#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa n ASN 2 N 0.00 0.00 0.00 1.61 0.23 -1.26 -5.13 115.26 110.72 1jsa n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jsa n ASN 2 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1jsa n ASN 2 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1jsa n SER 3 N 0.00 0.00 -3.53 0.53 3.41 -1.26 -4.78 113.62 107.99 1jsa n SER 3 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1jsa n SER 3 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1jsa n SER 3 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jsa n LYS 4 N 14.00 -4.36 0.00 4.33 4.76 -1.26 -4.74 118.16 130.89 1jsa n LYS 4 Ca 0.00 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 1jsa n LYS 4 Cb 0.00 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 27.81 1jsa n LYS 4 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1jsa n SER 5 N -2.53 0.00 0.20 4.39 7.64 -1.26 -4.81 113.62 117.25 1jsa n SER 5 Ca -0.01 -0.43 0.14 0.00 1.01 0.00 0.00 58.87 59.58 1jsa n SER 5 Cb 0.55 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 64.22 1jsa n SER 5 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1jsa h GLY 6 N 0.00 0.00 -5.01 0.23 0.00 -2.00 -3.34 103.07 92.95 1jsa h GLY 6 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1jsa h GLY 6 CO 0.00 0.00 1.26 0.00 0.00 0.00 0.00 176.54 177.80 1jsa n ALA 7 N -1.97 3.97 -1.81 3.60 0.00 -1.26 -4.87 120.51 118.18 1jsa n ALA 7 Ca 0.03 -1.33 -0.35 0.00 0.00 0.00 0.00 53.44 51.78 1jsa n ALA 7 Cb 0.36 -2.61 -0.07 0.00 0.00 0.00 0.00 19.45 17.13 1jsa n ALA 7 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1jsa s LEU 8 N 0.04 4.19 0.00 0.00 0.05 -1.26 -4.63 118.68 117.07 1jsa s LEU 8 Ca 0.34 1.77 0.00 0.00 0.05 0.00 0.00 54.13 56.29 1jsa s LEU 8 Cb 0.12 -4.21 0.00 0.00 -2.05 0.00 0.00 46.19 40.06 1jsa s LEU 8 CO -0.02 -0.18 0.00 -1.20 -0.55 0.00 0.00 176.35 174.41 1jsa n SER 9 N 0.10 0.00 0.20 1.48 7.64 -1.26 -4.91 113.62 116.87 1jsa n SER 9 Ca 0.04 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.05 1jsa n SER 9 Cb 0.52 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 64.06 1jsa n SER 9 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jsa h LYS 10 N 0.00 0.00 0.01 1.43 1.57 -1.98 -1.79 116.57 115.81 1jsa h LYS 10 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1jsa h LYS 10 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1jsa h LYS 10 CO 0.00 0.00 -1.27 1.49 -0.57 0.00 0.00 179.45 179.10 1jsa h GLU 11 N 0.00 0.02 0.04 3.15 4.81 -1.91 -3.12 114.58 117.58 1jsa h GLU 11 Ca 0.00 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 58.92 1jsa h GLU 11 Cb 0.81 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 1jsa h GLU 11 CO 0.00 0.85 -1.41 0.82 -0.73 0.00 0.00 179.01 178.54 1jsa h ILE 12 N 0.01 1.24 0.00 2.32 2.04 -1.91 -3.24 117.51 117.97 1jsa h ILE 12 Ca -0.12 -2.98 -0.08 0.00 1.00 0.00 0.00 64.86 62.68 1jsa h ILE 12 Cb 1.87 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 40.61 1jsa h ILE 12 CO 0.12 0.77 -0.39 0.17 0.00 0.00 0.00 178.15 178.81 1jsa h LEU 13 N 0.02 0.00 -0.73 1.44 8.10 -1.44 -0.82 115.31 121.88 1jsa h LEU 13 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.81 1jsa h LEU 13 Cb 1.93 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.15 1jsa h LEU 13 CO 0.12 0.39 0.31 1.21 -4.11 0.00 0.00 178.44 176.36 1jsa n GLU 14 N -3.73 0.08 0.00 0.17 2.13 -1.18 0.40 120.64 118.50 1jsa n GLU 14 Ca -0.01 0.53 0.13 0.00 0.66 0.00 0.00 57.16 58.47 1jsa n GLU 14 Cb 0.47 -2.05 0.50 0.00 0.27 0.00 0.00 31.44 30.63 1jsa n GLU 14 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1jsa n GLU 15 N -1.95 0.22 -0.11 5.31 -0.58 -0.31 -4.38 120.64 118.85 1jsa n GLU 15 Ca -0.01 -0.07 0.10 0.00 -0.42 0.00 0.00 57.16 56.76 1jsa n GLU 15 Cb 0.32 -1.50 0.17 0.00 -0.57 0.00 0.00 31.44 29.87 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 -1.32 0.08 -0.06 -4.62 -0.00 1.30 0.18 117.00 112.56 1jsa n LEU 16 Ca 0.09 0.42 -0.13 0.00 -0.00 0.00 0.00 56.01 56.39 1jsa n LEU 16 Cb 0.32 -0.21 -0.12 0.00 -0.00 0.00 0.00 43.42 43.41 1jsa n LEU 16 CO 0.28 -0.46 0.41 -0.61 -0.00 0.00 0.00 177.39 177.01 1jsa h GLN 17 N 0.00 -0.01 -1.73 1.47 4.15 -1.80 -3.27 115.11 113.92 1jsa h GLN 17 Ca 0.24 0.00 0.50 0.00 0.77 0.00 0.00 58.65 60.16 1jsa h GLN 17 Cb 0.69 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.31 1jsa h GLN 17 CO -0.17 0.86 1.24 1.25 -1.93 0.00 0.00 178.83 180.08 1jsa h LEU 18 N -0.92 0.02 -7.00 -2.39 5.85 0.16 -3.40 115.31 107.64 1jsa h LEU 18 Ca -0.00 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.87 1jsa h LEU 18 Cb 0.87 0.01 -0.30 0.00 0.37 0.00 0.00 40.66 41.62 1jsa h LEU 18 CO 0.00 -0.01 0.57 0.21 -0.34 0.00 0.00 178.44 178.87 1jsa s ASN 19 N -4.26 -0.31 -0.19 1.25 2.47 -1.13 -4.98 114.94 107.79 1jsa s ASN 19 Ca -0.05 0.52 -0.39 0.00 0.42 0.00 0.00 52.86 53.35 1jsa s ASN 19 Cb 0.26 0.96 -0.15 0.00 -1.45 0.00 0.00 41.25 40.87 1jsa s ASN 19 CO 0.87 -0.08 1.68 0.41 -3.72 0.00 0.00 177.10 176.25 1jsa n THR 20 N 3.03 0.27 -3.87 -5.21 -1.04 -1.25 -4.55 114.28 101.66 1jsa n THR 20 Ca -0.16 -0.05 -0.34 0.00 -2.04 0.00 0.00 64.05 61.46 1jsa n THR 20 Cb 0.57 -1.21 -0.05 0.00 -1.82 0.00 0.00 70.33 67.82 1jsa n THR 20 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1jsa s LYS 21 N 2.98 3.47 -0.30 -2.82 -0.14 -1.26 -4.91 119.74 116.76 1jsa s LYS 21 Ca 0.95 -0.26 -0.03 0.00 -1.36 0.00 0.00 55.97 55.27 1jsa s LYS 21 Cb -1.01 -3.09 -0.09 0.00 -1.68 0.00 0.00 37.83 31.96 1jsa s LYS 21 CO 0.61 0.67 1.88 0.34 -0.76 0.00 0.00 175.35 178.09 1jsa n PHE 22 N 1.02 0.45 -1.96 3.18 7.35 -1.26 -4.65 117.46 121.59 1jsa n PHE 22 Ca -0.11 -1.08 0.00 0.00 -0.76 0.00 0.00 57.45 55.50 1jsa n PHE 22 Cb 0.53 -1.14 0.00 0.00 0.35 0.00 0.00 39.48 39.21 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 3.45-11.97 0.26 -2.13 -2.24 -1.26 -3.92 114.28 96.47 1jsa n THR 23 Ca 0.26 2.88 0.07 0.00 -2.27 0.00 0.00 64.05 64.99 1jsa n THR 23 Cb 0.28 -5.30 0.40 0.00 -2.10 0.00 0.00 70.33 63.61 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 3.70 0.00 0.00 -0.78 -0.00 -1.98 0.89 114.58 116.41 1jsa h GLU 24 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1jsa h GLU 24 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1jsa h GLU 24 CO 0.00 0.00 -0.04 1.49 -0.00 0.00 0.00 179.01 180.46 1jsa h GLU 25 N 0.00 0.00 0.23 1.06 4.81 -1.98 -2.61 114.58 116.09 1jsa h GLU 25 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1jsa h GLU 25 Cb 1.04 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.44 1jsa h GLU 25 CO 0.00 0.04 -1.54 1.49 -0.73 0.00 0.00 179.01 178.27 1jsa h GLU 26 N 0.00 0.48 0.00 1.92 4.57 0.71 -3.22 114.58 119.04 1jsa h GLU 26 Ca -0.00 -0.82 0.00 0.00 -1.18 0.00 0.00 59.36 57.36 1jsa h GLU 26 Cb 0.29 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1jsa h GLU 26 CO 0.01 1.39 0.00 1.28 -1.18 0.00 0.00 179.01 180.51 1jsa n LEU 27 N -3.71 0.00 -0.07 1.64 4.32 -0.99 -2.77 117.00 115.42 1jsa n LEU 27 Ca -0.20 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.67 1jsa n LEU 27 Cb 1.08 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.78 1jsa n LEU 27 CO 0.57 0.00 0.09 0.28 -1.22 0.00 0.00 177.39 177.11 1jsa h SER 28 N 0.00 0.00 -0.40 -1.43 0.02 -1.54 -3.35 113.55 106.86 1jsa h SER 28 Ca 0.00 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1jsa h SER 28 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jsa h SER 28 CO 0.00 1.00 0.00 -1.54 -1.14 0.00 0.00 176.83 175.15 1jsa n SER 29 N -4.60 2.15 -0.08 3.07 3.41 -1.17 -4.18 113.62 112.22 1jsa n SER 29 Ca -0.13 -2.01 -0.15 0.00 -0.26 0.00 0.00 58.87 56.33 1jsa n SER 29 Cb 0.42 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 1jsa n SER 29 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1jsa h TRP 30 N 2.33 0.00 -0.34 7.33 2.91 -1.64 -3.09 115.95 123.44 1jsa h TRP 30 Ca 0.00 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.12 1jsa h TRP 30 Cb 0.54 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 1jsa h TRP 30 CO 0.27 1.01 0.49 0.10 -1.03 0.00 0.00 178.44 179.28 1jsa h TYR 31 N -1.00 0.00 0.00 2.65 -0.00 -1.73 -2.15 116.97 114.74 1jsa h TYR 31 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.57 1jsa h TYR 31 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.72 1jsa h TYR 31 CO 0.11 0.00 -0.24 0.37 -0.00 0.00 0.00 178.16 178.40 1jsa h GLN 32 N 0.00 0.00 -0.63 0.10 4.15 -1.79 -3.09 115.11 113.85 1jsa h GLN 32 Ca 0.16 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.77 1jsa h GLN 32 Cb 1.14 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 1jsa h GLN 32 CO -0.00 0.00 0.98 0.66 -1.93 0.00 0.00 178.83 178.54 1jsa h SER 33 N -0.77 0.00 0.38 -0.69 4.64 -1.40 2.16 113.55 117.87 1jsa h SER 33 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1jsa h SER 33 Cb 0.24 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1jsa h SER 33 CO 0.00 0.00 -1.50 0.15 -0.87 0.00 0.00 176.83 174.61 1jsa h PHE 34 N 0.00 0.68 0.00 4.77 3.57 -1.51 -2.63 116.94 121.82 1jsa h PHE 34 Ca 0.30 -0.50 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 1jsa h PHE 34 Cb 2.25 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.97 1jsa h PHE 34 CO 0.00 1.48 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.48 1jsa h LEU 35 N 0.10 0.00 0.18 0.59 3.38 0.36 0.79 115.31 120.72 1jsa h LEU 35 Ca -0.25 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.39 1jsa h LEU 35 Cb 2.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.83 1jsa h LEU 35 CO 0.21 0.01 -1.63 0.11 0.09 0.00 0.00 178.44 177.23 1jsa h LYS 36 N 0.00 0.38 -0.07 1.13 6.56 -1.40 -3.13 116.57 120.04 1jsa h LYS 36 Ca -0.00 -0.65 0.00 0.00 -1.06 0.00 0.00 60.65 58.94 1jsa h LYS 36 Cb 0.03 0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1jsa h LYS 36 CO 0.00 1.28 0.00 0.39 -2.06 0.00 0.00 179.45 179.06 1jsa n GLU 37 N -3.57 1.62 -2.92 3.15 -0.58 -0.67 -4.65 120.64 113.02 1jsa n GLU 37 Ca -0.20 -0.92 0.02 0.00 -0.42 0.00 0.00 57.16 55.64 1jsa n GLU 37 Cb 1.07 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.50 1jsa n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jsa h PRO 39 N 6.08 0.45 -5.25 0.00 0.11 -1.73 -3.37 132.00 128.29 1jsa h PRO 39 Ca -0.03 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1jsa h PRO 39 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jsa h PRO 39 CO -0.04 0.45 0.03 0.43 -0.21 0.00 0.00 178.00 178.67 1jsa n SER 40 N -4.33 1.59 -0.30 -2.05 7.64 -1.26 -4.73 113.62 110.18 1jsa n SER 40 Ca 0.01 -1.82 0.11 0.00 1.01 0.00 0.00 58.87 58.19 1jsa n SER 40 Cb 0.20 -1.67 0.28 0.00 -1.01 0.00 0.00 64.21 62.01 1jsa n SER 40 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1jsa h GLY 41 N 22.47 1.43 -6.92 0.23 0.00 -1.97 -3.35 103.07 114.96 1jsa h GLY 41 Ca 0.00 -0.15 -0.63 0.00 0.00 0.00 0.00 47.33 46.55 1jsa h GLY 41 CO 1.01 -0.24 0.11 0.50 0.00 0.00 0.00 176.54 177.92 1jsa s ARG 42 N -5.92 3.69 0.38 4.80 0.52 -1.26 -4.23 118.95 116.92 1jsa s ARG 42 Ca -0.12 0.03 -0.04 0.00 -0.52 0.00 0.00 55.73 55.09 1jsa s ARG 42 Cb 0.24 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1jsa s ARG 42 CO 0.78 -0.70 0.64 0.42 0.02 0.00 0.00 175.30 176.45 1jsa s ILE 43 N 2.64 4.99 0.08 1.52 1.09 -0.71 -4.85 121.20 125.96 1jsa s ILE 43 Ca 0.23 -0.01 0.04 0.00 -1.10 0.00 0.00 60.65 59.81 1jsa s ILE 43 Cb -0.15 -3.81 -0.03 0.00 -1.06 0.00 0.00 42.46 37.41 1jsa s ILE 43 CO 0.14 -0.58 -0.11 -0.89 -0.10 0.00 0.00 174.94 173.41 1jsa s THR 44 N -2.38 0.90 0.45 2.92 2.01 -1.26 -1.49 115.64 116.78 1jsa s THR 44 Ca 0.44 -1.40 0.17 0.00 0.31 0.00 0.00 61.69 61.21 1jsa s THR 44 Cb -0.10 -1.09 0.17 0.00 0.01 0.00 0.00 72.50 71.49 1jsa s THR 44 CO 0.37 -0.41 1.47 -0.09 -0.69 0.00 0.00 174.62 175.26 1jsa h ARG 45 N 4.01 0.00 0.01 4.92 2.43 -1.92 0.32 114.38 124.14 1jsa h ARG 45 Ca -0.38 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1jsa h ARG 45 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1jsa h ARG 45 CO 0.46 0.00 -0.00 1.96 -1.51 0.00 0.00 179.97 180.88 1jsa h GLN 46 N 0.00 -0.01 0.00 0.20 4.20 -1.97 -3.35 115.11 114.17 1jsa h GLN 46 Ca 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1jsa h GLN 46 Cb 0.96 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1jsa h GLN 46 CO 0.00 0.80 -0.67 1.49 -0.67 0.00 0.00 178.83 179.77 1jsa h GLU 47 N -0.94 0.00 -1.55 1.46 4.81 -1.36 -3.27 114.58 113.73 1jsa h GLU 47 Ca -0.00 0.00 0.45 0.00 -0.13 0.00 0.00 59.36 59.68 1jsa h GLU 47 Cb 0.81 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.12 1jsa h GLU 47 CO 0.00 0.67 1.10 0.35 -0.73 0.00 0.00 179.01 180.40 1jsa h PHE 48 N 0.00 0.09 0.00 0.92 3.04 -0.61 1.51 116.94 121.88 1jsa h PHE 48 Ca -0.01 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1jsa h PHE 48 Cb 1.50 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.98 1jsa h PHE 48 CO 0.00 -0.02 -0.15 0.37 -2.02 0.00 0.00 178.31 176.49 1jsa h GLN 49 N 0.03 0.00 0.00 1.11 4.15 -1.74 -2.42 115.11 116.23 1jsa h GLN 49 Ca 0.76 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 60.15 1jsa h GLN 49 Cb 2.94 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 30.63 1jsa h GLN 49 CO -0.07 0.15 -0.16 1.15 -1.93 0.00 0.00 178.83 177.98 1jsa h THR 50 N 0.00 0.31 0.00 2.39 2.02 0.19 -3.13 112.91 114.69 1jsa h THR 50 Ca -0.00 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1jsa h THR 50 Cb 0.49 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1jsa h THR 50 CO 0.02 0.15 -0.17 0.40 0.37 0.00 0.00 175.52 176.29 1jsa h ILE 51 N 0.00 0.00 -1.47 3.11 2.04 -1.46 -3.35 117.51 116.37 1jsa h ILE 51 Ca -0.00 -0.59 0.43 0.00 1.00 0.00 0.00 64.86 65.70 1jsa h ILE 51 Cb 0.91 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1jsa h ILE 51 CO 0.02 0.00 1.09 0.22 0.00 0.00 0.00 178.15 179.48 1jsa h TYR 52 N -0.59 0.00 -0.52 1.37 3.20 -1.67 1.15 116.97 119.91 1jsa h TYR 52 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1jsa h TYR 52 Cb 0.17 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1jsa h TYR 52 CO -0.07 0.00 0.29 0.66 -1.64 0.00 0.00 178.16 177.40 1jsa h SER 53 N 0.00 0.62 0.00 -2.11 4.64 -1.68 -1.19 113.55 113.84 1jsa h SER 53 Ca 0.70 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1jsa h SER 53 Cb 2.87 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 64.80 1jsa h SER 53 CO -0.01 0.50 0.22 1.17 -0.87 0.00 0.00 176.83 177.84 1jsa n LYS 54 N -4.41 0.00 -4.29 4.77 4.81 0.39 -4.53 118.16 114.91 1jsa n LYS 54 Ca 0.05 0.27 -0.17 0.00 -0.87 0.00 0.00 58.31 57.58 1jsa n LYS 54 Cb 0.09 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.33 1jsa n LYS 54 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1jsa s PHE 55 N -2.52 1.50 -1.26 5.64 0.08 -0.45 -4.90 117.98 116.06 1jsa s PHE 55 Ca 0.00 -1.41 -0.07 0.00 0.12 0.00 0.00 56.93 55.57 1jsa s PHE 55 Cb 0.00 -0.75 -0.01 0.00 -0.57 0.00 0.00 43.02 41.69 1jsa s PHE 55 CO 0.00 -0.60 0.69 1.19 -0.10 0.00 0.00 175.22 176.40 1jsa n PHE 56 N -0.49 -1.90 0.10 0.36 3.72 -1.26 -4.85 117.46 113.14 1jsa n PHE 56 Ca 0.02 0.71 0.02 0.00 -0.05 0.00 0.00 57.45 58.15 1jsa n PHE 56 Cb 0.65 -3.96 0.38 0.00 -0.94 0.00 0.00 39.48 35.61 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 -1.81 0.27 0.00 -1.08 0.13 -1.91 -3.33 132.00 124.28 1jsa h PRO 57 Ca -0.63 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1jsa h PRO 57 Cb 1.36 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1jsa h PRO 57 CO 0.54 0.39 0.00 0.39 -0.23 0.00 0.00 178.00 179.10 1jsa n GLU 58 N -4.28 0.00 0.00 0.86 -0.58 -1.26 -4.76 120.64 110.62 1jsa n GLU 58 Ca -0.00 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1jsa n GLU 58 Cb 0.26 -0.88 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jsa n ALA 59 N -1.33 0.00 -3.18 0.62 0.00 -1.25 -5.01 120.51 110.36 1jsa n ALA 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1jsa n ALA 59 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1jsa n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jsa n ASP 60 N 0.00 0.13 0.00 0.00 9.92 -1.22 -4.92 116.55 120.47 1jsa n ASP 60 Ca 0.00 -2.74 0.04 0.00 -0.53 0.00 0.00 54.79 51.56 1jsa n ASP 60 Cb 0.00 -0.55 0.25 0.00 -0.64 0.00 0.00 41.12 40.18 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1jsa n PRO 61 N 1.31 0.54 0.11 -0.24 -0.04 -1.26 -3.84 135.00 131.58 1jsa n PRO 61 Ca 0.21 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.69 1jsa n PRO 61 Cb 0.55 -1.25 0.13 0.00 -0.04 0.00 0.00 33.50 32.89 1jsa n PRO 61 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jsa n LYS 62 N -0.75 0.04 0.01 0.54 2.85 -1.26 0.21 118.16 119.81 1jsa n LYS 62 Ca 0.06 0.40 -0.03 0.00 -1.05 0.00 0.00 58.31 57.69 1jsa n LYS 62 Cb 0.03 -2.07 -0.10 0.00 -0.65 0.00 0.00 35.03 32.24 1jsa n LYS 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jsa h ALA 63 N 0.63 0.70 0.00 0.58 0.00 -1.88 -3.34 119.26 115.95 1jsa h ALA 63 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1jsa h ALA 63 Cb 0.91 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1jsa h ALA 63 CO 0.00 1.16 -0.58 -0.92 0.00 0.00 0.00 179.25 178.91 1jsa h TYR 64 N 0.00 0.00 0.00 0.00 3.20 0.23 -3.27 116.97 117.13 1jsa h TYR 64 Ca -0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1jsa h TYR 64 Cb 1.74 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.01 1jsa h TYR 64 CO 0.00 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.52 1jsa n ALA 65 N -1.91 2.23 0.01 1.82 0.00 -0.87 -3.17 120.51 118.61 1jsa n ALA 65 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1jsa n ALA 65 Cb 0.47 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 1jsa n ALA 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jsa n GLN 66 N -1.76 0.62 -0.01 0.00 6.02 -1.23 -4.12 117.38 116.91 1jsa n GLN 66 Ca 0.06 0.26 -0.17 0.00 -0.01 0.00 0.00 57.00 57.14 1jsa n GLN 66 Cb 0.35 -1.81 -0.06 0.00 1.02 0.00 0.00 30.24 29.74 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 1.01 0.00 1.08 3.86 -1.68 -3.01 115.15 116.42 1jsa h HIS 67 Ca -0.22 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 58.53 1jsa h HIS 67 Cb 1.78 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 30.10 1jsa h HIS 67 CO 0.00 1.29 0.25 1.55 0.86 0.00 0.00 177.93 181.88 1jsa n VAL 68 N -3.91 0.88 0.00 2.45 3.14 -1.21 -2.93 118.33 116.74 1jsa n VAL 68 Ca -0.07 0.47 0.00 0.00 -2.96 0.00 0.00 64.34 61.77 1jsa n VAL 68 Cb 0.76 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 1jsa n VAL 68 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 1jsa n PHE 69 N -1.20 0.00 0.31 1.45 7.35 -1.14 -3.05 117.46 121.19 1jsa n PHE 69 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 1jsa n PHE 69 Cb 0.25 0.00 0.24 0.00 0.35 0.00 0.00 39.48 40.32 1jsa n PHE 69 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jsa h ARG 70 N 0.00 0.00 -0.93 -4.13 2.47 -1.77 0.50 114.38 110.52 1jsa h ARG 70 Ca 0.00 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.84 1jsa h ARG 70 Cb 0.00 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.23 1jsa h ARG 70 CO 0.00 0.00 0.56 1.03 0.56 0.00 0.00 179.97 182.12 1jsa h SER 71 N 0.00 0.78 -0.36 7.04 0.87 -1.56 -3.29 113.55 117.04 1jsa h SER 71 Ca 0.00 0.06 -0.24 0.00 -1.23 0.00 0.00 61.79 60.38 1jsa h SER 71 Cb 1.54 -0.09 -0.32 0.00 -0.44 0.00 0.00 62.40 63.09 1jsa h SER 71 CO 0.00 0.40 -0.86 0.33 -0.53 0.00 0.00 176.83 176.17 1jsa n PHE 72 N -4.71 0.12 -1.87 2.24 7.35 0.17 -4.60 117.46 116.17 1jsa n PHE 72 Ca 0.18 -2.10 0.03 0.00 -0.76 0.00 0.00 57.45 54.80 1jsa n PHE 72 Cb 0.37 0.35 0.04 0.00 0.35 0.00 0.00 39.48 40.58 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 -0.79 0.64 -1.81 -2.13 2.03 -0.88 -4.77 116.55 108.84 1jsa n ASP 73 Ca -0.00 -2.28 0.02 0.00 0.52 0.00 0.00 54.79 53.05 1jsa n ASP 73 Cb 0.83 -0.27 0.34 0.00 -0.72 0.00 0.00 41.12 41.30 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 -0.26 3.97 -2.67 -1.67 0.00 -1.26 -4.31 120.51 114.32 1jsa n ALA 74 Ca 0.05 -1.85 -0.42 0.00 0.00 0.00 0.00 53.44 51.22 1jsa n ALA 74 Cb 0.74 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 0.35 7.05 -4.05 0.00 6.94 -1.26 -4.77 115.26 119.52 1jsa n ASN 75 Ca 0.29 -3.52 -0.29 0.00 -0.02 0.00 0.00 54.58 51.04 1jsa n ASN 75 Cb 1.17 -1.24 -0.04 0.00 -2.36 0.00 0.00 39.78 37.32 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1jsa n SER 76 N 0.73 -0.57 -3.33 0.53 7.64 -1.26 -4.92 113.62 112.44 1jsa n SER 76 Ca 0.42 -1.11 -0.13 0.00 1.01 0.00 0.00 58.87 59.06 1jsa n SER 76 Cb 0.28 -2.56 -0.06 0.00 -1.01 0.00 0.00 64.21 60.86 1jsa n SER 76 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1jsa s ASP 77 N -4.25 0.66 0.00 6.43 2.15 -1.26 -4.96 116.67 115.43 1jsa s ASP 77 Ca 0.07 -1.34 0.00 0.00 0.43 0.00 0.00 52.55 51.71 1jsa s ASP 77 Cb -0.03 0.84 0.00 0.00 -0.30 0.00 0.00 42.92 43.43 1jsa s ASP 77 CO 0.92 -0.25 0.33 0.61 -0.17 0.00 0.00 175.17 176.61 1jsa n GLY 78 N 4.37 0.00 3.13 2.66 0.00 -1.26 -4.49 105.19 109.60 1jsa n GLY 78 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.67 0.19 -0.18 2.61 -4.23 -1.26 -4.92 115.64 106.18 1jsa s THR 79 Ca 0.00 -1.64 -0.14 0.00 -1.18 0.00 0.00 61.69 58.73 1jsa s THR 79 Cb 0.00 -1.50 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 1jsa s THR 79 CO 0.00 -0.87 0.28 -0.76 -0.54 0.00 0.00 174.62 172.73 1jsa s LEU 80 N -2.91 4.21 0.24 4.79 1.43 -0.55 -4.91 118.68 120.98 1jsa s LEU 80 Ca 0.07 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1jsa s LEU 80 Cb 0.07 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1jsa s LEU 80 CO -0.10 0.07 0.45 -0.62 0.23 0.00 0.00 176.35 176.39 1jsa s ASP 81 N 0.63 6.40 0.31 2.29 -1.08 -1.26 -1.74 116.67 122.22 1jsa s ASP 81 Ca 0.15 0.50 0.06 0.00 -0.52 0.00 0.00 52.55 52.75 1jsa s ASP 81 Cb -0.13 -2.05 0.84 0.00 -1.46 0.00 0.00 42.92 40.11 1jsa s ASP 81 CO 0.04 -0.10 1.65 0.15 0.52 0.00 0.00 175.17 177.43 1jsa h PHE 82 N 1.83 0.56 -0.00 -5.34 3.57 -1.98 0.29 116.94 115.87 1jsa h PHE 82 Ca -0.48 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.10 1jsa h PHE 82 Cb 1.19 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.78 1jsa h PHE 82 CO 0.56 -0.19 -0.35 -0.22 -2.23 0.00 0.00 178.31 175.88 1jsa h LYS 83 N 0.26 -0.48 -0.45 1.11 3.11 -1.96 -0.39 116.57 117.76 1jsa h LYS 83 Ca 0.61 0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 58.45 1jsa h LYS 83 Cb 1.30 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 32.62 1jsa h LYS 83 CO -0.64 -0.32 0.12 0.93 -2.81 0.00 0.00 179.45 176.74 1jsa h GLU 84 N -0.50 0.71 -0.72 1.90 5.08 -1.28 -2.84 114.58 116.93 1jsa h GLU 84 Ca 0.06 -0.16 0.16 0.00 -1.00 0.00 0.00 59.36 58.41 1jsa h GLU 84 Cb 0.59 -0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.61 1jsa h GLU 84 CO -0.28 0.70 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.47 1jsa h TYR 85 N 0.59 -0.12 0.19 4.33 3.20 0.12 -0.23 116.97 125.06 1jsa h TYR 85 Ca 0.14 0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1jsa h TYR 85 Cb 0.30 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1jsa h TYR 85 CO 0.02 -0.24 -0.32 0.28 -1.64 0.00 0.00 178.16 176.26 1jsa h VAL 86 N 0.08 0.33 -1.14 1.81 2.07 -0.85 0.19 116.25 118.74 1jsa h VAL 86 Ca 0.38 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.24 1jsa h VAL 86 Cb 0.65 0.33 -0.12 0.00 -1.52 0.00 0.00 31.29 30.64 1jsa h VAL 86 CO -0.66 0.00 0.72 0.40 0.02 0.00 0.00 177.57 178.06 1jsa h ILE 87 N -0.58 0.33 0.07 4.57 1.08 -0.97 0.19 117.51 122.19 1jsa h ILE 87 Ca 0.01 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1jsa h ILE 87 Cb 0.58 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 1jsa h ILE 87 CO -0.14 0.05 -0.03 0.00 -0.69 0.00 0.00 178.15 177.34 1jsa h ALA 88 N 1.65 -0.12 -0.79 1.87 0.00 -0.46 -2.68 119.26 118.72 1jsa h ALA 88 Ca 0.70 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.82 1jsa h ALA 88 Cb 1.95 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 1jsa h ALA 88 CO -0.39 -0.11 0.89 -0.07 0.00 0.00 0.00 179.25 179.56 1jsa h LEU 89 N -0.75 0.00 0.04 0.00 -0.00 -0.05 0.15 115.31 114.71 1jsa h LEU 89 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1jsa h LEU 89 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1jsa h LEU 89 CO 0.02 0.00 -0.02 0.45 -0.00 0.00 0.00 178.44 178.89 1jsa h HIS 90 N 0.00 -0.05 -0.87 1.13 3.86 -0.70 -1.64 115.15 116.88 1jsa h HIS 90 Ca 0.38 -0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.84 1jsa h HIS 90 Cb 2.15 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 30.60 1jsa h HIS 90 CO 0.00 0.54 0.87 1.98 0.86 0.00 0.00 177.93 182.19 1jsa h MET 91 N -0.94 0.00 0.00 2.45 1.85 -0.35 2.11 114.93 120.05 1jsa h MET 91 Ca -0.01 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1jsa h MET 91 Cb 0.62 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.65 1jsa h MET 91 CO 0.01 0.00 -1.22 2.41 -0.40 0.00 0.00 176.91 177.71 1jsa n THR 92 N -3.60 0.07 -3.39 -0.77 -1.04 -1.00 -4.76 114.28 99.78 1jsa n THR 92 Ca 0.19 -0.21 -0.19 0.00 -2.04 0.00 0.00 64.05 61.80 1jsa n THR 92 Cb 1.16 0.45 -0.09 0.00 -1.82 0.00 0.00 70.33 70.03 1jsa n THR 92 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1jsa s SER 93 N -3.70 1.63 0.00 8.00 0.15 0.71 -4.90 113.70 115.59 1jsa s SER 93 Ca 0.03 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1jsa s SER 93 Cb 0.15 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1jsa s SER 93 CO 0.85 -0.32 0.00 0.00 1.20 0.00 0.00 173.24 174.97 1jsa n ALA 94 N 4.64 0.00 -2.39 5.45 0.00 -1.14 -4.44 120.51 122.64 1jsa n ALA 94 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1jsa n ALA 94 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.07 3.99 0.00 0.00 0.00 -1.26 -4.93 105.19 102.92 1jsa n GLY 95 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.00 -3.26 1.61 3.00 -1.26 -5.10 118.16 113.15 1jsa n LYS 96 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1jsa n LYS 96 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1jsa n LYS 96 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1jsa s THR 97 N -0.92 -0.75 0.00 3.15 -1.32 -1.26 -5.14 115.64 109.41 1jsa s THR 97 Ca 0.00 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1jsa s THR 97 Cb 0.00 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1jsa s THR 97 CO 0.00 -0.15 0.00 0.59 -2.21 0.00 0.00 174.62 172.85 1jsa n ASN 98 N 5.38 0.03 0.00 8.08 3.02 -1.26 -5.12 115.26 125.40 1jsa n ASN 98 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1jsa n ASN 98 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1jsa n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jsa n GLN 99 N 0.00 0.00 -0.50 3.52 6.02 -1.26 -4.59 117.38 120.56 1jsa n GLN 99 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jsa n GLN 99 Cb 0.00 -0.13 -0.00 0.00 1.02 0.00 0.00 30.24 31.13 1jsa n GLN 99 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jsa n LYS 100 N 0.00 -1.97 0.00 -1.09 5.02 -1.26 -4.76 118.16 114.10 1jsa n LYS 100 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1jsa n LYS 100 Cb 0.00 -3.72 0.00 0.00 -0.02 0.00 0.00 35.03 31.29 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1jsa n LEU 101 N -0.06 0.51 -0.42 -0.35 -0.00 -1.26 -2.86 117.00 112.56 1jsa n LEU 101 Ca -0.00 0.57 0.35 0.00 -0.00 0.00 0.00 56.01 56.93 1jsa n LEU 101 Cb 0.24 -0.34 0.63 0.00 -0.00 0.00 0.00 43.42 43.95 1jsa n LEU 101 CO 0.01 -0.34 1.22 1.05 -0.00 0.00 0.00 177.39 179.32 1jsa h GLU 102 N 0.00 0.11 0.00 1.96 -0.00 -2.00 2.20 114.58 116.85 1jsa h GLU 102 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 59.33 1jsa h GLU 102 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 28.72 1jsa h GLU 102 CO 0.00 0.07 -0.09 2.35 -0.00 0.00 0.00 179.01 181.34 1jsa h TRP 103 N 0.12 0.00 -0.37 2.06 7.01 -1.93 -2.65 115.95 120.18 1jsa h TRP 103 Ca 0.80 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.75 1jsa h TRP 103 Cb 2.43 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 29.48 1jsa h TRP 103 CO -0.01 0.09 0.02 0.00 -2.79 0.00 0.00 178.44 175.76 1jsa h ALA 104 N 1.91 0.50 -0.68 2.65 0.00 0.38 -2.65 119.26 121.38 1jsa h ALA 104 Ca -0.00 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 54.87 1jsa h ALA 104 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1jsa h ALA 104 CO 0.01 0.25 0.84 0.35 0.00 0.00 0.00 179.25 180.70 1jsa h PHE 105 N 0.47 0.00 0.15 0.00 3.57 -1.49 0.81 116.94 120.45 1jsa h PHE 105 Ca 0.11 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.30 1jsa h PHE 105 Cb 0.43 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1jsa h PHE 105 CO 0.03 0.00 -1.48 0.77 -2.23 0.00 0.00 178.31 175.40 1jsa h SER 106 N 0.00 0.50 -0.20 0.41 0.02 -1.61 -2.20 113.55 110.47 1jsa h SER 106 Ca 0.32 -0.63 -0.20 0.00 -0.84 0.00 0.00 61.79 60.44 1jsa h SER 106 Cb 1.99 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 64.38 1jsa h SER 106 CO -0.00 1.51 -0.68 0.25 -1.14 0.00 0.00 176.83 176.77 1jsa h LEU 107 N 0.09 0.93 -0.28 5.07 7.12 0.51 -3.25 115.31 125.51 1jsa h LEU 107 Ca -0.23 -0.60 -0.20 0.00 0.13 0.00 0.00 57.88 56.98 1jsa h LEU 107 Cb 2.04 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.90 1jsa h LEU 107 CO 0.19 1.37 -0.67 1.88 -0.13 0.00 0.00 178.44 181.08 1jsa h TYR 108 N 0.55 0.97 -0.61 1.25 0.05 -1.04 -3.24 116.97 114.90 1jsa h TYR 108 Ca -0.03 -0.39 -0.46 0.00 0.05 0.00 0.00 58.73 57.90 1jsa h TYR 108 Cb 1.30 -0.16 -0.11 0.00 1.01 0.00 0.00 36.73 38.77 1jsa h TYR 108 CO 0.08 1.20 0.87 -3.47 -1.05 0.00 0.00 178.16 175.80 1jsa n ASP 109 N -3.95 6.60 -0.26 3.88 2.03 -0.83 -4.62 116.55 119.41 1jsa n ASP 109 Ca -0.05 -2.89 0.33 0.00 0.52 0.00 0.00 54.79 52.70 1jsa n ASP 109 Cb 0.69 -1.35 0.73 0.00 -0.72 0.00 0.00 41.12 40.46 1jsa n ASP 109 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jsa h VAL 110 N 2.21 0.38 0.00 5.18 2.07 -1.66 1.61 116.25 126.04 1jsa h VAL 110 Ca 0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 1jsa h VAL 110 Cb 0.86 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jsa h VAL 110 CO 0.87 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.79 1jsa n ASP 111 N -4.06 0.00 -2.64 0.57 2.03 -1.26 -4.89 116.55 106.30 1jsa n ASP 111 Ca 0.23 0.29 -0.02 0.00 0.52 0.00 0.00 54.79 55.81 1jsa n ASP 111 Cb 1.17 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 1jsa n ASP 111 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jsa n GLY 112 N 0.52 -1.07 0.00 0.27 0.00 0.55 -5.05 105.19 100.41 1jsa n GLY 112 Ca 0.07 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1jsa n GLY 112 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jsa n ASN 113 N -1.17 0.00 0.00 1.61 4.05 -1.26 -5.06 115.26 113.43 1jsa n ASN 113 Ca 0.03 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.06 1jsa n ASN 113 Cb 0.45 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.46 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jsa n GLY 114 N 2.98 1.00 3.21 8.20 0.00 -1.26 -5.08 105.19 114.25 1jsa n GLY 114 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.02 0.08 2.61 -4.23 -1.26 -3.14 115.64 109.71 1jsa s THR 115 Ca 0.00 -0.13 -0.19 0.00 -1.18 0.00 0.00 61.69 60.20 1jsa s THR 115 Cb 0.00 -0.49 -0.07 0.00 1.34 0.00 0.00 72.50 73.28 1jsa s THR 115 CO 0.00 -0.07 0.56 -0.63 -0.54 0.00 0.00 174.62 173.94 1jsa s ILE 116 N -0.21 4.77 0.51 2.99 1.01 0.53 -4.86 121.20 125.94 1jsa s ILE 116 Ca -0.03 1.16 0.01 0.00 0.00 0.00 0.00 60.65 61.78 1jsa s ILE 116 Cb -0.03 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1jsa s ILE 116 CO 0.01 0.52 0.05 -0.24 0.00 0.00 0.00 174.94 175.28 1jsa n SER 117 N 1.62 3.34 -0.05 3.58 2.88 -1.26 -1.87 113.62 121.86 1jsa n SER 117 Ca -0.10 -3.19 -0.13 0.00 -1.33 0.00 0.00 58.87 54.12 1jsa n SER 117 Cb 0.51 0.31 -0.07 0.00 -0.75 0.00 0.00 64.21 64.21 1jsa n SER 117 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jsa h LYS 118 N 0.00 0.28 -0.52 -1.46 3.11 -1.98 -2.57 116.57 113.44 1jsa h LYS 118 Ca -0.41 -0.13 0.11 0.00 -2.81 0.00 0.00 60.65 57.40 1jsa h LYS 118 Cb 1.28 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.48 1jsa h LYS 118 CO 0.68 0.65 0.36 -0.97 -2.81 0.00 0.00 179.45 177.36 1jsa h ASN 119 N -0.08 0.20 0.22 4.20 -0.00 -1.99 0.87 115.58 119.00 1jsa h ASN 119 Ca 0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.32 1jsa h ASN 119 Cb 0.57 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.86 1jsa h ASN 119 CO 0.02 0.12 -0.11 -0.33 -0.00 0.00 0.00 177.43 177.14 1jsa h GLU 120 N 0.23 -0.28 0.00 6.67 5.08 -1.88 -3.06 114.58 121.33 1jsa h GLU 120 Ca 0.24 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1jsa h GLU 120 Cb 0.66 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1jsa h GLU 120 CO -0.05 0.07 0.00 0.28 -1.00 0.00 0.00 179.01 178.32 1jsa h VAL 121 N -0.93 0.00 -0.38 3.13 2.07 -1.04 -1.19 116.25 117.91 1jsa h VAL 121 Ca -0.03 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 1jsa h VAL 121 Cb 0.49 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1jsa h VAL 121 CO 0.05 0.00 -0.27 0.25 0.02 0.00 0.00 177.57 177.62 1jsa h LEU 122 N 0.00 0.80 0.04 2.57 7.12 -0.73 -2.56 115.31 122.55 1jsa h LEU 122 Ca 0.00 -0.31 -0.13 0.00 0.13 0.00 0.00 57.88 57.57 1jsa h LEU 122 Cb 0.04 -0.22 0.01 0.00 -0.53 0.00 0.00 40.66 39.96 1jsa h LEU 122 CO 0.00 1.03 -0.53 -0.33 -0.13 0.00 0.00 178.44 178.48 1jsa h GLU 123 N 0.67 0.28 -0.68 1.25 4.39 -1.23 -2.68 114.58 116.57 1jsa h GLU 123 Ca 0.08 -0.36 0.13 0.00 0.34 0.00 0.00 59.36 59.55 1jsa h GLU 123 Cb 0.79 0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 29.47 1jsa h GLU 123 CO 0.07 1.09 0.22 0.82 -1.16 0.00 0.00 179.01 180.05 1jsa h ILE 124 N -0.37 0.66 0.26 3.13 1.08 -1.52 -1.08 117.51 119.67 1jsa h ILE 124 Ca -0.08 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1jsa h ILE 124 Cb 1.31 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1jsa h ILE 124 CO 0.10 0.07 -0.13 0.58 -0.69 0.00 0.00 178.15 178.08 1jsa h VAL 125 N 0.36 0.74 -0.88 1.67 2.07 -1.54 -2.75 116.25 115.92 1jsa h VAL 125 Ca 0.37 -0.73 0.23 0.00 0.82 0.00 0.00 66.70 67.38 1jsa h VAL 125 Cb 0.55 1.11 -0.13 0.00 -1.52 0.00 0.00 31.29 31.29 1jsa h VAL 125 CO -0.40 0.14 0.30 0.74 0.02 0.00 0.00 177.57 178.38 1jsa h THR 126 N -0.77 0.38 0.98 2.57 2.02 -1.11 -1.24 112.91 115.74 1jsa h THR 126 Ca -0.04 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1jsa h THR 126 Cb 0.50 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1jsa h THR 126 CO 0.06 0.05 -0.47 0.00 0.37 0.00 0.00 175.52 175.53 1jsa h ALA 127 N 1.75 -1.32 -0.68 6.16 0.00 -1.18 -2.74 119.26 121.25 1jsa h ALA 127 Ca 0.56 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 55.30 1jsa h ALA 127 Cb 1.10 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 19.28 1jsa h ALA 127 CO -0.60 -1.24 -0.29 0.82 0.00 0.00 0.00 179.25 177.94 1jsa h ILE 128 N -1.33 0.18 -0.70 0.00 2.04 -0.97 0.18 117.51 116.92 1jsa h ILE 128 Ca -0.13 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.87 1jsa h ILE 128 Cb 1.01 0.18 -0.13 0.00 -0.74 0.00 0.00 36.82 37.14 1jsa h ILE 128 CO 0.22 0.00 -0.11 0.15 0.00 0.00 0.00 178.15 178.41 1jsa h PHE 129 N -0.09 -0.26 -0.75 1.37 3.57 -1.16 0.31 116.94 119.93 1jsa h PHE 129 Ca 0.29 0.06 0.16 0.00 3.53 0.00 0.00 57.97 62.01 1jsa h PHE 129 Cb 0.55 0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.41 1jsa h PHE 129 CO -0.65 -0.27 0.20 -0.22 -2.23 0.00 0.00 178.31 175.14 1jsa h LYS 130 N 0.03 0.28 -0.12 1.11 1.63 -0.33 0.45 116.57 119.63 1jsa h LYS 130 Ca 0.35 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.14 1jsa h LYS 130 Cb 0.56 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1jsa h LYS 130 CO -0.68 0.18 0.08 1.98 -3.45 0.00 0.00 179.45 177.56 1jsa h MET 131 N 0.29 0.12 -6.56 1.90 4.05 -0.15 -3.22 114.93 111.35 1jsa h MET 131 Ca 0.43 -0.01 -0.53 0.00 -0.28 0.00 0.00 59.70 59.31 1jsa h MET 131 Cb 0.73 -0.03 0.04 0.00 -0.80 0.00 0.00 31.60 31.54 1jsa h MET 131 CO -0.51 0.08 1.01 0.42 0.23 0.00 0.00 176.91 178.14 1jsa s ILE 132 N -5.16 2.50 0.33 1.77 1.01 0.16 -4.48 121.20 117.32 1jsa s ILE 132 Ca -0.06 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 1jsa s ILE 132 Cb 0.17 -3.13 -0.10 0.00 0.01 0.00 0.00 42.46 39.41 1jsa s ILE 132 CO 0.69 0.01 1.40 -0.55 0.00 0.00 0.00 174.94 176.48 1jsa s SER 133 N 1.87 6.61 0.42 3.58 0.15 -1.26 -4.79 113.70 120.27 1jsa s SER 133 Ca 0.75 2.80 0.16 0.00 0.70 0.00 0.00 55.95 60.37 1jsa s SER 133 Cb -0.45 -2.65 1.05 0.00 -1.71 0.00 0.00 66.02 62.26 1jsa s SER 133 CO 0.33 -0.68 1.88 -0.65 1.20 0.00 0.00 173.24 175.32 1jsa h PRO 134 N 3.66 0.42 -0.35 5.44 0.11 -1.91 0.20 132.00 139.58 1jsa h PRO 134 Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1jsa h PRO 134 Cb 1.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1jsa h PRO 134 CO 0.68 0.28 0.08 0.93 -0.21 0.00 0.00 178.00 179.75 1jsa h GLU 135 N 0.43 0.51 -0.26 1.05 4.39 -2.02 -2.24 114.58 116.44 1jsa h GLU 135 Ca 0.44 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1jsa h GLU 135 Cb 1.04 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1jsa h GLU 135 CO -0.16 0.48 0.00 -0.25 -1.16 0.00 0.00 179.01 177.92 1jsa n ASP 136 N -4.34 3.27 0.16 1.42 9.92 0.48 -4.20 116.55 123.26 1jsa n ASP 136 Ca 0.02 -1.98 0.12 0.00 -0.53 0.00 0.00 54.79 52.42 1jsa n ASP 136 Cb 0.19 -0.16 0.08 0.00 -0.64 0.00 0.00 41.12 40.58 1jsa n ASP 136 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1jsa h THR 137 N 4.44 0.01 -0.01 -3.53 2.02 -0.27 -3.01 112.91 112.57 1jsa h THR 137 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1jsa h THR 137 Cb 0.97 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1jsa h THR 137 CO 0.00 0.00 -0.32 1.17 0.37 0.00 0.00 175.52 176.74 1jsa n LYS 138 N -2.87 0.63 -0.09 6.66 4.81 -1.22 -4.02 118.16 122.06 1jsa n LYS 138 Ca 0.02 -0.38 -0.10 0.00 -0.87 0.00 0.00 58.31 56.98 1jsa n LYS 138 Cb 0.54 -1.49 -0.13 0.00 0.02 0.00 0.00 35.03 33.97 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jsa n HIS 139 N -0.86 0.00 -1.07 5.64 8.25 -1.22 -4.96 115.22 120.99 1jsa n HIS 139 Ca 0.10 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.20 1jsa n HIS 139 Cb 0.35 -0.88 0.05 0.00 1.12 0.00 0.00 29.99 30.63 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 -2.76 -3.79 -4.39 2.41 -0.00 -1.14 -4.54 117.00 102.79 1jsa n LEU 140 Ca -0.31 0.37 -0.57 0.00 -0.00 0.00 0.00 56.01 55.50 1jsa n LEU 140 Cb 1.05 -0.90 -0.10 0.00 -0.00 0.00 0.00 43.42 43.47 1jsa n LEU 140 CO 0.34 -5.04 1.67 -2.65 -0.00 0.00 0.00 177.39 171.72 1jsa n PRO 141 N 1.30 0.44 0.00 1.47 -0.02 -1.26 -4.91 135.00 132.02 1jsa n PRO 141 Ca 0.03 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1jsa n PRO 141 Cb 0.53 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1jsa n PRO 141 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jsa n GLU 142 N 7.26 1.05 0.00 -0.52 1.02 -1.26 -3.84 120.64 124.34 1jsa n GLU 142 Ca 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1jsa n GLU 142 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.48 1jsa n GLU 142 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jsa n ASP 143 N 0.00 0.00 -3.05 1.62 -0.08 -1.26 -4.58 116.55 109.20 1jsa n ASP 143 Ca 0.00 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.12 1jsa n ASP 143 Cb 0.00 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.25 1jsa n ASP 143 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jsa n GLU 144 N -1.40 0.96 0.01 -0.67 1.02 -1.25 -4.91 120.64 114.40 1jsa n GLU 144 Ca 0.00 -2.93 0.11 0.00 -0.02 0.00 0.00 57.16 54.32 1jsa n GLU 144 Cb 0.00 -1.49 0.47 0.00 -0.02 0.00 0.00 31.44 30.40 1jsa n GLU 144 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jsa n ASN 145 N 0.40 0.07 -4.49 1.62 3.02 -1.26 -4.53 115.26 110.09 1jsa n ASN 145 Ca 0.19 0.51 -0.30 0.00 -0.03 0.00 0.00 54.58 54.95 1jsa n ASN 145 Cb 0.66 -0.53 -0.12 0.00 -0.61 0.00 0.00 39.78 39.19 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jsa s THR 146 N -3.02 2.93 0.36 3.41 -4.23 -1.26 -5.01 115.64 108.81 1jsa s THR 146 Ca 0.10 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.39 1jsa s THR 146 Cb 0.14 -2.30 0.31 0.00 1.34 0.00 0.00 72.50 71.99 1jsa s THR 146 CO 0.41 0.22 1.90 -0.65 -0.54 0.00 0.00 174.62 175.96 1jsa h PRO 147 N 4.10 0.69 0.00 3.99 0.10 -1.93 0.31 132.00 139.26 1jsa h PRO 147 Ca -0.49 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.57 1jsa h PRO 147 Cb 1.16 -0.16 0.00 0.00 0.10 0.00 0.00 31.00 32.11 1jsa h PRO 147 CO 0.48 0.46 0.00 1.05 0.10 0.00 0.00 178.00 180.09 1jsa h GLU 148 N 0.71 0.00 0.12 1.05 4.11 -1.95 -2.31 114.58 116.32 1jsa h GLU 148 Ca 0.40 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.51 1jsa h GLU 148 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1jsa h GLU 148 CO -0.16 0.00 -1.61 0.87 0.07 0.00 0.00 179.01 178.18 1jsa h LYS 149 N 0.00 0.26 0.00 1.06 1.79 -0.75 -3.32 116.57 115.61 1jsa h LYS 149 Ca 0.00 -0.44 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 1jsa h LYS 149 Cb 0.45 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1jsa h LYS 149 CO 0.00 1.12 -0.31 -0.09 -1.08 0.00 0.00 179.45 179.09 1jsa h ARG 150 N 0.07 0.00 -0.04 3.15 2.43 -1.18 -2.92 114.38 115.90 1jsa h ARG 150 Ca -0.27 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1jsa h ARG 150 Cb 2.03 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1jsa h ARG 150 CO 0.15 0.31 0.65 0.00 -1.51 0.00 0.00 179.97 179.57 1jsa h ALA 151 N 1.69 1.68 0.02 2.80 0.00 -1.52 2.49 119.26 126.42 1jsa h ALA 151 Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1jsa h ALA 151 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1jsa h ALA 151 CO 0.04 -0.66 -0.95 0.93 0.00 0.00 0.00 179.25 178.61 1jsa h GLU 152 N 0.00 0.20 -0.27 0.00 5.08 -1.74 -0.33 114.58 117.52 1jsa h GLU 152 Ca 0.02 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1jsa h GLU 152 Cb 1.31 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1jsa h GLU 152 CO -0.00 1.01 0.02 -0.22 -1.00 0.00 0.00 179.01 178.82 1jsa h LYS 153 N 0.10 0.46 0.00 2.33 3.64 0.41 -0.20 116.57 123.32 1jsa h LYS 153 Ca -0.06 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1jsa h LYS 153 Cb 1.61 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1jsa h LYS 153 CO 0.15 0.60 -0.00 0.82 -2.27 0.00 0.00 179.45 178.74 1jsa h ILE 154 N 0.26 0.00 -1.04 2.00 2.04 -1.54 -1.61 117.51 117.63 1jsa h ILE 154 Ca 0.08 -0.07 0.30 0.00 1.00 0.00 0.00 64.86 66.17 1jsa h ILE 154 Cb 0.37 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 1jsa h ILE 154 CO 0.01 0.00 0.90 -0.25 0.00 0.00 0.00 178.15 178.81 1jsa h TRP 155 N -0.08 0.00 0.00 1.37 2.91 -1.20 1.45 115.95 120.40 1jsa h TRP 155 Ca -0.00 0.00 -0.21 0.00 1.13 0.00 0.00 58.89 59.81 1jsa h TRP 155 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.62 1jsa h TRP 155 CO 0.01 0.00 -1.15 0.78 -1.03 0.00 0.00 178.44 177.05 1jsa h GLY 156 N 0.00 0.00 1.18 2.65 0.00 -1.11 -2.73 103.07 103.05 1jsa h GLY 156 Ca 0.49 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.90 1jsa h GLY 156 CO -0.01 0.00 0.37 -2.75 0.00 0.00 0.00 176.54 174.15 1jsa h PHE 157 N 0.00 0.46 0.00 5.60 3.04 0.31 -3.20 116.94 123.15 1jsa h PHE 157 Ca -0.09 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.84 1jsa h PHE 157 Cb 1.76 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 40.12 1jsa h PHE 157 CO 0.00 0.24 -0.62 1.19 -2.02 0.00 0.00 178.31 177.10 1jsa n PHE 158 N -4.47 0.93 0.00 0.41 3.72 -1.14 -5.09 117.46 111.82 1jsa n PHE 158 Ca 0.08 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.89 1jsa n PHE 158 Cb 0.29 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 1jsa n PHE 158 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jsa n GLY 159 N 1.59 1.73 0.00 1.37 0.00 -1.03 -5.15 105.19 103.70 1jsa n GLY 159 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.25 0.03 0.00 1.61 4.76 -1.26 -5.07 118.16 118.48 1jsa n LYS 160 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jsa n LYS 160 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1jsa n LYS 160 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1jsa n LYS 161 N 0.00 0.00 0.00 1.97 0.00 -1.26 -5.04 118.16 113.83 1jsa n LYS 161 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1jsa n LYS 161 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jsa n ASP 162 N -0.65 0.00 -2.23 3.14 5.75 -1.26 -4.78 116.55 116.52 1jsa n ASP 162 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.71 1jsa n ASP 162 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 1jsa n ASP 162 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1jsa n ASP 163 N 0.00 2.88 -3.71 -1.12 2.03 -1.26 -4.51 116.55 110.86 1jsa n ASP 163 Ca 0.00 -2.04 -0.28 0.00 0.52 0.00 0.00 54.79 52.99 1jsa n ASP 163 Cb 0.00 -0.78 -0.10 0.00 -0.72 0.00 0.00 41.12 39.52 1jsa n ASP 163 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1jsa n ASP 164 N 2.73 3.52 -4.81 1.67 8.00 -1.26 -5.07 116.55 121.32 1jsa n ASP 164 Ca 0.24 -3.32 -0.38 0.00 0.71 0.00 0.00 54.79 52.04 1jsa n ASP 164 Cb 0.51 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.79 1jsa n ASP 164 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1jsa s LYS 165 N -1.94 4.14 0.36 -1.24 3.01 -1.26 -4.53 119.74 118.28 1jsa s LYS 165 Ca 0.32 0.64 -0.27 0.00 -1.01 0.00 0.00 55.97 55.64 1jsa s LYS 165 Cb 0.04 -3.25 -0.09 0.00 -1.01 0.00 0.00 37.83 33.52 1jsa s LYS 165 CO -0.09 0.61 1.22 -1.17 0.51 0.00 0.00 175.35 176.42 1jsa s LEU 166 N -0.94 4.33 0.35 3.17 2.96 -0.78 -4.76 118.68 123.01 1jsa s LEU 166 Ca 0.28 2.48 0.02 0.00 -0.22 0.00 0.00 54.13 56.69 1jsa s LEU 166 Cb -0.18 -3.82 -0.02 0.00 0.50 0.00 0.00 46.19 42.66 1jsa s LEU 166 CO 0.17 -0.57 0.53 -0.89 -1.32 0.00 0.00 176.35 174.27 1jsa s THR 167 N -1.27 4.79 0.10 3.68 2.01 -1.26 -0.35 115.64 123.34 1jsa s THR 167 Ca 0.52 -0.64 -0.19 0.00 0.31 0.00 0.00 61.69 61.70 1jsa s THR 167 Cb -0.35 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 1jsa s THR 167 CO 0.45 -0.42 1.63 -0.08 -0.69 0.00 0.00 174.62 175.51 1jsa h GLU 168 N 0.78 0.35 -0.51 4.92 4.81 -1.94 0.63 114.58 123.62 1jsa h GLU 168 Ca -0.49 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 58.76 1jsa h GLU 168 Cb 1.23 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 1jsa h GLU 168 CO 0.59 0.41 0.11 -0.22 -0.73 0.00 0.00 179.01 179.17 1jsa h LYS 169 N 0.22 0.24 0.08 1.92 3.64 -1.95 -2.16 116.57 118.55 1jsa h LYS 169 Ca 0.08 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.19 1jsa h LYS 169 Cb 0.19 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1jsa h LYS 169 CO -0.01 0.16 -1.15 0.93 -2.27 0.00 0.00 179.45 177.11 1jsa h GLU 170 N 0.24 0.20 -0.09 1.90 5.08 -1.95 -3.19 114.58 116.78 1jsa h GLU 170 Ca 0.26 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1jsa h GLU 170 Cb 0.35 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1jsa h GLU 170 CO -0.33 1.14 0.73 0.35 -1.00 0.00 0.00 179.01 179.90 1jsa h PHE 171 N 0.06 0.00 0.12 4.33 3.57 0.95 1.55 116.94 127.52 1jsa h PHE 171 Ca -0.09 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.05 1jsa h PHE 171 Cb 1.88 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.60 1jsa h PHE 171 CO 0.04 0.00 -1.97 -0.89 -2.23 0.00 0.00 178.31 173.27 1jsa n ILE 172 N -2.76 1.78 -0.06 1.41 5.41 -1.17 -4.11 119.36 119.86 1jsa n ILE 172 Ca 0.01 -0.67 -0.17 0.00 1.00 0.00 0.00 62.75 62.92 1jsa n ILE 172 Cb 0.77 -1.69 -0.13 0.00 -0.71 0.00 0.00 39.64 37.89 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 0.07 0.05 0.00 0.38 4.39 0.14 -2.29 114.58 117.31 1jsa h GLU 173 Ca -0.41 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1jsa h GLU 173 Cb 2.04 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1jsa h GLU 173 CO 0.09 1.04 0.74 0.78 -1.16 0.00 0.00 179.01 180.51 1jsa h GLY 174 N -0.87 0.00 0.00 -3.84 0.00 0.14 1.89 103.07 100.39 1jsa h GLY 174 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.86 1jsa h GLY 174 CO -0.02 0.00 -2.39 2.41 0.00 0.00 0.00 176.54 176.54 1jsa n THR 175 N -2.57 1.39 0.03 4.70 -1.04 -1.22 -4.37 114.28 111.21 1jsa n THR 175 Ca -0.01 -0.79 -0.04 0.00 -2.04 0.00 0.00 64.05 61.17 1jsa n THR 175 Cb 0.76 -0.64 0.20 0.00 -1.82 0.00 0.00 70.33 68.82 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1jsa h LEU 176 N 0.00 0.45 0.00 -4.42 5.85 0.35 -3.37 115.31 114.17 1jsa h LEU 176 Ca -0.55 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1jsa h LEU 176 Cb 2.17 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1jsa h LEU 176 CO 0.01 0.73 0.00 0.00 -0.34 0.00 0.00 178.44 178.84 1jsa n ALA 177 N -2.49 0.00 -2.71 1.25 0.00 0.06 -4.50 120.51 112.12 1jsa n ALA 177 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 1jsa n ALA 177 Cb 0.43 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 1jsa n ALA 177 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jsa s ASN 178 N -2.59 6.84 0.38 0.00 0.02 -1.26 -4.94 114.94 113.39 1jsa s ASN 178 Ca 0.00 1.02 0.14 0.00 -1.02 0.00 0.00 52.86 53.00 1jsa s ASN 178 Cb 0.00 -2.36 0.76 0.00 0.02 0.00 0.00 41.25 39.66 1jsa s ASN 178 CO 0.00 -0.12 1.83 0.11 0.02 0.00 0.00 177.10 178.94 1jsa h LYS 179 N 6.89 0.00 0.00 -0.60 1.79 -1.79 -2.65 116.57 120.21 1jsa h LYS 179 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1jsa h LYS 179 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1jsa h LYS 179 CO 0.76 0.36 0.41 0.39 -1.08 0.00 0.00 179.45 180.29 1jsa n GLU 180 N -4.00 0.05 0.03 3.15 1.02 -1.26 0.19 120.64 119.82 1jsa n GLU 180 Ca -0.02 0.44 -0.11 0.00 -0.02 0.00 0.00 57.16 57.46 1jsa n GLU 180 Cb 0.41 -2.06 -0.13 0.00 -0.02 0.00 0.00 31.44 29.64 1jsa n GLU 180 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1jsa h ILE 181 N 0.00 1.19 0.67 -3.67 2.04 -1.77 -3.31 117.51 112.66 1jsa h ILE 181 Ca 0.00 -2.94 -0.03 0.00 1.00 0.00 0.00 64.86 62.89 1jsa h ILE 181 Cb 0.82 2.64 0.01 0.00 -0.74 0.00 0.00 36.82 39.55 1jsa h ILE 181 CO 0.00 0.74 -0.32 0.25 0.00 0.00 0.00 178.15 178.82 1jsa h LEU 182 N 0.02 -0.77 0.00 1.44 6.46 0.19 -1.75 115.31 120.91 1jsa h LEU 182 Ca -0.19 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1jsa h LEU 182 Cb 1.94 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 42.07 1jsa h LEU 182 CO 0.12 -0.49 0.00 -2.11 -0.62 0.00 0.00 178.44 175.34 1jsa n ARG 183 N -5.44 0.17 -0.03 1.25 -4.01 -1.21 -3.21 116.66 104.18 1jsa n ARG 183 Ca -0.13 0.05 -0.02 0.00 -1.04 0.00 0.00 57.85 56.71 1jsa n ARG 183 Cb 0.38 -1.50 -0.01 0.00 -3.04 0.00 0.00 32.46 28.29 1jsa n ARG 183 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 1jsa n LEU 184 N -1.06 0.65 -2.35 2.89 -0.00 -0.70 -4.41 117.00 112.02 1jsa n LEU 184 Ca 0.04 0.33 -0.13 0.00 -0.00 0.00 0.00 56.01 56.25 1jsa n LEU 184 Cb 0.03 -0.62 -0.11 0.00 -0.00 0.00 0.00 43.42 42.72 1jsa n LEU 184 CO 0.04 -0.48 1.66 2.30 -0.00 0.00 0.00 177.39 180.91 1jsa n ILE 185 N -3.11 2.50 -3.21 1.96 -5.35 -0.92 -4.80 119.36 106.42 1jsa n ILE 185 Ca -0.03 -1.31 -0.45 0.00 -0.27 0.00 0.00 62.75 60.69 1jsa n ILE 185 Cb 0.11 -1.98 -0.06 0.00 -1.74 0.00 0.00 39.64 35.98 1jsa n ILE 185 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jsa s GLN 186 N 1.75 3.05 0.38 6.28 -1.52 -1.25 -4.91 119.66 123.44 1jsa s GLN 186 Ca 0.52 -1.26 0.05 0.00 -1.95 0.00 0.00 55.36 52.72 1jsa s GLN 186 Cb 0.22 -4.19 0.75 0.00 -0.22 0.00 0.00 33.01 29.57 1jsa s GLN 186 CO -0.01 -1.30 2.00 0.74 -0.25 0.00 0.00 175.29 176.47 1jsa h PHE 187 N 8.99 0.58 0.00 0.91 0.04 -1.94 -3.51 116.94 122.02 1jsa h PHE 187 Ca -0.29 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1jsa h PHE 187 Cb 1.10 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1jsa h PHE 187 CO 0.75 0.41 0.00 0.39 -0.60 0.00 0.00 178.31 179.26