 227 N 2.75 6.67 -4.79 0.00 -0.00 -1.26 -4.62 117.00 115.75 2jtc n LEU 227 Ca 0.12 -3.90 -0.24 0.00 -0.00 0.00 0.00 56.01 51.99 2jtc n LEU 227 Cb 0.34 -1.14 -0.05 0.00 -0.00 0.00 0.00 43.42 42.57 2jtc n LEU 227 CO 0.29 1.55 -0.21 0.54 -0.00 0.00 0.00 177.39 179.56 2jtc s ASN 228 N -0.01 5.41 0.45 1.96 4.22 -1.26 -4.68 114.94 121.02 2jtc s ASN 228 Ca 0.50 -0.24 -0.21 0.00 -2.14 0.00 0.00 52.86 50.77 2jtc s ASN 228 Cb 0.35 -1.36 -0.10 0.00 1.28 0.00 0.00 41.25 41.43 2jtc s ASN 228 CO -0.15 0.02 0.99 -2.16 -2.04 0.00 0.00 177.10 173.76 2jtc s PRO 229 N -3.46 4.06 0.02 3.55 0.04 -1.26 -5.00 135.00 132.95 2jtc s PRO 229 Ca 0.32 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 2jtc s PRO 229 Cb -0.09 -2.19 -0.16 0.00 0.04 0.00 0.00 34.50 32.10 2jtc s PRO 229 CO 0.23 -0.19 1.23 0.77 0.04 0.00 0.00 177.00 179.09 2jtc h SER 230 N 1.85 -0.80 -3.15 6.66 0.02 -1.99 -3.42 113.55 112.71 2jtc h SER 230 Ca -0.49 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.87 2jtc h SER 230 Cb 1.20 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.87 2jtc h SER 230 CO 0.60 -0.44 -0.22 0.00 -1.14 0.00 0.00 176.83 175.63 2jtc s ALA 231 N -5.19 3.62 -0.40 3.77 0.00 -1.26 -4.96 121.76 117.34 2jtc s ALA 231 Ca -0.15 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.60 2jtc s ALA 231 Cb 0.02 -2.45 0.52 0.00 0.00 0.00 0.00 23.12 21.20 2jtc s ALA 231 CO 0.48 0.26 1.49 1.28 0.00 0.00 0.00 175.76 179.28 2jtc n LEU 232 N 2.73 4.90 -1.38 0.00 4.77 -1.26 -5.02 117.00 121.74 2jtc n LEU 232 Ca -0.12 -2.54 0.08 0.00 -0.03 0.00 0.00 56.01 53.40 2jtc n LEU 232 Cb 0.52 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 2jtc n LEU 232 CO 0.39 0.69 -0.51 0.61 -1.33 0.00 0.00 177.39 177.24 2jtc n GLY 233 N -0.07 -3.67 0.11 -0.72 0.00 -1.26 -3.86 105.19 95.73 2jtc n GLY 233 Ca 0.30 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.29 1.47 -0.08 2.61 -1.04 -1.26 -4.67 114.28 108.01 2jtc n THR 234 Ca -0.04 -0.73 -0.11 0.00 -2.04 0.00 0.00 64.05 61.13 2jtc n THR 234 Cb 0.53 -0.96 -0.05 0.00 -1.82 0.00 0.00 70.33 68.03 2jtc n THR 234 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jtc n GLY 235 N 1.96 -0.89 3.21 3.41 0.00 -1.26 -4.95 105.19 106.67 2jtc n GLY 235 Ca -0.37 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 2jtc n GLY 235 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 236 N -4.50 1.01 0.00 -0.02 0.00 -1.26 -5.04 107.32 97.50 2jtc s GLY 236 Ca -0.20 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2jtc s GLY 236 CO 0.35 -0.71 0.00 0.61 0.00 0.00 0.00 173.10 173.35 2jtc n GLY 237 N 2.61 1.20 0.40 0.20 0.00 -1.25 -4.31 105.19 104.04 2jtc n GLY 237 Ca -0.15 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -1.24 0.00 4.61 0.00 -1.95 -3.43 119.26 117.25 2jtc h ALA 238 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jtc h ALA 238 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jtc h ALA 238 CO 0.00 -1.18 0.00 0.41 0.00 0.00 0.00 179.25 178.48 2jtc n GLY 239 N -1.49 -0.52 3.37 0.00 0.00 -1.26 -5.00 105.19 100.29 2jtc n GLY 239 Ca -0.12 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 2jtc n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 240 N 0.00 2.15 -0.70 -0.02 0.00 -1.26 -4.63 107.32 102.86 2jtc s GLY 240 Ca 0.00 -2.76 0.05 0.00 0.00 0.00 0.00 44.72 42.00 2jtc s GLY 240 CO 0.00 1.53 0.84 1.97 0.00 0.00 0.00 173.10 177.44 2jtc n PHE 241 N 5.46 3.48 -1.56 1.90 1.16 -1.26 -4.98 117.46 121.65 2jtc n PHE 241 Ca 0.06 -3.96 -0.40 0.00 -1.87 0.00 0.00 57.45 51.28 2jtc n PHE 241 Cb 0.45 -0.65 -0.04 0.00 -1.61 0.00 0.00 39.48 37.63 2jtc n PHE 241 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 2jtc n ASN 242 N 0.92 3.10 0.12 5.98 4.05 -1.26 -3.82 115.26 124.36 2jtc n ASN 242 Ca 0.29 -2.74 -0.22 0.00 0.45 0.00 0.00 54.58 52.37 2jtc n ASN 242 Cb 0.40 -1.39 -0.14 0.00 1.23 0.00 0.00 39.78 39.87 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 13.71 0.55 -3.62 8.20 0.00 -1.67 -3.46 103.07 116.78 2jtc h GLY 243 Ca 0.41 -1.34 -0.24 0.00 0.00 0.00 0.00 47.33 46.16 2jtc h GLY 243 CO 1.76 1.17 -0.71 -0.19 0.00 0.00 0.00 176.54 178.58 2jtc s TYR 244 N -2.71 0.82 -0.17 5.60 1.51 -1.02 -5.01 117.35 116.36 2jtc s TYR 244 Ca -0.08 -0.77 -0.22 0.00 -1.01 0.00 0.00 57.07 54.99 2jtc s TYR 244 Cb 0.05 -0.48 0.06 0.00 -0.11 0.00 0.00 41.96 41.48 2jtc s TYR 244 CO 0.93 -0.13 0.58 1.14 -1.11 0.00 0.00 175.55 176.96 2jtc s GLN 245 N -3.06 0.76 0.07 -0.62 -2.07 -1.26 0.20 119.66 113.68 2jtc s GLN 245 Ca 0.04 0.61 -0.27 0.00 -1.82 0.00 0.00 55.36 53.93 2jtc s GLN 245 Cb 0.00 0.37 0.09 0.00 -1.09 0.00 0.00 33.01 32.37 2jtc s GLN 245 CO -0.03 -0.14 0.88 -1.54 -1.32 0.00 0.00 175.29 173.13 2jtc s SER 246 N -0.14 -0.33 0.17 12.60 1.04 -1.10 -1.20 113.70 124.74 2jtc s SER 246 Ca -0.03 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.23 2jtc s SER 246 Cb -0.03 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 2jtc s SER 246 CO 0.03 -0.76 0.15 0.00 0.98 0.00 0.00 173.24 173.64 2jtc s ALA 247 N -3.25 0.74 -0.18 5.32 0.00 0.60 -2.40 121.76 122.58 2jtc s ALA 247 Ca 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2jtc s ALA 247 Cb -0.01 1.05 0.01 0.00 0.00 0.00 0.00 23.12 24.17 2jtc s ALA 247 CO -0.06 -0.57 -0.16 0.08 0.00 0.00 0.00 175.76 175.05 2jtc s VAL 248 N -4.07 2.39 0.12 0.00 1.01 0.47 0.29 120.40 120.61 2jtc s VAL 248 Ca 0.28 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.53 2jtc s VAL 248 Cb 0.06 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2jtc s VAL 248 CO 0.05 0.51 -0.26 0.68 0.00 0.00 0.00 175.10 176.09 2jtc s VAL 249 N 1.26 2.18 0.00 2.92 -7.23 -0.56 -1.62 120.40 117.35 2jtc s VAL 249 Ca 0.04 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2jtc s VAL 249 Cb -0.14 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.87 2jtc s VAL 249 CO -0.09 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 2jtc n GLY 250 N 0.97 0.62 3.40 2.32 0.00 -1.26 -3.07 105.19 108.17 2jtc n GLY 250 Ca -0.18 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.49 4.94 -0.11 -0.61 1.01 -1.26 -3.20 121.20 119.47 2jtc s ILE 251 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 58.84 2jtc s ILE 251 Cb 0.00 -4.61 0.09 0.00 0.01 0.00 0.00 42.46 37.95 2jtc s ILE 251 CO 0.00 -1.27 0.80 -1.59 0.00 0.00 0.00 174.94 172.88 2jtc s LYS 252 N 2.19 0.87 0.00 2.79 -2.85 -1.26 -4.93 119.74 116.56 2jtc s LYS 252 Ca 0.22 0.30 0.27 0.00 -1.00 0.00 0.00 55.97 55.76 2jtc s LYS 252 Cb -0.13 0.41 1.62 0.00 -2.06 0.00 0.00 37.83 37.67 2jtc s LYS 252 CO -0.03 -0.25 1.97 -0.35 0.10 0.00 0.00 175.35 176.79