#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa s ASN 2 N 0.00 5.61 0.46 1.61 -0.87 -1.26 -4.98 114.94 115.50 1jsa s ASN 2 Ca 0.00 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 1jsa s ASN 2 Cb 0.00 -0.96 0.00 0.00 -0.02 0.00 0.00 41.25 40.27 1jsa s ASN 2 CO 0.00 -0.83 0.00 -1.20 -2.57 0.00 0.00 177.10 172.50 1jsa n SER 3 N -2.02 -6.78 -3.18 -1.22 7.64 -1.26 -4.38 113.62 102.42 1jsa n SER 3 Ca 0.06 1.03 -0.38 0.00 1.01 0.00 0.00 58.87 60.59 1jsa n SER 3 Cb 0.59 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.83 1jsa n SER 3 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1jsa n LYS 4 N -3.96 3.94 0.05 1.43 3.00 -1.26 -4.57 118.16 116.79 1jsa n LYS 4 Ca -0.06 -3.63 -0.07 0.00 -0.00 0.00 0.00 58.31 54.55 1jsa n LYS 4 Cb 0.56 -2.39 -0.12 0.00 0.00 0.00 0.00 35.03 33.08 1jsa n LYS 4 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1jsa h SER 5 N 3.73 0.00 -1.02 3.14 0.02 -1.97 -3.46 113.55 113.99 1jsa h SER 5 Ca 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1jsa h SER 5 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1jsa h SER 5 CO 1.25 0.97 0.00 0.61 -1.14 0.00 0.00 176.83 178.53 1jsa n GLY 6 N 1.38 -3.44 4.23 -3.77 0.00 -1.26 -3.98 105.19 98.35 1jsa n GLY 6 Ca -0.03 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 1jsa n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsa n ALA 7 N -3.00 -1.86 -1.00 4.61 0.00 -1.26 -4.92 120.51 113.09 1jsa n ALA 7 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1jsa n ALA 7 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1jsa n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1jsa n LEU 8 N -4.46 0.00 0.00 0.00 -0.00 -1.26 -4.57 117.00 106.72 1jsa n LEU 8 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 1jsa n LEU 8 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1jsa n LEU 8 CO 0.84 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 176.69 1jsa n SER 9 N 0.00 0.00 0.15 1.45 3.41 -1.26 -3.97 113.62 113.40 1jsa n SER 9 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1jsa n SER 9 Cb 0.00 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.42 1jsa n SER 9 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jsa h LYS 10 N 0.00 0.00 0.10 4.33 1.57 -1.98 0.35 116.57 120.93 1jsa h LYS 10 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1jsa h LYS 10 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1jsa h LYS 10 CO 0.00 0.00 -1.82 0.93 -0.57 0.00 0.00 179.45 177.99 1jsa h GLU 11 N 0.00 0.21 0.02 3.15 4.39 -1.89 -3.32 114.58 117.14 1jsa h GLU 11 Ca 0.00 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.25 1jsa h GLU 11 Cb 0.54 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1jsa h GLU 11 CO 0.00 1.03 -0.47 0.82 -1.16 0.00 0.00 179.01 179.23 1jsa h ILE 12 N 0.06 1.51 -1.04 3.13 2.04 -1.84 -3.27 117.51 118.09 1jsa h ILE 12 Ca -0.35 -2.33 0.30 0.00 1.00 0.00 0.00 64.86 63.48 1jsa h ILE 12 Cb 2.03 3.04 -0.05 0.00 -0.74 0.00 0.00 36.82 41.11 1jsa h ILE 12 CO 0.11 0.55 0.74 -0.07 0.00 0.00 0.00 178.15 179.48 1jsa h LEU 13 N -0.90 0.06 -0.98 1.44 3.38 -1.13 1.96 115.31 119.13 1jsa h LEU 13 Ca -0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1jsa h LEU 13 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1jsa h LEU 13 CO -0.04 0.01 0.33 -0.08 0.09 0.00 0.00 178.44 178.76 1jsa h GLU 14 N 0.05 0.00 -0.00 1.13 4.57 -1.65 2.92 114.58 121.60 1jsa h GLU 14 Ca 0.51 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.69 1jsa h GLU 14 Cb 1.93 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.52 1jsa h GLU 14 CO -0.04 0.00 -0.21 0.39 -1.18 0.00 0.00 179.01 177.97 1jsa n GLU 15 N -2.16 0.33 -0.22 1.92 -0.58 0.67 -4.32 120.64 116.27 1jsa n GLU 15 Ca -0.01 -0.13 0.19 0.00 -0.42 0.00 0.00 57.16 56.79 1jsa n GLU 15 Cb 0.35 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 30.04 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1jsa n LEU 16 N -1.22 0.10 -0.01 -4.62 -0.00 0.98 0.32 117.00 112.54 1jsa n LEU 16 Ca 0.10 0.64 -0.15 0.00 -0.00 0.00 0.00 56.01 56.61 1jsa n LEU 16 Cb 0.32 -0.32 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1jsa n LEU 16 CO 0.28 -0.70 0.51 -0.61 -0.00 0.00 0.00 177.39 176.87 1jsa h GLN 17 N 0.00 -0.54 -5.90 1.47 -0.00 -1.80 -3.36 115.11 104.98 1jsa h GLN 17 Ca 0.41 0.04 -0.63 0.00 -0.00 0.00 0.00 58.65 58.47 1jsa h GLN 17 Cb 1.33 0.12 -0.05 0.00 0.00 0.00 0.00 27.48 28.89 1jsa h GLN 17 CO -0.21 -0.36 -0.40 -0.48 0.00 0.00 0.00 178.83 177.38 1jsa s LEU 18 N -10.11 4.37 -0.54 -2.39 2.34 0.15 -4.63 118.68 107.88 1jsa s LEU 18 Ca -0.15 0.53 -0.20 0.00 0.06 0.00 0.00 54.13 54.38 1jsa s LEU 18 Cb 0.07 -2.68 0.03 0.00 -0.56 0.00 0.00 46.19 43.05 1jsa s LEU 18 CO 0.59 0.25 0.64 0.59 -1.06 0.00 0.00 176.35 177.36 1jsa n ASN 19 N 1.07 -6.62 0.30 1.48 3.02 -1.26 -4.75 115.26 108.50 1jsa n ASN 19 Ca -0.11 -0.01 0.18 0.00 -0.03 0.00 0.00 54.58 54.61 1jsa n ASN 19 Cb 0.53 -3.51 0.92 0.00 -0.61 0.00 0.00 39.78 37.11 1jsa n ASN 19 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1jsa h THR 20 N 1.50 0.11 -2.15 3.41 2.02 -1.82 -3.44 112.91 112.54 1jsa h THR 20 Ca -0.30 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.93 1jsa h THR 20 Cb 1.21 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1jsa h THR 20 CO 0.25 0.00 -0.06 1.17 0.37 0.00 0.00 175.52 177.24 1jsa n LYS 21 N -3.17 -0.36 -0.45 6.66 4.81 -1.26 -4.79 118.16 119.60 1jsa n LYS 21 Ca -0.01 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1jsa n LYS 21 Cb 0.31 -0.44 0.00 0.00 0.02 0.00 0.00 35.03 34.91 1jsa n LYS 21 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jsa n PHE 22 N -2.27 -3.53 -1.48 5.64 7.35 -1.26 -4.85 117.46 117.06 1jsa n PHE 22 Ca 0.00 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.25 1jsa n PHE 22 Cb 0.08 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.83 1jsa n PHE 22 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1jsa n THR 23 N -1.54 0.06 0.31 -2.13 -2.24 -1.26 -4.62 114.28 102.86 1jsa n THR 23 Ca 0.00 -0.35 0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1jsa n THR 23 Cb 0.00 -1.69 0.04 0.00 -2.10 0.00 0.00 70.33 66.59 1jsa n THR 23 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1jsa h GLU 24 N 14.28 0.00 0.00 -0.78 9.09 -1.88 1.40 114.58 136.68 1jsa h GLU 24 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1jsa h GLU 24 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1jsa h GLU 24 CO 1.15 0.00 0.00 0.39 0.05 0.00 0.00 179.01 180.60 1jsa n GLU 25 N -2.42 0.06 -0.00 1.06 1.02 -1.26 -1.47 120.64 117.62 1jsa n GLU 25 Ca -0.00 0.52 -0.17 0.00 -0.02 0.00 0.00 57.16 57.49 1jsa n GLU 25 Cb 0.94 -1.67 -0.12 0.00 -0.02 0.00 0.00 31.44 30.56 1jsa n GLU 25 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1jsa h GLU 26 N 0.00 0.26 0.00 3.49 4.81 0.16 -3.15 114.58 120.14 1jsa h GLU 26 Ca 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1jsa h GLU 26 Cb 0.04 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1jsa h GLU 26 CO 0.00 1.07 0.16 1.28 -0.73 0.00 0.00 179.01 180.79 1jsa n LEU 27 N -4.33 0.27 0.04 1.64 4.32 -0.54 -0.73 117.00 117.67 1jsa n LEU 27 Ca -0.11 0.55 -0.18 0.00 -0.02 0.00 0.00 56.01 56.25 1jsa n LEU 27 Cb 0.64 -0.54 -0.08 0.00 -1.62 0.00 0.00 43.42 41.81 1jsa n LEU 27 CO 0.43 -0.64 0.14 -1.28 -1.22 0.00 0.00 177.39 174.82 1jsa h SER 28 N 0.00 0.82 0.34 -1.43 0.87 -1.61 -2.98 113.55 109.57 1jsa h SER 28 Ca 0.00 -0.64 -0.33 0.00 -1.23 0.00 0.00 61.79 59.60 1jsa h SER 28 Cb 0.31 -0.25 0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1jsa h SER 28 CO 0.00 1.44 -1.47 0.77 -0.53 0.00 0.00 176.83 177.04 1jsa h SER 29 N 0.38 0.71 -0.66 6.23 4.64 -1.08 -3.26 113.55 120.52 1jsa h SER 29 Ca -0.10 -0.80 0.10 0.00 -0.47 0.00 0.00 61.79 60.52 1jsa h SER 29 Cb 1.62 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 63.43 1jsa h SER 29 CO 0.19 1.63 0.44 -0.25 -0.87 0.00 0.00 176.83 177.97 1jsa h TRP 30 N 0.12 0.51 -0.27 4.77 2.91 -1.52 0.13 115.95 122.59 1jsa h TRP 30 Ca -0.24 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.75 1jsa h TRP 30 Cb 2.12 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 30.59 1jsa h TRP 30 CO 0.11 0.23 0.02 -0.92 -1.03 0.00 0.00 178.44 176.86 1jsa h TYR 31 N 0.47 0.50 -0.01 2.65 3.20 -1.56 -2.55 116.97 119.67 1jsa h TYR 31 Ca 0.31 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1jsa h TYR 31 Cb 0.57 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1jsa h TYR 31 CO -0.00 0.59 -0.01 0.37 -1.64 0.00 0.00 178.16 177.47 1jsa h GLN 32 N 0.26 0.03 -1.02 1.82 4.15 -1.30 -2.11 115.11 116.93 1jsa h GLN 32 Ca 0.08 -0.01 0.30 0.00 0.77 0.00 0.00 58.65 59.78 1jsa h GLN 32 Cb 0.38 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 1jsa h GLN 32 CO 0.01 0.50 0.77 0.77 -1.93 0.00 0.00 178.83 178.95 1jsa h SER 33 N -0.45 0.00 0.34 -0.69 0.02 -0.81 0.68 113.55 112.64 1jsa h SER 33 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1jsa h SER 33 Cb 0.50 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.06 1jsa h SER 33 CO 0.00 0.00 -1.36 0.15 -1.14 0.00 0.00 176.83 174.48 1jsa h PHE 34 N 0.00 0.85 0.00 3.45 3.57 -1.19 -2.82 116.94 120.80 1jsa h PHE 34 Ca 0.48 -0.60 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1jsa h PHE 34 Cb 2.03 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.73 1jsa h PHE 34 CO 0.00 1.46 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.41 1jsa h LEU 35 N 0.15 0.00 0.04 0.59 3.38 0.98 0.25 115.31 120.71 1jsa h LEU 35 Ca -0.21 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.52 1jsa h LEU 35 Cb 2.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 1jsa h LEU 35 CO 0.25 0.05 -1.20 0.11 0.09 0.00 0.00 178.44 177.74 1jsa h LYS 36 N 0.00 0.09 0.02 1.13 1.57 -1.08 -2.90 116.57 115.42 1jsa h LYS 36 Ca -0.00 -0.16 -0.24 0.00 -1.87 0.00 0.00 60.65 58.37 1jsa h LYS 36 Cb 0.17 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1jsa h LYS 36 CO 0.01 1.01 -1.24 1.49 -0.57 0.00 0.00 179.45 180.15 1jsa h GLU 37 N 0.03 0.05 -1.95 3.15 4.22 -0.95 -3.42 114.58 115.71 1jsa h GLU 37 Ca -0.10 -0.09 -0.40 0.00 0.08 0.00 0.00 59.36 58.85 1jsa h GLU 37 Cb 1.88 0.03 -0.31 0.00 0.50 0.00 0.00 28.75 30.85 1jsa h GLU 37 CO 0.15 0.92 -0.73 0.00 -2.18 0.00 0.00 179.01 177.16 1jsa n PRO 39 N 3.77 0.17 0.00 0.00 -0.02 -1.09 -4.13 135.00 133.70 1jsa n PRO 39 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1jsa n PRO 39 Cb 0.47 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1jsa n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jsa n SER 40 N 0.96 0.00 0.00 2.55 2.88 -1.26 -5.08 113.62 113.67 1jsa n SER 40 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jsa n SER 40 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jsa n GLY 41 N 3.60 0.66 3.69 0.46 0.00 -1.26 -4.91 105.19 107.43 1jsa n GLY 41 Ca 0.00 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1jsa n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsa s ARG 42 N 0.00 4.29 -0.05 1.61 3.00 -1.26 -4.54 118.95 122.00 1jsa s ARG 42 Ca 0.00 0.59 -0.12 0.00 0.00 0.00 0.00 55.73 56.20 1jsa s ARG 42 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 34.95 31.39 1jsa s ARG 42 CO 0.00 -0.06 0.31 0.42 0.00 0.00 0.00 175.30 175.97 1jsa s ILE 43 N 1.31 5.21 0.68 1.52 1.01 -0.97 -4.92 121.20 125.03 1jsa s ILE 43 Ca 0.29 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.57 1jsa s ILE 43 Cb -0.16 -3.60 0.13 0.00 0.01 0.00 0.00 42.46 38.84 1jsa s ILE 43 CO 0.12 0.59 0.93 0.41 0.00 0.00 0.00 174.94 176.99 1jsa n THR 44 N 1.94 0.00 -0.05 2.92 -1.04 -1.26 -1.91 114.28 114.88 1jsa n THR 44 Ca -0.16 -1.64 -0.06 0.00 -2.04 0.00 0.00 64.05 60.15 1jsa n THR 44 Cb 0.53 -0.80 -0.06 0.00 -1.82 0.00 0.00 70.33 68.19 1jsa n THR 44 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1jsa h ARG 45 N 0.00 -0.01 0.03 -2.82 2.43 -1.98 -3.16 114.38 108.86 1jsa h ARG 45 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1jsa h ARG 45 Cb 1.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1jsa h ARG 45 CO 0.36 0.41 -0.08 0.37 -1.51 0.00 0.00 179.97 179.52 1jsa h GLN 46 N -1.00 -0.12 -0.96 0.20 4.15 -1.96 -0.84 115.11 114.58 1jsa h GLN 46 Ca -0.00 0.01 0.28 0.00 0.77 0.00 0.00 58.65 59.71 1jsa h GLN 46 Cb 0.43 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 1jsa h GLN 46 CO 0.00 -0.08 0.91 1.49 -1.93 0.00 0.00 178.83 179.22 1jsa h GLU 47 N -0.13 0.00 -0.14 1.69 4.81 -2.00 0.36 114.58 119.18 1jsa h GLU 47 Ca -0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1jsa h GLU 47 Cb 0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1jsa h GLU 47 CO -0.03 0.00 0.42 0.35 -0.73 0.00 0.00 179.01 179.01 1jsa h PHE 48 N 0.00 0.00 0.00 0.92 3.04 -1.11 0.53 116.94 120.33 1jsa h PHE 48 Ca 0.46 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.39 1jsa h PHE 48 Cb 2.26 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.77 1jsa h PHE 48 CO 0.00 0.00 -0.07 -0.56 -2.02 0.00 0.00 178.31 175.66 1jsa h GLN 49 N 0.00 0.00 0.00 1.11 -0.00 -0.36 -3.10 115.11 112.76 1jsa h GLN 49 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1jsa h GLN 49 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.38 1jsa h GLN 49 CO -0.00 0.07 0.00 2.41 -0.00 0.00 0.00 178.83 181.31 1jsa n THR 50 N -3.13 0.93 0.00 1.86 -1.04 0.19 -2.95 114.28 110.13 1jsa n THR 50 Ca 0.03 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1jsa n THR 50 Cb 0.50 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1jsa n THR 50 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1jsa n ILE 51 N -1.75 0.00 -0.31 12.58 5.41 -1.17 -4.36 119.36 129.76 1jsa n ILE 51 Ca 0.03 0.48 0.00 0.00 1.00 0.00 0.00 62.75 64.27 1jsa n ILE 51 Cb 0.19 -1.47 0.06 0.00 -0.71 0.00 0.00 39.64 37.72 1jsa n ILE 51 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1jsa h TYR 52 N 0.00 -0.78 0.00 1.39 0.05 -1.68 0.95 116.97 116.90 1jsa h TYR 52 Ca 0.00 0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1jsa h TYR 52 Cb 0.00 0.47 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1jsa h TYR 52 CO 0.00 -0.39 0.48 0.45 -1.05 0.00 0.00 178.16 177.65 1jsa n SER 53 N -5.50 0.11 0.12 3.88 2.88 -1.15 0.72 113.62 114.66 1jsa n SER 53 Ca 0.10 0.31 -0.20 0.00 -1.33 0.00 0.00 58.87 57.75 1jsa n SER 53 Cb 0.41 -0.20 -0.15 0.00 -0.75 0.00 0.00 64.21 63.52 1jsa n SER 53 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jsa h LYS 54 N 0.00 0.38 -0.63 -1.46 1.63 0.75 -3.29 116.57 113.95 1jsa h LYS 54 Ca 0.00 -0.66 0.00 0.00 -0.85 0.00 0.00 60.65 59.14 1jsa h LYS 54 Cb 0.96 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1jsa h LYS 54 CO 0.00 1.30 0.00 1.19 -3.45 0.00 0.00 179.45 178.49 1jsa n PHE 55 N -3.60 1.75 -2.78 1.91 3.01 0.22 -4.53 117.46 113.44 1jsa n PHE 55 Ca -0.14 -0.63 -0.10 0.00 1.01 0.00 0.00 57.45 57.59 1jsa n PHE 55 Cb 1.06 -0.39 0.06 0.00 -0.01 0.00 0.00 39.48 40.20 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1jsa n PHE 56 N 0.77 -2.79 0.00 1.38 3.72 -1.07 -4.97 117.46 114.50 1jsa n PHE 56 Ca 0.25 -2.13 -0.06 0.00 -0.05 0.00 0.00 57.45 55.46 1jsa n PHE 56 Cb 1.03 1.41 0.13 0.00 -0.94 0.00 0.00 39.48 41.11 1jsa n PHE 56 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1jsa h PRO 57 N 3.45 0.53 0.00 -1.08 0.13 -1.80 -3.37 132.00 129.87 1jsa h PRO 57 Ca -0.10 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1jsa h PRO 57 Cb 1.05 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1jsa h PRO 57 CO 0.25 0.82 0.00 -1.91 -0.23 0.00 0.00 178.00 176.92 1jsa n GLU 58 N -4.05 0.00 0.00 0.86 2.13 -1.26 -4.74 120.64 113.57 1jsa n GLU 58 Ca -0.01 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1jsa n GLU 58 Cb 0.48 -0.77 0.00 0.00 0.27 0.00 0.00 31.44 31.42 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jsa n ALA 59 N -1.78 0.00 -3.00 4.31 0.00 -1.26 -5.03 120.51 113.76 1jsa n ALA 59 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1jsa n ALA 59 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1jsa n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jsa n ASP 60 N 0.00 -1.25 -0.98 0.00 2.03 -1.12 -4.96 116.55 110.27 1jsa n ASP 60 Ca 0.00 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1jsa n ASP 60 Cb 0.00 0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1jsa n PRO 61 N 1.59 0.21 -0.26 -0.67 -0.05 -1.26 -3.83 135.00 130.73 1jsa n PRO 61 Ca 0.16 0.00 -0.07 0.00 -0.05 0.00 0.00 63.50 63.55 1jsa n PRO 61 Cb 0.57 -1.38 0.06 0.00 -0.05 0.00 0.00 33.50 32.70 1jsa n PRO 61 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 175.50 175.23 1jsa h LYS 62 N 1.54 1.15 0.00 0.54 3.11 -1.93 0.13 116.57 121.12 1jsa h LYS 62 Ca 0.00 -0.25 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1jsa h LYS 62 Cb 0.21 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1jsa h LYS 62 CO 0.00 0.99 -0.14 0.00 -2.81 0.00 0.00 179.45 177.48 1jsa h ALA 63 N 1.13 0.92 0.00 5.00 0.00 -1.89 -3.24 119.26 121.18 1jsa h ALA 63 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1jsa h ALA 63 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jsa h ALA 63 CO -0.01 0.00 -1.12 0.98 0.00 0.00 0.00 179.25 179.11 1jsa n TYR 64 N -2.60 0.97 0.22 0.00 9.36 -0.83 -3.71 117.16 120.57 1jsa n TYR 64 Ca 0.04 0.29 0.12 0.00 3.32 0.00 0.00 57.90 61.67 1jsa n TYR 64 Cb 0.48 -0.99 0.23 0.00 -0.63 0.00 0.00 39.34 38.42 1jsa n TYR 64 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jsa h ALA 65 N 1.85 0.97 0.00 2.98 0.00 -0.79 -3.15 119.26 121.12 1jsa h ALA 65 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jsa h ALA 65 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1jsa h ALA 65 CO 0.01 0.07 -0.89 1.04 0.00 0.00 0.00 179.25 179.48 1jsa n GLN 66 N -3.12 0.45 0.11 0.00 6.02 -1.24 -3.78 117.38 115.82 1jsa n GLN 66 Ca 0.03 0.09 0.12 0.00 -0.01 0.00 0.00 57.00 57.23 1jsa n GLN 66 Cb 0.52 -1.74 0.27 0.00 1.02 0.00 0.00 30.24 30.31 1jsa n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jsa h HIS 67 N 0.00 0.00 0.00 1.08 3.86 -1.63 -3.21 115.15 115.25 1jsa h HIS 67 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jsa h HIS 67 Cb 0.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1jsa h HIS 67 CO 0.00 0.00 0.00 0.28 0.86 0.00 0.00 177.93 179.07 1jsa n VAL 68 N -2.37 0.14 0.00 2.45 0.31 -1.22 -3.94 118.33 113.69 1jsa n VAL 68 Ca 0.04 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1jsa n VAL 68 Cb 0.46 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1jsa n VAL 68 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1jsa n PHE 69 N -1.47 0.00 0.33 3.52 7.35 -1.21 -3.15 117.46 122.83 1jsa n PHE 69 Ca 0.08 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.81 1jsa n PHE 69 Cb 0.30 0.00 0.24 0.00 0.35 0.00 0.00 39.48 40.37 1jsa n PHE 69 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1jsa h ARG 70 N 0.00 0.00 -0.78 -4.13 2.43 -1.81 0.68 114.38 110.77 1jsa h ARG 70 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1jsa h ARG 70 Cb 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1jsa h ARG 70 CO 0.00 0.00 0.51 0.66 -1.51 0.00 0.00 179.97 179.63 1jsa h SER 71 N 0.00 0.64 0.00 -3.80 4.64 -1.67 -3.33 113.55 110.03 1jsa h SER 71 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1jsa h SER 71 Cb 1.59 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1jsa h SER 71 CO 0.00 0.38 -0.01 0.33 -0.87 0.00 0.00 176.83 176.66 1jsa n PHE 72 N -4.50 0.00 0.01 4.77 7.35 0.20 -4.47 117.46 120.82 1jsa n PHE 72 Ca 0.13 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.75 1jsa n PHE 72 Cb 0.33 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.27 1jsa n PHE 72 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jsa n ASP 73 N -0.14 3.31 -1.57 -2.13 2.03 0.84 -3.98 116.55 114.91 1jsa n ASP 73 Ca 0.00 -2.67 0.05 0.00 0.52 0.00 0.00 54.79 52.69 1jsa n ASP 73 Cb 0.00 -0.64 0.34 0.00 -0.72 0.00 0.00 41.12 40.10 1jsa n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jsa n ALA 74 N -0.12 3.75 -1.72 -1.67 0.00 -1.25 -4.42 120.51 115.07 1jsa n ALA 74 Ca 0.24 -2.17 -0.32 0.00 0.00 0.00 0.00 53.44 51.19 1jsa n ALA 74 Cb 0.96 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 1jsa n ALA 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jsa n ASN 75 N 0.07 6.99 -3.49 0.00 6.94 -1.26 -4.84 115.26 119.67 1jsa n ASN 75 Ca 0.28 -3.32 -0.29 0.00 -0.02 0.00 0.00 54.58 51.22 1jsa n ASN 75 Cb 1.13 -1.23 0.02 0.00 -2.36 0.00 0.00 39.78 37.35 1jsa n ASN 75 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1jsa n SER 76 N 0.75 -5.72 0.19 0.53 2.88 -1.26 -4.89 113.62 106.11 1jsa n SER 76 Ca 0.52 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1jsa n SER 76 Cb 0.43 -2.28 0.00 0.00 -0.75 0.00 0.00 64.21 61.60 1jsa n SER 76 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1jsa n ASP 77 N -0.99 -2.30 0.00 -3.46 -0.08 -1.26 -5.05 116.55 103.41 1jsa n ASP 77 Ca -0.13 0.71 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 1jsa n ASP 77 Cb 0.65 2.25 0.00 0.00 2.34 0.00 0.00 41.12 46.36 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jsa n GLY 78 N -0.04 1.96 3.16 0.27 0.00 -1.26 -5.05 105.19 104.22 1jsa n GLY 78 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jsa n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 79 N -2.07 0.61 -0.35 2.61 -4.23 -1.26 -4.95 115.64 106.01 1jsa s THR 79 Ca 0.00 -1.92 -0.21 0.00 -1.18 0.00 0.00 61.69 58.38 1jsa s THR 79 Cb 0.00 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.15 1jsa s THR 79 CO 0.00 -0.86 0.66 -0.76 -0.54 0.00 0.00 174.62 173.12 1jsa s LEU 80 N -3.03 4.21 0.43 4.79 1.43 -0.80 -4.89 118.68 120.81 1jsa s LEU 80 Ca 0.12 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1jsa s LEU 80 Cb 0.06 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1jsa s LEU 80 CO -0.05 -0.59 0.68 -1.81 0.23 0.00 0.00 176.35 174.81 1jsa s ASP 81 N 1.76 6.23 0.13 2.29 1.11 -1.26 -2.29 116.67 124.65 1jsa s ASP 81 Ca 0.26 0.69 -0.30 0.00 0.18 0.00 0.00 52.55 53.37 1jsa s ASP 81 Cb -0.14 -2.10 -0.07 0.00 1.07 0.00 0.00 42.92 41.68 1jsa s ASP 81 CO 0.14 -0.48 1.57 0.15 1.18 0.00 0.00 175.17 177.73 1jsa h PHE 82 N 0.44 -1.35 -1.10 4.23 3.57 -1.97 0.66 116.94 121.42 1jsa h PHE 82 Ca -0.48 0.06 0.31 0.00 3.53 0.00 0.00 57.97 61.38 1jsa h PHE 82 Cb 1.21 0.61 -0.07 0.00 2.79 0.00 0.00 35.95 40.50 1jsa h PHE 82 CO 0.54 -0.49 0.75 -0.22 -2.23 0.00 0.00 178.31 176.66 1jsa h LYS 83 N -0.49 0.17 0.00 1.11 3.64 -1.96 1.10 116.57 120.14 1jsa h LYS 83 Ca 0.07 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 1jsa h LYS 83 Cb 0.64 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1jsa h LYS 83 CO -0.44 0.11 -0.78 0.93 -2.27 0.00 0.00 179.45 177.00 1jsa h GLU 84 N 0.18 0.00 0.05 1.90 5.08 -0.82 -3.33 114.58 117.64 1jsa h GLU 84 Ca 0.57 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1jsa h GLU 84 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1jsa h GLU 84 CO -0.15 0.53 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.45 1jsa h TYR 85 N 0.00 -0.06 -0.09 4.33 3.20 0.66 -2.83 116.97 122.19 1jsa h TYR 85 Ca -0.04 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.85 1jsa h TYR 85 Cb 1.49 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.73 1jsa h TYR 85 CO 0.00 0.30 -0.40 0.28 -1.64 0.00 0.00 178.16 176.70 1jsa h VAL 86 N -0.43 0.00 -0.82 1.81 2.07 -1.37 0.37 116.25 117.88 1jsa h VAL 86 Ca -0.01 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.70 1jsa h VAL 86 Cb 0.39 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.01 1jsa h VAL 86 CO 0.01 0.00 -0.06 0.40 0.02 0.00 0.00 177.57 177.94 1jsa h ILE 87 N -0.44 0.23 0.00 4.57 2.04 -1.66 0.67 117.51 122.92 1jsa h ILE 87 Ca 0.02 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jsa h ILE 87 Cb 0.51 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1jsa h ILE 87 CO -0.32 0.01 0.00 0.00 0.00 0.00 0.00 178.15 177.84 1jsa n ALA 88 N -3.12 -0.35 0.22 1.87 0.00 -0.50 0.11 120.51 118.74 1jsa n ALA 88 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1jsa n ALA 88 Cb 0.50 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.37 1jsa n ALA 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jsa h LEU 89 N 0.00 0.00 0.00 0.00 7.12 0.02 -0.90 115.31 121.55 1jsa h LEU 89 Ca 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 57.88 57.87 1jsa h LEU 89 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 1jsa h LEU 89 CO 0.00 0.00 -1.06 1.57 -0.13 0.00 0.00 178.44 178.82 1jsa n HIS 90 N -2.87 0.81 0.08 1.25 -0.00 0.23 -4.09 115.22 110.62 1jsa n HIS 90 Ca 0.04 0.35 0.17 0.00 0.46 0.00 0.00 57.72 58.74 1jsa n HIS 90 Cb 0.84 -0.91 0.43 0.00 -0.12 0.00 0.00 29.99 30.23 1jsa n HIS 90 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 1jsa h MET 91 N -1.00 0.00 -0.25 1.57 1.85 0.21 0.68 114.93 117.99 1jsa h MET 91 Ca -0.21 0.00 0.07 0.00 -0.61 0.00 0.00 59.70 58.95 1jsa h MET 91 Cb 0.98 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.00 1jsa h MET 91 CO -0.13 0.00 0.33 1.15 -0.40 0.00 0.00 176.91 177.86 1jsa h THR 92 N 0.00 0.34 0.00 -0.77 2.02 -1.61 -3.42 112.91 109.47 1jsa h THR 92 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1jsa h THR 92 Cb 1.99 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1jsa h THR 92 CO -0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 1jsa n SER 93 N -3.60 0.00 -2.47 4.18 3.41 0.24 -4.87 113.62 110.52 1jsa n SER 93 Ca 0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1jsa n SER 93 Cb 0.46 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsa n ALA 94 N 0.00 -0.20 -1.11 7.33 0.00 -1.26 -4.89 120.51 120.37 1jsa n ALA 94 Ca 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 53.44 52.18 1jsa n ALA 94 Cb 0.00 0.97 0.07 0.00 0.00 0.00 0.00 19.45 20.49 1jsa n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jsa n GLY 95 N -0.42 -2.08 3.54 0.00 0.00 -1.26 -4.87 105.19 100.09 1jsa n GLY 95 Ca 0.01 -1.54 -0.54 0.00 0.00 0.00 0.00 46.02 43.95 1jsa n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jsa n LYS 96 N -2.29 0.65 -3.91 1.61 4.81 -1.26 -4.95 118.16 112.81 1jsa n LYS 96 Ca 0.05 0.23 -0.09 0.00 -0.87 0.00 0.00 58.31 57.63 1jsa n LYS 96 Cb 0.18 -1.74 -0.09 0.00 0.02 0.00 0.00 35.03 33.40 1jsa n LYS 96 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1jsa s THR 97 N 0.04 0.13 0.00 3.15 -4.23 -1.26 -4.93 115.64 108.55 1jsa s THR 97 Ca 0.83 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1jsa s THR 97 Cb -1.04 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1jsa s THR 97 CO 0.52 -0.60 0.00 -0.46 -0.54 0.00 0.00 174.62 173.54 1jsa n ASN 98 N 0.66 0.00 -4.79 3.99 6.94 -1.26 -4.91 115.26 115.89 1jsa n ASN 98 Ca -0.18 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.03 1jsa n ASN 98 Cb 0.59 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.99 1jsa n ASN 98 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1jsa s GLN 99 N 0.00 3.58 0.00 -3.83 1.11 -1.26 -4.87 119.66 114.40 1jsa s GLN 99 Ca 0.00 1.46 0.00 0.00 0.01 0.00 0.00 55.36 56.83 1jsa s GLN 99 Cb 0.00 -2.05 0.00 0.00 -1.01 0.00 0.00 33.01 29.95 1jsa s GLN 99 CO 0.00 -0.63 0.00 1.17 0.01 0.00 0.00 175.29 175.84 1jsa n LYS 100 N -1.16 0.00 0.19 2.91 4.81 -1.26 -4.92 118.16 118.73 1jsa n LYS 100 Ca 0.10 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.60 1jsa n LYS 100 Cb 0.52 0.00 0.35 0.00 0.02 0.00 0.00 35.03 35.92 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1jsa h LEU 101 N 0.00 0.00 -1.05 3.14 3.38 -2.00 -3.00 115.31 115.78 1jsa h LEU 101 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jsa h LEU 101 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1jsa h LEU 101 CO 0.00 0.37 0.58 -0.08 0.09 0.00 0.00 178.44 179.40 1jsa h GLU 102 N 0.00 1.22 0.00 1.13 4.57 -1.97 -0.88 114.58 118.65 1jsa h GLU 102 Ca -0.00 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 1jsa h GLU 102 Cb 0.85 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1jsa h GLU 102 CO 0.05 0.83 -0.25 -1.49 -1.18 0.00 0.00 179.01 176.97 1jsa h TRP 103 N 1.25 0.00 -0.20 0.92 6.55 -1.92 -3.09 115.95 119.46 1jsa h TRP 103 Ca 0.33 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 60.04 1jsa h TRP 103 Cb -0.10 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.19 1jsa h TRP 103 CO 0.00 0.25 -0.45 0.00 -1.05 0.00 0.00 178.44 177.19 1jsa h ALA 104 N 1.75 0.85 0.00 1.49 0.00 -1.11 -2.69 119.26 119.55 1jsa h ALA 104 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1jsa h ALA 104 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1jsa h ALA 104 CO 0.03 0.65 0.15 0.34 0.00 0.00 0.00 179.25 180.43 1jsa n PHE 105 N -4.00 0.00 -0.00 0.00 7.35 -0.88 -0.69 117.46 119.24 1jsa n PHE 105 Ca -0.02 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.45 1jsa n PHE 105 Cb 0.54 -0.33 -0.14 0.00 0.35 0.00 0.00 39.48 39.91 1jsa n PHE 105 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1jsa h SER 106 N 0.00 0.37 0.59 -2.13 4.64 -1.67 -3.17 113.55 112.18 1jsa h SER 106 Ca 0.00 -0.85 -0.02 0.00 -0.47 0.00 0.00 61.79 60.44 1jsa h SER 106 Cb 0.31 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1jsa h SER 106 CO 0.00 1.71 -0.42 0.25 -0.87 0.00 0.00 176.83 177.50 1jsa h LEU 107 N -0.22 -1.10 -1.51 5.97 7.12 -1.04 -2.36 115.31 122.17 1jsa h LEU 107 Ca -0.36 0.07 0.10 0.00 0.13 0.00 0.00 57.88 57.82 1jsa h LEU 107 Cb 1.84 0.34 -0.05 0.00 -0.53 0.00 0.00 40.66 42.26 1jsa h LEU 107 CO 0.04 -0.61 0.46 1.88 -0.13 0.00 0.00 178.44 180.08 1jsa h TYR 108 N -0.96 0.59 -0.32 1.25 0.05 -1.75 -2.90 116.97 112.92 1jsa h TYR 108 Ca -0.08 0.02 -0.70 0.00 0.05 0.00 0.00 58.73 58.02 1jsa h TYR 108 Cb 0.79 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.32 1jsa h TYR 108 CO -0.13 0.27 3.32 -3.47 -1.05 0.00 0.00 178.16 177.10 1jsa n ASP 109 N -4.49 7.42 0.00 3.88 -0.08 -0.89 -4.57 116.55 117.83 1jsa n ASP 109 Ca 0.12 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.63 1jsa n ASP 109 Cb 0.37 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.30 1jsa n ASP 109 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1jsa n VAL 110 N 3.50 0.00 -0.17 5.18 0.31 -1.10 -0.66 118.33 125.40 1jsa n VAL 110 Ca 0.68 1.35 -0.01 0.00 -0.01 0.00 0.00 64.34 66.34 1jsa n VAL 110 Cb 0.27 -1.80 0.07 0.00 -0.91 0.00 0.00 33.84 31.47 1jsa n VAL 110 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1jsa h ASP 111 N 0.00 -0.21 -1.99 4.52 2.03 -1.91 -3.47 116.42 115.40 1jsa h ASP 111 Ca 0.00 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1jsa h ASP 111 Cb 0.00 0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1jsa h ASP 111 CO 0.00 -0.07 0.00 0.61 -1.03 0.00 0.00 179.24 178.75 1jsa n GLY 112 N -1.33 0.78 0.51 7.15 0.00 0.17 -5.00 105.19 107.46 1jsa n GLY 112 Ca 0.07 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1jsa n GLY 112 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jsa n ASN 113 N -0.94 3.08 0.00 1.61 0.23 -1.26 -4.93 115.26 113.04 1jsa n ASN 113 Ca 0.00 -2.81 0.00 0.00 -0.53 0.00 0.00 54.58 51.24 1jsa n ASN 113 Cb 0.33 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jsa n GLY 114 N -0.67 0.66 3.25 4.83 0.00 -1.26 -4.99 105.19 107.01 1jsa n GLY 114 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1jsa n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 115 N -2.73 -0.02 -0.06 2.61 -4.23 -1.26 -4.30 115.64 105.64 1jsa s THR 115 Ca 0.00 0.08 -0.20 0.00 -1.18 0.00 0.00 61.69 60.39 1jsa s THR 115 Cb 0.00 -0.57 -0.05 0.00 1.34 0.00 0.00 72.50 73.23 1jsa s THR 115 CO 0.00 0.03 0.56 -0.63 -0.54 0.00 0.00 174.62 174.04 1jsa s ILE 116 N 1.09 5.06 0.55 2.99 1.01 0.23 -4.90 121.20 127.23 1jsa s ILE 116 Ca -0.07 1.14 0.03 0.00 0.00 0.00 0.00 60.65 61.75 1jsa s ILE 116 Cb -0.07 -3.89 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1jsa s ILE 116 CO -0.09 0.35 0.23 -0.44 0.00 0.00 0.00 174.94 175.00 1jsa s SER 117 N 0.30 4.41 0.01 3.58 0.01 -1.26 -2.59 113.70 118.17 1jsa s SER 117 Ca 0.30 -1.48 -0.26 0.00 1.31 0.00 0.00 55.95 55.82 1jsa s SER 117 Cb -0.17 0.61 -0.16 0.00 0.21 0.00 0.00 66.02 66.51 1jsa s SER 117 CO 0.14 -1.06 1.20 0.50 0.41 0.00 0.00 173.24 174.43 1jsa h LYS 118 N 0.95 -0.59 -1.12 12.44 3.64 -1.97 -2.41 116.57 127.50 1jsa h LYS 118 Ca -0.40 0.04 0.32 0.00 -1.27 0.00 0.00 60.65 59.34 1jsa h LYS 118 Cb 1.32 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 33.17 1jsa h LYS 118 CO 0.64 -0.29 0.73 -2.95 -2.27 0.00 0.00 179.45 175.31 1jsa h ASN 119 N -0.93 0.35 0.32 4.20 7.08 -1.99 0.25 115.58 124.87 1jsa h ASN 119 Ca -0.06 0.09 -0.02 0.00 -3.08 0.00 0.00 56.30 53.23 1jsa h ASN 119 Cb 0.58 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.86 1jsa h ASN 119 CO 0.10 0.01 -0.15 -0.33 -2.08 0.00 0.00 177.43 174.98 1jsa h GLU 120 N 0.28 -0.41 0.00 4.14 5.08 -1.89 -2.83 114.58 118.95 1jsa h GLU 120 Ca 0.65 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1jsa h GLU 120 Cb 1.85 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1jsa h GLU 120 CO -0.30 -0.10 0.08 0.28 -1.00 0.00 0.00 179.01 177.97 1jsa h VAL 121 N -0.96 0.00 0.44 3.13 2.07 -0.69 -2.29 116.25 117.96 1jsa h VAL 121 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1jsa h VAL 121 Cb 0.51 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1jsa h VAL 121 CO 0.07 0.00 -0.21 0.25 0.02 0.00 0.00 177.57 177.70 1jsa h LEU 122 N 0.00 -0.50 0.07 2.57 7.12 -0.33 -0.45 115.31 123.79 1jsa h LEU 122 Ca 0.00 -0.09 0.02 0.00 0.13 0.00 0.00 57.88 57.94 1jsa h LEU 122 Cb 0.16 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.39 1jsa h LEU 122 CO 0.00 -0.09 -0.20 -0.33 -0.13 0.00 0.00 178.44 177.69 1jsa h GLU 123 N -1.02 -0.35 -0.79 1.25 4.39 -1.21 0.26 114.58 117.11 1jsa h GLU 123 Ca -0.06 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.75 1jsa h GLU 123 Cb 0.56 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.23 1jsa h GLU 123 CO 0.10 -0.23 0.51 0.82 -1.16 0.00 0.00 179.01 179.05 1jsa h ILE 124 N -0.36 0.97 0.11 3.13 5.03 -1.59 0.76 117.51 125.57 1jsa h ILE 124 Ca 0.04 -0.26 -0.01 0.00 -0.12 0.00 0.00 64.86 64.51 1jsa h ILE 124 Cb 0.40 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 34.34 1jsa h ILE 124 CO -0.14 0.14 -0.05 0.58 -0.68 0.00 0.00 178.15 177.99 1jsa h VAL 125 N 0.75 1.09 -0.96 1.67 2.07 0.03 -2.62 116.25 118.28 1jsa h VAL 125 Ca 0.36 -0.94 0.12 0.00 0.82 0.00 0.00 66.70 67.05 1jsa h VAL 125 Cb 0.40 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.75 1jsa h VAL 125 CO -0.13 0.22 0.59 0.74 0.02 0.00 0.00 177.57 179.00 1jsa h THR 126 N -0.61 0.90 0.01 2.57 2.02 -0.01 -1.51 112.91 116.28 1jsa h THR 126 Ca -0.02 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.88 1jsa h THR 126 Cb 0.48 -0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1jsa h THR 126 CO 0.03 0.17 -0.25 0.00 0.37 0.00 0.00 175.52 175.84 1jsa h ALA 127 N 1.52 -0.34 -0.97 6.16 0.00 -0.77 -0.53 119.26 124.34 1jsa h ALA 127 Ca 0.48 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.55 1jsa h ALA 127 Cb 0.48 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1jsa h ALA 127 CO -0.27 -0.75 0.61 0.82 0.00 0.00 0.00 179.25 179.66 1jsa h ILE 128 N -0.39 0.77 -0.95 0.00 2.04 -0.91 0.17 117.51 118.25 1jsa h ILE 128 Ca 0.06 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1jsa h ILE 128 Cb 0.47 -0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 1jsa h ILE 128 CO -0.22 0.14 0.62 0.15 0.00 0.00 0.00 178.15 178.84 1jsa h PHE 129 N 0.74 1.15 -0.15 1.37 3.57 -0.52 -0.46 116.94 122.65 1jsa h PHE 129 Ca 0.52 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 62.00 1jsa h PHE 129 Cb 0.82 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1jsa h PHE 129 CO -0.00 0.66 -0.13 0.87 -2.23 0.00 0.00 178.31 177.48 1jsa h LYS 130 N 1.18 0.24 0.00 1.11 1.79 -0.00 -1.84 116.57 119.04 1jsa h LYS 130 Ca 0.38 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.70 1jsa h LYS 130 Cb 0.04 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1jsa h LYS 130 CO -0.12 0.38 -0.46 0.52 -1.08 0.00 0.00 179.45 178.68 1jsa h MET 131 N 0.23 0.00 -7.00 3.15 2.86 -0.75 -2.95 114.93 110.46 1jsa h MET 131 Ca 0.05 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.14 1jsa h MET 131 Cb 0.37 0.00 0.18 0.00 0.06 0.00 0.00 31.60 32.21 1jsa h MET 131 CO 0.02 0.46 0.17 -0.89 1.06 0.00 0.00 176.91 177.74 1jsa n ILE 132 N -3.48 2.88 -3.45 -1.22 5.41 -0.69 -4.55 119.36 114.26 1jsa n ILE 132 Ca 0.00 -0.36 -0.35 0.00 1.00 0.00 0.00 62.75 63.04 1jsa n ILE 132 Cb 0.59 -1.15 -0.06 0.00 -0.71 0.00 0.00 39.64 38.32 1jsa n ILE 132 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1jsa s SER 133 N -1.69 6.76 0.34 4.38 0.01 -1.26 -4.77 113.70 117.46 1jsa s SER 133 Ca 0.74 0.97 0.07 0.00 1.31 0.00 0.00 55.95 59.04 1jsa s SER 133 Cb -0.34 -2.25 0.75 0.00 0.21 0.00 0.00 66.02 64.40 1jsa s SER 133 CO 0.50 0.15 1.85 -0.65 0.41 0.00 0.00 173.24 175.49 1jsa h PRO 134 N 3.71 0.74 0.00 12.44 0.11 -1.96 0.23 132.00 147.27 1jsa h PRO 134 Ca -0.49 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1jsa h PRO 134 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1jsa h PRO 134 CO 0.66 0.49 -0.36 0.93 -0.21 0.00 0.00 178.00 179.51 1jsa h GLU 135 N 0.76 0.00 0.00 1.05 4.39 -2.02 -2.98 114.58 115.78 1jsa h GLU 135 Ca 0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1jsa h GLU 135 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1jsa h GLU 135 CO -0.23 0.36 -0.76 -3.47 -1.16 0.00 0.00 179.01 173.75 1jsa n ASP 136 N -3.50 0.65 0.08 1.42 2.03 0.39 -3.95 116.55 113.68 1jsa n ASP 136 Ca -0.00 -0.40 0.13 0.00 0.52 0.00 0.00 54.79 55.04 1jsa n ASP 136 Cb 0.51 0.56 0.34 0.00 -0.72 0.00 0.00 41.12 41.81 1jsa n ASP 136 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1jsa n THR 137 N -1.64 0.45 1.67 5.18 -1.04 0.52 -3.23 114.28 116.18 1jsa n THR 137 Ca 0.04 -0.25 0.10 0.00 -2.04 0.00 0.00 64.05 61.90 1jsa n THR 137 Cb 0.36 -0.39 0.49 0.00 -1.82 0.00 0.00 70.33 68.97 1jsa n THR 137 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1jsa n LYS 138 N -2.13 1.32 -0.14 -2.82 2.85 -1.23 -3.91 118.16 112.10 1jsa n LYS 138 Ca 0.05 -0.48 -0.27 0.00 -1.05 0.00 0.00 58.31 56.56 1jsa n LYS 138 Cb 0.42 -1.35 -0.10 0.00 -0.65 0.00 0.00 35.03 33.35 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jsa n HIS 139 N -0.31 0.00 -1.41 5.58 8.25 -1.20 -4.98 115.22 121.14 1jsa n HIS 139 Ca 0.15 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.23 1jsa n HIS 139 Cb 0.18 -1.00 0.03 0.00 1.12 0.00 0.00 29.99 30.33 1jsa n HIS 139 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1jsa n LEU 140 N -4.04 -0.28 -4.57 2.41 -0.00 -1.25 -4.87 117.00 104.39 1jsa n LEU 140 Ca -0.53 0.72 -0.33 0.00 -0.00 0.00 0.00 56.01 55.86 1jsa n LEU 140 Cb 0.91 -1.10 0.12 0.00 -0.00 0.00 0.00 43.42 43.36 1jsa n LEU 140 CO 0.08 -3.47 0.40 -2.65 -0.00 0.00 0.00 177.39 171.75 1jsa n PRO 141 N 0.31 -0.02 -0.03 1.47 -0.01 -1.26 -4.93 135.00 130.53 1jsa n PRO 141 Ca 0.11 0.06 -0.14 0.00 -0.01 0.00 0.00 63.50 63.52 1jsa n PRO 141 Cb 0.47 -2.16 -0.11 0.00 -0.01 0.00 0.00 33.50 31.69 1jsa n PRO 141 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1jsa h GLU 142 N -1.13 0.11 0.00 -0.52 4.22 -1.98 -2.97 114.58 112.31 1jsa h GLU 142 Ca -0.45 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 58.89 1jsa h GLU 142 Cb 1.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1jsa h GLU 142 CO 0.41 0.81 0.00 -0.40 -2.18 0.00 0.00 179.01 177.65 1jsa n ASP 143 N -4.62 0.00 -2.87 1.04 5.75 -1.26 -1.70 116.55 112.89 1jsa n ASP 143 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.56 1jsa n ASP 143 Cb 0.42 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.53 1jsa n ASP 143 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1jsa n GLU 144 N -0.86 1.07 -0.00 0.11 -0.58 -1.12 -4.76 120.64 114.50 1jsa n GLU 144 Ca 0.00 -3.11 0.06 0.00 -0.42 0.00 0.00 57.16 53.69 1jsa n GLU 144 Cb 0.00 -1.32 -0.08 0.00 -0.57 0.00 0.00 31.44 29.48 1jsa n GLU 144 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1jsa n ASN 145 N 0.06 1.12 -4.57 1.62 5.15 -0.69 -4.56 115.26 113.38 1jsa n ASN 145 Ca 0.14 -0.51 -0.25 0.00 -0.60 0.00 0.00 54.58 53.36 1jsa n ASN 145 Cb 0.75 1.19 -0.09 0.00 -0.53 0.00 0.00 39.78 41.10 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jsa s THR 146 N -2.35 3.12 0.03 -0.44 -4.23 -1.26 -5.02 115.64 105.48 1jsa s THR 146 Ca 0.01 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 58.49 1jsa s THR 146 Cb 0.08 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.26 1jsa s THR 146 CO 0.49 -0.26 1.21 -0.65 -0.54 0.00 0.00 174.62 174.87 1jsa h PRO 147 N 2.44 -0.37 -0.48 3.99 0.10 -1.94 0.75 132.00 136.49 1jsa h PRO 147 Ca -0.45 0.03 0.14 0.00 0.10 0.00 0.00 66.00 65.82 1jsa h PRO 147 Cb 1.23 0.08 -0.02 0.00 0.10 0.00 0.00 31.00 32.40 1jsa h PRO 147 CO 0.57 -0.25 0.59 1.05 0.10 0.00 0.00 178.00 180.06 1jsa h GLU 148 N -0.38 0.00 -0.05 1.05 9.09 -1.97 0.85 114.58 123.16 1jsa h GLU 148 Ca -0.03 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.20 1jsa h GLU 148 Cb 0.33 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.44 1jsa h GLU 148 CO -0.02 0.00 -0.68 -0.22 0.05 0.00 0.00 179.01 178.14 1jsa h LYS 149 N 0.00 0.56 0.14 1.06 3.64 -1.57 -3.21 116.57 117.19 1jsa h LYS 149 Ca 0.23 -0.53 -0.25 0.00 -1.27 0.00 0.00 60.65 58.83 1jsa h LYS 149 Cb 1.41 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 33.37 1jsa h LYS 149 CO -0.00 1.15 -1.19 0.00 -2.27 0.00 0.00 179.45 177.14 1jsa h ARG 150 N 0.15 0.29 -0.26 1.90 3.08 0.19 -3.23 114.38 116.50 1jsa h ARG 150 Ca -0.07 -0.50 0.08 0.00 0.07 0.00 0.00 59.98 59.56 1jsa h ARG 150 Cb 1.35 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 1jsa h ARG 150 CO 0.14 1.24 0.66 0.00 -1.07 0.00 0.00 179.97 180.93 1jsa h ALA 151 N 0.02 1.93 0.00 0.04 0.00 0.37 2.40 119.26 124.02 1jsa h ALA 151 Ca -0.24 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1jsa h ALA 151 Cb 1.75 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1jsa h ALA 151 CO 0.11 -0.79 -0.85 1.49 0.00 0.00 0.00 179.25 179.21 1jsa h GLU 152 N 0.00 0.00 0.24 0.00 4.22 -1.57 -2.44 114.58 115.03 1jsa h GLU 152 Ca 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 1jsa h GLU 152 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1jsa h GLU 152 CO -0.00 0.72 -0.11 0.87 -2.18 0.00 0.00 179.01 178.31 1jsa h LYS 153 N 0.00 -0.31 0.59 1.92 1.79 0.40 -0.51 116.57 120.45 1jsa h LYS 153 Ca -0.03 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1jsa h LYS 153 Cb 1.61 0.07 0.01 0.00 -1.58 0.00 0.00 32.23 32.33 1jsa h LYS 153 CO 0.09 0.07 -0.29 0.82 -1.08 0.00 0.00 179.45 179.06 1jsa h ILE 154 N -0.83 0.39 -0.88 1.86 2.04 -1.58 -1.59 117.51 116.92 1jsa h ILE 154 Ca -0.03 -0.13 0.22 0.00 1.00 0.00 0.00 64.86 65.92 1jsa h ILE 154 Cb 0.51 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1jsa h ILE 154 CO 0.05 0.02 0.60 -0.25 0.00 0.00 0.00 178.15 178.58 1jsa h TRP 155 N -0.89 0.30 0.00 1.37 2.91 -1.54 0.81 115.95 118.91 1jsa h TRP 155 Ca -0.08 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.86 1jsa h TRP 155 Cb 0.64 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 1jsa h TRP 155 CO -0.02 0.07 -0.40 0.78 -1.03 0.00 0.00 178.44 177.85 1jsa h GLY 156 N 0.22 0.00 0.97 2.65 0.00 -0.49 -2.82 103.07 103.60 1jsa h GLY 156 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 1jsa h GLY 156 CO -0.11 0.00 0.18 -2.75 0.00 0.00 0.00 176.54 173.86 1jsa h PHE 157 N 0.00 0.42 -0.39 5.60 3.04 0.16 -2.88 116.94 122.89 1jsa h PHE 157 Ca -0.00 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.84 1jsa h PHE 157 Cb 0.89 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 1jsa h PHE 157 CO 0.00 0.33 -0.14 0.74 -2.02 0.00 0.00 178.31 177.22 1jsa h PHE 158 N 0.39 0.88 -1.57 0.41 0.04 -1.47 -3.48 116.94 112.14 1jsa h PHE 158 Ca 0.11 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1jsa h PHE 158 Cb 0.04 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.98 1jsa h PHE 158 CO -0.04 0.93 0.00 0.41 -0.60 0.00 0.00 178.31 179.02 1jsa n GLY 159 N -0.13 0.52 0.36 -1.45 0.00 -1.07 -5.12 105.19 98.30 1jsa n GLY 159 Ca -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 1jsa n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 160 N -0.63 1.20 0.00 1.61 4.76 -1.26 -5.08 118.16 118.77 1jsa n LYS 160 Ca 0.00 -0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.14 1jsa n LYS 160 Cb 0.26 0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 1jsa n LYS 160 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1jsa n LYS 161 N -0.86 0.00 0.42 1.97 2.85 -1.26 -5.00 118.16 116.28 1jsa n LYS 161 Ca 0.01 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.08 1jsa n LYS 161 Cb 0.06 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.35 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1jsa h ASP 162 N 0.00 -0.89 -2.77 -5.58 3.32 -2.07 -3.29 116.42 105.14 1jsa h ASP 162 Ca 0.00 0.02 -0.77 0.00 0.02 0.00 0.00 57.03 56.30 1jsa h ASP 162 Cb 0.00 0.23 -0.30 0.00 0.22 0.00 0.00 39.33 39.48 1jsa h ASP 162 CO 0.00 -0.61 0.57 0.47 -1.72 0.00 0.00 179.24 177.95 1jsa n ASP 163 N -5.53 6.04 -3.15 6.45 9.92 -1.26 -4.87 116.55 124.15 1jsa n ASP 163 Ca -0.14 -3.44 0.04 0.00 -0.53 0.00 0.00 54.79 50.72 1jsa n ASP 163 Cb 0.42 -1.17 -0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1jsa n ASP 163 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1jsa s ASP 164 N -1.92 -1.34 0.04 -2.24 1.01 -1.24 -5.14 116.67 105.83 1jsa s ASP 164 Ca 0.33 0.20 0.06 0.00 0.71 0.00 0.00 52.55 53.85 1jsa s ASP 164 Cb 0.07 1.87 -0.03 0.00 1.01 0.00 0.00 42.92 45.84 1jsa s ASP 164 CO 0.08 -0.25 -0.15 -0.54 0.21 0.00 0.00 175.17 174.52 1jsa s LYS 165 N 2.86 2.17 0.35 8.23 1.02 -1.26 -4.02 119.74 129.09 1jsa s LYS 165 Ca 0.14 -0.94 -0.23 0.00 0.02 0.00 0.00 55.97 54.97 1jsa s LYS 165 Cb -0.09 -2.26 -0.10 0.00 -0.52 0.00 0.00 37.83 34.87 1jsa s LYS 165 CO -0.25 0.55 0.90 -1.17 -0.92 0.00 0.00 175.35 174.46 1jsa s LEU 166 N -1.51 4.18 0.12 3.17 2.96 -1.07 -4.83 118.68 121.69 1jsa s LEU 166 Ca 0.16 1.69 0.02 0.00 -0.22 0.00 0.00 54.13 55.78 1jsa s LEU 166 Cb -0.11 -4.16 -0.04 0.00 0.50 0.00 0.00 46.19 42.38 1jsa s LEU 166 CO 0.07 -0.17 -0.06 0.28 -1.32 0.00 0.00 176.35 175.15 1jsa s THR 167 N -1.83 0.73 0.16 3.68 -1.32 -1.26 0.74 115.64 116.53 1jsa s THR 167 Ca 0.54 -1.96 -0.30 0.00 -1.21 0.00 0.00 61.69 58.76 1jsa s THR 167 Cb -0.14 -1.78 -0.05 0.00 -1.51 0.00 0.00 72.50 69.02 1jsa s THR 167 CO 0.19 -0.78 1.54 -0.08 -2.21 0.00 0.00 174.62 173.28 1jsa h GLU 168 N 2.90 -0.04 -0.98 7.08 4.81 -1.94 1.22 114.58 127.63 1jsa h GLU 168 Ca -0.36 0.00 0.30 0.00 -0.13 0.00 0.00 59.36 59.17 1jsa h GLU 168 Cb 1.18 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.39 1jsa h GLU 168 CO 0.64 -0.02 0.16 -0.22 -0.73 0.00 0.00 179.01 178.83 1jsa h LYS 169 N -0.04 0.03 0.11 1.92 3.64 -1.97 -1.30 116.57 118.96 1jsa h LYS 169 Ca 0.17 -0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.20 1jsa h LYS 169 Cb 0.44 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1jsa h LYS 169 CO -0.91 0.02 -1.87 0.39 -2.27 0.00 0.00 179.45 174.81 1jsa n GLU 170 N -5.41 0.73 0.21 1.90 -0.58 0.31 -3.82 120.64 113.98 1jsa n GLU 170 Ca 0.26 0.31 0.10 0.00 -0.42 0.00 0.00 57.16 57.41 1jsa n GLU 170 Cb 0.86 -1.72 0.29 0.00 -0.57 0.00 0.00 31.44 30.30 1jsa n GLU 170 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1jsa h PHE 171 N -0.10 0.00 0.06 -0.32 3.57 0.25 1.17 116.94 121.57 1jsa h PHE 171 Ca -0.41 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 60.75 1jsa h PHE 171 Cb 1.92 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.62 1jsa h PHE 171 CO 0.08 0.00 -1.98 -0.89 -2.23 0.00 0.00 178.31 173.29 1jsa n ILE 172 N -2.79 1.67 -0.04 1.41 5.41 -0.92 -4.24 119.36 119.85 1jsa n ILE 172 Ca 0.05 -0.71 -0.00 0.00 1.00 0.00 0.00 62.75 63.08 1jsa n ILE 172 Cb 0.96 -1.37 -0.00 0.00 -0.71 0.00 0.00 39.64 38.52 1jsa n ILE 172 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jsa h GLU 173 N 0.04 0.00 -0.73 0.38 4.39 0.12 -2.27 114.58 116.51 1jsa h GLU 173 Ca -0.40 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.51 1jsa h GLU 173 Cb 2.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.65 1jsa h GLU 173 CO 0.06 0.00 1.15 0.78 -1.16 0.00 0.00 179.01 179.84 1jsa h GLY 174 N -0.82 0.00 0.47 -3.84 0.00 -1.38 2.21 103.07 99.71 1jsa h GLY 174 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1jsa h GLY 174 CO 0.00 0.00 -2.07 -1.30 0.00 0.00 0.00 176.54 173.17 1jsa n THR 175 N -3.04 1.52 -0.07 4.70 -2.24 -1.24 -3.74 114.28 110.17 1jsa n THR 175 Ca 0.16 -0.80 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 1jsa n THR 175 Cb 1.37 -0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1jsa n THR 175 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jsa h LEU 176 N 0.01 0.90 0.10 3.22 3.38 0.42 -3.36 115.31 119.98 1jsa h LEU 176 Ca -0.43 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.07 1jsa h LEU 176 Cb 2.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1jsa h LEU 176 CO 0.05 1.25 -0.05 0.00 0.09 0.00 0.00 178.44 179.78 1jsa h ALA 177 N 0.77 -0.57 -2.19 1.53 0.00 -1.32 -3.42 119.26 114.06 1jsa h ALA 177 Ca 0.02 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1jsa h ALA 177 Cb 1.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1jsa h ALA 177 CO 0.11 -0.56 1.02 -0.80 0.00 0.00 0.00 179.25 179.02 1jsa s ASN 178 N -2.86 6.74 0.16 0.00 0.01 -1.24 -4.86 114.94 112.87 1jsa s ASN 178 Ca -0.02 1.94 0.26 0.00 -0.71 0.00 0.00 52.86 54.33 1jsa s ASN 178 Cb 0.00 -2.53 0.76 0.00 0.41 0.00 0.00 41.25 39.89 1jsa s ASN 178 CO 0.06 -0.91 1.69 0.29 -1.51 0.00 0.00 177.10 176.72 1jsa n LYS 179 N 7.01 0.22 0.11 -0.60 4.76 -1.26 -3.25 118.16 125.15 1jsa n LYS 179 Ca 0.16 0.15 0.12 0.00 -2.87 0.00 0.00 58.31 55.88 1jsa n LYS 179 Cb 0.44 -1.73 0.45 0.00 -1.84 0.00 0.00 35.03 32.35 1jsa n LYS 179 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1jsa n GLU 180 N -2.10 0.22 -0.02 1.97 1.02 -1.26 -3.37 120.64 117.10 1jsa n GLU 180 Ca 0.05 0.31 -0.22 0.00 -0.02 0.00 0.00 57.16 57.29 1jsa n GLU 180 Cb 0.42 -1.83 -0.13 0.00 -0.02 0.00 0.00 31.44 29.88 1jsa n GLU 180 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1jsa n ILE 181 N -2.22 1.73 0.00 -3.67 5.41 -1.20 -4.07 119.36 115.34 1jsa n ILE 181 Ca 0.04 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1jsa n ILE 181 Cb 0.32 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 1jsa n ILE 181 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1jsa n LEU 182 N -3.68 0.00 0.05 1.39 -0.00 -1.22 0.02 117.00 113.57 1jsa n LEU 182 Ca -0.32 0.39 0.03 0.00 -0.00 0.00 0.00 56.01 56.10 1jsa n LEU 182 Cb 0.97 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 44.53 1jsa n LEU 182 CO 0.38 0.00 0.60 0.54 -0.00 0.00 0.00 177.39 178.91 1jsa n ARG 183 N -0.79 0.03 0.00 1.96 1.74 -1.26 -0.71 116.66 117.63 1jsa n ARG 183 Ca 0.00 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1jsa n ARG 183 Cb 0.00 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 1jsa n ARG 183 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1jsa n LEU 184 N -1.60 0.18 0.23 0.55 0.00 0.10 -4.20 117.00 112.26 1jsa n LEU 184 Ca -0.00 0.52 0.10 0.00 0.00 0.00 0.00 56.01 56.63 1jsa n LEU 184 Cb 0.16 -0.47 0.49 0.00 0.00 0.00 0.00 43.42 43.61 1jsa n LEU 184 CO 0.02 -0.47 0.82 0.16 0.00 0.00 0.00 177.39 177.93 1jsa h ILE 185 N 0.00 0.52 -1.39 1.96 -0.00 -0.97 -3.44 117.51 114.19 1jsa h ILE 185 Ca 0.00 -1.05 -0.77 0.00 -0.00 0.00 0.00 64.86 63.03 1jsa h ILE 185 Cb 0.00 1.73 0.02 0.00 -0.00 0.00 0.00 36.82 38.56 1jsa h ILE 185 CO 0.00 0.20 0.80 1.67 -0.00 0.00 0.00 178.15 180.82 1jsa n GLN 186 N -3.39 0.81 0.10 0.16 7.27 0.11 -4.81 117.38 117.63 1jsa n GLN 186 Ca 0.00 0.30 0.12 0.00 0.07 0.00 0.00 57.00 57.49 1jsa n GLN 186 Cb 0.41 -1.93 0.09 0.00 2.41 0.00 0.00 30.24 31.22 1jsa n GLN 186 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1jsa h PHE 187 N 6.35 0.00 0.00 3.69 -5.15 -1.89 -3.48 116.94 116.46 1jsa h PHE 187 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 1jsa h PHE 187 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.51 1jsa h PHE 187 CO 0.72 0.00 0.00 0.39 -2.00 0.00 0.00 178.31 177.42