#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa h ASN 2 N 0.00 -1.22 -4.07 1.61 7.08 -2.14 -3.48 115.58 113.36 1jsa h ASN 2 Ca 0.00 0.17 0.00 0.00 -3.08 0.00 0.00 56.30 53.39 1jsa h ASN 2 Cb 0.00 0.52 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 1jsa h ASN 2 CO 0.00 -0.39 -0.48 -0.24 -2.08 0.00 0.00 177.43 174.24 1jsa n SER 3 N -5.42 -5.21 0.00 6.14 2.88 -1.26 -5.03 113.62 105.71 1jsa n SER 3 Ca -0.03 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1jsa n SER 3 Cb 0.35 -2.04 0.00 0.00 -0.75 0.00 0.00 64.21 61.77 1jsa n SER 3 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jsa n LYS 4 N -0.66 0.00 0.00 -1.46 5.02 -1.26 -5.14 118.16 114.66 1jsa n LYS 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jsa n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1jsa n LYS 4 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jsa n SER 5 N -1.04 0.00 -1.06 4.39 7.64 -1.26 -4.98 113.62 117.31 1jsa n SER 5 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1jsa n SER 5 Cb 0.00 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.43 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 6 N 0.00 1.65 3.94 0.23 0.00 -1.26 -4.93 105.19 104.82 1jsa n GLY 6 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 0.74 -2.42 -1.00 4.61 0.00 -1.26 -4.86 120.51 116.31 1jsa n ALA 7 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1jsa n ALA 7 Cb 0.56 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1jsa n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jsa n LEU 8 N -4.58 0.00 0.00 0.00 4.77 -1.26 -3.26 117.00 112.67 1jsa n LEU 8 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1jsa n LEU 8 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1jsa n LEU 8 CO 0.73 -1.30 0.00 -0.24 -1.33 0.00 0.00 177.39 175.25 1jsa n SER 9 N -2.39 0.00 -0.08 -1.43 2.88 -1.26 -4.45 113.62 106.89 1jsa n SER 9 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1jsa n SER 9 Cb 0.00 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 1jsa n SER 9 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jsa n LYS 10 N -0.74 0.49 0.13 -1.46 5.02 -1.20 -3.80 118.16 116.60 1jsa n LYS 10 Ca 0.00 0.44 0.12 0.00 -2.02 0.00 0.00 58.31 56.84 1jsa n LYS 10 Cb 0.00 -1.62 0.14 0.00 -0.02 0.00 0.00 35.03 33.53 1jsa n LYS 10 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1jsa h GLU 11 N -1.00 0.00 0.00 1.97 5.08 -1.78 -3.24 114.58 115.61 1jsa h GLU 11 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1jsa h GLU 11 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1jsa h GLU 11 CO -0.04 0.00 -0.51 -0.89 -1.00 0.00 0.00 179.01 176.57 1jsa n ILE 12 N -2.64 0.22 0.03 3.13 5.41 -1.26 -3.27 119.36 120.97 1jsa n ILE 12 Ca 0.03 -0.16 -0.06 0.00 1.00 0.00 0.00 62.75 63.56 1jsa n ILE 12 Cb 0.51 -0.05 -0.11 0.00 -0.71 0.00 0.00 39.64 39.28 1jsa n ILE 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1jsa h LEU 13 N 0.00 0.00 -0.39 1.39 5.85 -1.65 -2.98 115.31 117.53 1jsa h LEU 13 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jsa h LEU 13 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1jsa h LEU 13 CO 0.00 0.89 0.15 -0.62 -0.34 0.00 0.00 178.44 178.52 1jsa n GLU 14 N -3.14 0.04 0.00 1.25 -0.58 -1.20 0.33 120.64 117.33 1jsa n GLU 14 Ca -0.08 0.45 0.13 0.00 -0.42 0.00 0.00 57.16 57.24 1jsa n GLU 14 Cb 0.95 -1.78 0.49 0.00 -0.57 0.00 0.00 31.44 30.53 1jsa n GLU 14 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1jsa n GLU 15 N -1.64 0.04 -0.19 3.49 1.02 -1.13 -4.27 120.64 117.96 1jsa n GLU 15 Ca -0.00 -0.01 0.17 0.00 -0.02 0.00 0.00 57.16 57.29 1jsa n GLU 15 Cb 0.16 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.36 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1jsa n LEU 16 N -1.47 0.10 0.16 -4.62 -0.00 1.00 0.23 117.00 112.39 1jsa n LEU 16 Ca 0.07 0.61 -0.14 0.00 -0.00 0.00 0.00 56.01 56.55 1jsa n LEU 16 Cb 0.33 -0.30 -0.08 0.00 -0.00 0.00 0.00 43.42 43.38 1jsa n LEU 16 CO 0.30 -0.66 0.72 -0.61 -0.00 0.00 0.00 177.39 177.14 1jsa h GLN 17 N 0.00 -0.34 -5.93 1.47 5.75 -1.81 -3.38 115.11 110.87 1jsa h GLN 17 Ca 0.37 0.02 -0.50 0.00 -0.15 0.00 0.00 58.65 58.39 1jsa h GLN 17 Cb 1.16 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 1jsa h GLN 17 CO -0.22 -0.16 1.41 -1.17 -2.65 0.00 0.00 178.83 176.05 1jsa s LEU 18 N -9.95 3.34 0.00 -2.39 2.96 0.62 -4.71 118.68 108.55 1jsa s LEU 18 Ca -0.15 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1jsa s LEU 18 Cb 0.04 -2.66 0.00 0.00 0.50 0.00 0.00 46.19 44.07 1jsa s LEU 18 CO 0.63 -2.41 0.00 -3.20 -1.32 0.00 0.00 176.35 170.05 1jsa n ASN 19 N 13.15 -1.11 -0.03 3.68 5.15 -1.26 -4.56 115.26 130.30 1jsa n ASN 19 Ca 0.24 0.08 0.05 0.00 -0.60 0.00 0.00 54.58 54.36 1jsa n ASN 19 Cb 0.52 -0.22 -0.16 0.00 -0.53 0.00 0.00 39.78 39.39 1jsa n ASN 19 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1jsa n THR 20 N -0.70 0.42 -1.72 -0.44 -1.04 -1.26 -4.82 114.28 104.72 1jsa n THR 20 Ca 0.00 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1jsa n THR 20 Cb 0.03 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 1jsa n THR 20 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1jsa n LYS 21 N -2.42 -4.52 -0.03 -2.82 4.76 -1.26 -4.79 118.16 107.08 1jsa n LYS 21 Ca -0.11 3.28 -0.01 0.00 -2.87 0.00 0.00 58.31 58.60 1jsa n LYS 21 Cb 0.73 -3.47 -0.01 0.00 -1.84 0.00 0.00 35.03 30.44 1jsa n LYS 21 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1jsa h PHE 22 N 3.27 -0.15 -0.35 2.13 3.04 -1.98 -3.43 116.94 119.47 1jsa h PHE 22 Ca 0.00 0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.20 1jsa h PHE 22 Cb 0.00 0.07 -0.22 0.00 2.56 0.00 0.00 35.95 38.36 1jsa h PHE 22 CO 0.00 -0.03 0.21 0.95 -2.02 0.00 0.00 178.31 177.42 1jsa s THR 23 N -3.20 -0.28 0.22 4.41 -4.23 -1.26 -4.98 115.64 106.31 1jsa s THR 23 Ca -0.01 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.56 1jsa s THR 23 Cb 0.01 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.91 1jsa s THR 23 CO 0.05 0.00 1.01 1.05 -0.54 0.00 0.00 174.62 176.19 1jsa h GLU 24 N 7.82 0.00 0.00 3.99 4.11 -1.94 1.57 114.58 130.13 1jsa h GLU 24 Ca -0.13 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.03 1jsa h GLU 24 Cb 1.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1jsa h GLU 24 CO -0.07 0.00 -1.62 0.93 0.07 0.00 0.00 179.01 178.32 1jsa h GLU 25 N 0.00 0.00 -0.00 1.06 5.08 -1.94 -3.34 114.58 115.44 1jsa h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jsa h GLU 25 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1jsa h GLU 25 CO 0.00 0.49 -0.43 -1.91 -1.00 0.00 0.00 179.01 176.16 1jsa n GLU 26 N -3.04 0.06 0.00 2.33 0.00 0.53 -3.53 120.64 117.00 1jsa n GLU 26 Ca -0.15 -0.03 0.14 0.00 0.00 0.00 0.00 57.16 57.12 1jsa n GLU 26 Cb 1.01 -1.50 0.66 0.00 0.00 0.00 0.00 31.44 31.62 1jsa n GLU 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1jsa n LEU 27 N -1.44 0.32 0.07 4.31 7.94 -0.78 -3.68 117.00 123.74 1jsa n LEU 27 Ca 0.06 0.08 -0.21 0.00 -1.11 0.00 0.00 56.01 54.83 1jsa n LEU 27 Cb 0.34 -0.20 -0.14 0.00 0.53 0.00 0.00 43.42 43.95 1jsa n LEU 27 CO 0.33 0.06 0.01 0.28 -1.11 0.00 0.00 177.39 176.96 1jsa h SER 28 N 0.39 0.67 0.00 1.96 0.02 -1.74 -3.14 113.55 111.71 1jsa h SER 28 Ca 0.00 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 1jsa h SER 28 Cb 0.32 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1jsa h SER 28 CO 0.00 1.48 0.00 -1.20 -1.14 0.00 0.00 176.83 175.97 1jsa n SER 29 N -3.98 0.00 -0.01 3.07 7.64 -1.24 -3.74 113.62 115.35 1jsa n SER 29 Ca -0.14 -0.87 -0.01 0.00 1.01 0.00 0.00 58.87 58.87 1jsa n SER 29 Cb 0.89 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1jsa n SER 29 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1jsa h TRP 30 N 0.00 0.00 -1.04 1.43 2.91 -1.69 -3.32 115.95 114.24 1jsa h TRP 30 Ca 0.00 0.00 0.30 0.00 1.13 0.00 0.00 58.89 60.32 1jsa h TRP 30 Cb 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.61 1jsa h TRP 30 CO 0.00 0.00 1.16 2.48 -1.03 0.00 0.00 178.44 181.05 1jsa n TYR 31 N -2.66 0.00 0.04 2.65 0.18 -1.25 -1.00 117.16 115.13 1jsa n TYR 31 Ca -0.01 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.76 1jsa n TYR 31 Cb 0.03 -0.26 -0.01 0.00 -0.38 0.00 0.00 39.34 38.72 1jsa n TYR 31 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 1jsa h GLN 32 N 0.00 -0.11 0.00 -3.48 4.20 -1.71 -2.24 115.11 111.77 1jsa h GLN 32 Ca 0.50 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.21 1jsa h GLN 32 Cb 2.81 0.02 0.00 0.00 0.30 0.00 0.00 27.48 30.61 1jsa h GLN 32 CO -0.01 -0.07 0.64 0.77 -0.67 0.00 0.00 178.83 179.49 1jsa h SER 33 N -0.26 0.00 0.48 1.46 0.02 -1.16 1.51 113.55 115.58 1jsa h SER 33 Ca -0.01 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.64 1jsa h SER 33 Cb 0.08 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.64 1jsa h SER 33 CO 0.02 0.00 -1.31 0.15 -1.14 0.00 0.00 176.83 174.55 1jsa h PHE 34 N 0.00 0.69 -0.23 3.45 3.57 -1.34 -3.14 116.94 119.94 1jsa h PHE 34 Ca 0.00 -0.49 0.07 0.00 3.53 0.00 0.00 57.97 61.07 1jsa h PHE 34 Cb 1.28 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1jsa h PHE 34 CO 0.00 1.38 0.23 -0.07 -2.23 0.00 0.00 178.31 177.62 1jsa h LEU 35 N 0.12 0.00 -0.10 0.59 3.38 0.28 0.17 115.31 119.75 1jsa h LEU 35 Ca -0.17 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.58 1jsa h LEU 35 Cb 2.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.75 1jsa h LEU 35 CO 0.23 0.00 -0.99 0.11 0.09 0.00 0.00 178.44 177.87 1jsa h LYS 36 N 0.00 0.10 0.00 1.13 1.79 -1.49 -2.23 116.57 115.88 1jsa h LYS 36 Ca 0.11 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1jsa h LYS 36 Cb 0.57 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1jsa h LYS 36 CO -0.00 1.01 0.00 0.39 -1.08 0.00 0.00 179.45 179.77 1jsa n GLU 37 N -3.50 0.47 0.00 3.15 1.02 0.56 -4.57 120.64 117.78 1jsa n GLU 37 Ca -0.03 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jsa n GLU 37 Cb 0.90 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1jsa n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsa n PRO 39 N 0.00 0.20 0.00 0.00 -0.02 -0.85 -3.61 135.00 130.72 1jsa n PRO 39 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1jsa n PRO 39 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1jsa n PRO 39 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jsa n SER 40 N 0.03 0.00 0.00 2.55 7.64 -1.26 -5.06 113.62 117.51 1jsa n SER 40 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1jsa n SER 40 Cb 0.03 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 41 N 2.42 2.89 3.93 0.23 0.00 -1.24 -5.13 105.19 108.30 1jsa n GLY 41 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 3.50 -0.10 1.61 3.00 -1.26 -4.42 118.95 121.28 1jsa s ARG 42 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 55.73 55.58 1jsa s ARG 42 Cb 0.00 -2.57 0.02 0.00 0.00 0.00 0.00 34.95 32.40 1jsa s ARG 42 CO 0.00 0.02 -0.11 0.42 0.00 0.00 0.00 175.30 175.63 1jsa s ILE 43 N -2.46 1.20 0.81 1.52 1.01 -1.23 -4.89 121.20 117.15 1jsa s ILE 43 Ca 0.43 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 1jsa s ILE 43 Cb -0.10 -1.14 0.08 0.00 0.01 0.00 0.00 42.46 41.31 1jsa s ILE 43 CO 0.39 0.38 1.16 0.42 0.00 0.00 0.00 174.94 177.29 1jsa s THR 44 N 1.16 2.26 0.08 2.92 -4.23 -1.26 -2.55 115.64 114.02 1jsa s THR 44 Ca -0.05 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 1jsa s THR 44 Cb -0.14 -3.04 -0.27 0.00 1.34 0.00 0.00 72.50 70.38 1jsa s THR 44 CO -0.03 -0.11 1.16 -0.09 -0.54 0.00 0.00 174.62 175.01 1jsa h ARG 45 N -1.06 0.23 -0.54 3.99 2.43 -2.00 -2.43 114.38 115.00 1jsa h ARG 45 Ca -0.46 -0.39 -0.11 0.00 -0.81 0.00 0.00 59.98 58.20 1jsa h ARG 45 Cb 1.32 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 1jsa h ARG 45 CO 0.65 1.18 -0.11 1.96 -1.51 0.00 0.00 179.97 182.14 1jsa h GLN 46 N 0.06 1.02 0.00 0.20 7.50 -1.99 -2.84 115.11 119.07 1jsa h GLN 46 Ca -0.11 -0.38 -0.04 0.00 0.50 0.00 0.00 58.65 58.62 1jsa h GLN 46 Cb 1.94 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 29.40 1jsa h GLN 46 CO 0.19 1.07 -0.19 1.49 -1.50 0.00 0.00 178.83 179.89 1jsa h GLU 47 N 0.91 0.00 -0.74 1.46 4.81 -1.96 -3.30 114.58 115.75 1jsa h GLU 47 Ca 0.14 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.53 1jsa h GLU 47 Cb 0.68 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.92 1jsa h GLU 47 CO 0.05 0.19 -0.09 0.35 -0.73 0.00 0.00 179.01 178.78 1jsa h PHE 48 N 0.00 -0.23 -0.82 0.92 3.57 -1.17 0.75 116.94 119.97 1jsa h PHE 48 Ca -0.00 0.06 0.19 0.00 3.53 0.00 0.00 57.97 61.75 1jsa h PHE 48 Cb 1.11 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 40.01 1jsa h PHE 48 CO 0.00 -0.28 0.55 0.37 -2.23 0.00 0.00 178.31 176.72 1jsa h GLN 49 N 0.04 0.32 0.00 1.11 4.15 -1.69 0.29 115.11 119.34 1jsa h GLN 49 Ca 0.38 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.73 1jsa h GLN 49 Cb 0.63 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1jsa h GLN 49 CO -0.71 0.21 -0.25 1.15 -1.93 0.00 0.00 178.83 177.30 1jsa h THR 50 N 0.33 1.04 0.12 2.39 2.02 0.33 -1.22 112.91 117.92 1jsa h THR 50 Ca 0.41 -0.89 -0.28 0.00 0.77 0.00 0.00 66.41 66.42 1jsa h THR 50 Cb 1.10 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1jsa h THR 50 CO -0.12 0.24 -1.41 0.40 0.37 0.00 0.00 175.52 175.00 1jsa h ILE 51 N 0.00 1.05 0.00 3.11 2.04 -0.29 -3.31 117.51 120.11 1jsa h ILE 51 Ca -0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1jsa h ILE 51 Cb 0.48 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1jsa h ILE 51 CO 0.03 0.72 0.00 0.00 0.00 0.00 0.00 178.15 178.90 1jsa n TYR 52 N -3.90 0.40 0.27 1.37 9.36 -0.34 -1.94 117.16 122.39 1jsa n TYR 52 Ca -0.24 0.16 0.12 0.00 3.32 0.00 0.00 57.90 61.26 1jsa n TYR 52 Cb 0.91 -0.76 0.15 0.00 -0.63 0.00 0.00 39.34 39.02 1jsa n TYR 52 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1jsa h SER 53 N 0.00 0.00 0.27 2.98 4.64 -1.30 -3.22 113.55 116.92 1jsa h SER 53 Ca 0.00 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1jsa h SER 53 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1jsa h SER 53 CO 0.00 0.01 -0.20 0.11 -0.87 0.00 0.00 176.83 175.88 1jsa h LYS 54 N 0.00 0.00 0.00 4.77 1.57 -1.50 0.20 116.57 121.61 1jsa h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jsa h LYS 54 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1jsa h LYS 54 CO 0.00 0.20 -1.34 1.19 -0.57 0.00 0.00 179.45 178.93 1jsa n PHE 55 N -4.09 0.44 -2.98 -1.35 3.01 -1.23 -4.53 117.46 106.73 1jsa n PHE 55 Ca -0.02 0.13 -0.14 0.00 1.01 0.00 0.00 57.45 58.43 1jsa n PHE 55 Cb 0.27 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 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 -2.33 0.25 1.15 1.38 3.72 -0.92 -4.90 117.46 115.80 1jsa n PHE 56 Ca -0.01 -3.34 0.05 0.00 -0.05 0.00 0.00 57.45 54.11 1jsa n PHE 56 Cb 0.52 -0.23 0.32 0.00 -0.94 0.00 0.00 39.48 39.15 1jsa n PHE 56 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1jsa n PRO 57 N 0.15 0.57 -0.07 -1.08 -0.04 0.65 -3.42 135.00 131.77 1jsa n PRO 57 Ca 0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1jsa n PRO 57 Cb 0.72 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.81 1jsa n PRO 57 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1jsa h GLU 58 N 0.00 0.00 0.00 0.54 4.11 -1.91 -3.48 114.58 113.85 1jsa h GLU 58 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jsa h GLU 58 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jsa h GLU 58 CO 0.00 0.54 0.00 0.00 0.07 0.00 0.00 179.01 179.62 1jsa n ALA 59 N -2.84 0.00 -3.21 1.06 0.00 -1.22 -4.96 120.51 109.34 1jsa n ALA 59 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1jsa n ALA 59 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 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 0.75 -1.09 0.00 8.00 -1.25 -4.94 116.55 118.01 1jsa n ASP 60 Ca 0.00 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.65 1jsa n ASP 60 Cb 0.00 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jsa n PRO 61 N 1.11 0.23 -0.25 -0.24 -0.04 -1.26 -3.88 135.00 130.67 1jsa n PRO 61 Ca 0.23 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1jsa n PRO 61 Cb 0.54 -1.38 0.05 0.00 -0.04 0.00 0.00 33.50 32.66 1jsa n PRO 61 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1jsa h LYS 62 N 1.72 1.08 0.00 0.54 3.64 -1.94 1.12 116.57 122.73 1jsa h LYS 62 Ca 0.00 -0.21 -0.18 0.00 -1.27 0.00 0.00 60.65 58.98 1jsa h LYS 62 Cb 0.23 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1jsa h LYS 62 CO 0.00 0.91 -0.87 0.00 -2.27 0.00 0.00 179.45 177.21 1jsa h ALA 63 N 1.12 0.46 0.00 5.00 0.00 -1.90 -3.09 119.26 120.86 1jsa h ALA 63 Ca 0.23 -0.80 -0.19 0.00 0.00 0.00 0.00 54.91 54.15 1jsa h ALA 63 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1jsa h ALA 63 CO -0.01 1.09 -1.19 -0.92 0.00 0.00 0.00 179.25 178.22 1jsa h TYR 64 N 0.00 0.00 0.00 0.00 5.03 -1.72 -3.18 116.97 117.10 1jsa h TYR 64 Ca -0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1jsa h TYR 64 Cb 1.64 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.92 1jsa h TYR 64 CO 0.00 0.77 0.00 0.00 -1.32 0.00 0.00 178.16 177.61 1jsa h ALA 65 N 1.23 1.00 0.00 1.82 0.00 0.12 -3.12 119.26 120.32 1jsa h ALA 65 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jsa h ALA 65 Cb 1.69 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1jsa h ALA 65 CO 0.08 0.00 -1.06 1.04 0.00 0.00 0.00 179.25 179.31 1jsa n GLN 66 N -3.09 0.61 0.06 0.00 6.02 -1.17 -3.98 117.38 115.83 1jsa n GLN 66 Ca 0.03 0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 57.02 1jsa n GLN 66 Cb 0.47 -1.82 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 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 0.60 0.00 1.08 3.86 -1.52 -2.97 115.15 116.20 1jsa h HIS 67 Ca -0.01 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 1jsa h HIS 67 Cb 1.04 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.43 1jsa h HIS 67 CO 0.00 1.11 0.00 0.28 0.86 0.00 0.00 177.93 180.18 1jsa n VAL 68 N -3.78 1.48 0.00 2.45 0.31 -1.21 -2.93 118.33 114.65 1jsa n VAL 68 Ca -0.06 0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1jsa n VAL 68 Cb 0.79 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 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 -1.48 0.00 0.03 3.52 7.35 -1.12 -3.71 117.46 122.06 1jsa n PHE 69 Ca 0.02 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.90 1jsa n PHE 69 Cb 0.07 -0.00 0.50 0.00 0.35 0.00 0.00 39.48 40.40 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 -0.39 -4.13 9.65 -1.72 1.00 114.38 118.79 1jsa h ARG 70 Ca 0.00 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.98 1jsa h ARG 70 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1jsa h ARG 70 CO 0.00 0.00 0.28 1.03 2.80 0.00 0.00 179.97 184.08 1jsa h SER 71 N 0.00 0.06 0.00 -3.80 0.87 -1.61 -3.36 113.55 105.72 1jsa h SER 71 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1jsa h SER 71 Cb 1.97 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.92 1jsa h SER 71 CO -0.00 0.04 0.00 2.22 -0.53 0.00 0.00 176.83 178.55 1jsa n PHE 72 N -4.44 0.00 0.21 2.24 -1.74 0.29 -4.41 117.46 109.62 1jsa n PHE 72 Ca 0.06 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.96 1jsa n PHE 72 Cb 0.42 0.00 0.15 0.00 1.52 0.00 0.00 39.48 41.57 1jsa n PHE 72 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1jsa n ASP 73 N 0.00 2.99 -1.26 5.98 2.03 0.20 -3.80 116.55 122.68 1jsa n ASP 73 Ca 0.00 -2.42 0.08 0.00 0.52 0.00 0.00 54.79 52.97 1jsa n ASP 73 Cb 0.00 -0.59 0.28 0.00 -0.72 0.00 0.00 41.12 40.09 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 0.19 2.86 -1.09 -1.67 0.00 -1.26 -4.04 120.51 115.51 1jsa n ALA 74 Ca 0.13 -1.19 -0.22 0.00 0.00 0.00 0.00 53.44 52.17 1jsa n ALA 74 Cb 0.69 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 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 0.91 6.41 -3.88 0.00 0.23 -1.25 -4.70 115.26 112.97 1jsa n ASN 75 Ca 0.20 -2.49 -0.33 0.00 -0.53 0.00 0.00 54.58 51.43 1jsa n ASN 75 Cb 0.68 -1.44 0.01 0.00 -2.08 0.00 0.00 39.78 36.95 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1jsa n SER 76 N 2.94 -4.67 0.01 0.53 3.41 -1.26 -4.83 113.62 109.75 1jsa n SER 76 Ca 0.55 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1jsa n SER 76 Cb 0.63 -1.83 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 1jsa n SER 76 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jsa n ASP 77 N -2.42 -0.03 0.00 4.04 -0.08 -1.26 -5.02 116.55 111.78 1jsa n ASP 77 Ca -0.22 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1jsa n ASP 77 Cb 0.63 0.14 0.00 0.00 2.34 0.00 0.00 41.12 44.23 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 0.87 2.20 3.17 0.27 0.00 -1.26 -4.98 105.19 105.46 1jsa n GLY 78 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.40 0.16 0.76 2.61 -4.23 -1.26 -4.71 115.64 106.57 1jsa s THR 79 Ca 0.00 -1.37 -0.05 0.00 -1.18 0.00 0.00 61.69 59.08 1jsa s THR 79 Cb 0.00 -1.40 0.12 0.00 1.34 0.00 0.00 72.50 72.56 1jsa s THR 79 CO 0.00 -0.75 1.06 -0.76 -0.54 0.00 0.00 174.62 173.63 1jsa s LEU 80 N -2.88 2.90 0.10 4.79 1.43 -1.06 -4.83 118.68 119.13 1jsa s LEU 80 Ca 0.06 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.07 1jsa s LEU 80 Cb 0.06 -2.37 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 1jsa s LEU 80 CO -0.10 -1.95 0.19 1.51 0.23 0.00 0.00 176.35 176.23 1jsa s ASP 81 N -4.70 0.12 0.22 2.29 1.47 -1.26 -3.54 116.67 111.27 1jsa s ASP 81 Ca 0.66 -0.69 -0.17 0.00 1.18 0.00 0.00 52.55 53.53 1jsa s ASP 81 Cb -0.07 0.35 0.24 0.00 -0.34 0.00 0.00 42.92 43.10 1jsa s ASP 81 CO 0.46 -0.74 1.57 2.19 0.68 0.00 0.00 175.17 179.32 1jsa h PHE 82 N 2.74 -0.91 0.00 2.11 -5.15 -1.99 1.65 116.94 115.39 1jsa h PHE 82 Ca -0.34 0.09 0.00 0.00 -0.20 0.00 0.00 57.97 57.52 1jsa h PHE 82 Cb 1.20 0.53 0.00 0.00 0.22 0.00 0.00 35.95 37.90 1jsa h PHE 82 CO 0.42 -0.39 0.00 -0.22 -2.00 0.00 0.00 178.31 176.12 1jsa h LYS 83 N -0.05 0.00 0.07 6.09 3.64 -1.96 -2.37 116.57 121.98 1jsa h LYS 83 Ca 0.33 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.38 1jsa h LYS 83 Cb 0.59 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1jsa h LYS 83 CO -0.88 0.00 -1.80 0.93 -2.27 0.00 0.00 179.45 175.43 1jsa h GLU 84 N 0.00 0.15 -0.41 1.90 5.08 0.14 -3.35 114.58 118.09 1jsa h GLU 84 Ca 0.00 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1jsa h GLU 84 Cb 0.33 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1jsa h GLU 84 CO 0.00 0.89 0.13 -0.92 -1.00 0.00 0.00 179.01 178.11 1jsa h TYR 85 N 0.04 0.65 -0.35 4.33 3.20 0.20 -2.13 116.97 122.91 1jsa h TYR 85 Ca -0.34 -0.06 0.10 0.00 3.14 0.00 0.00 58.73 61.57 1jsa h TYR 85 Cb 2.02 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 40.09 1jsa h TYR 85 CO 0.04 0.60 0.30 -0.24 -1.64 0.00 0.00 178.16 177.22 1jsa h VAL 86 N 0.51 0.60 0.23 1.81 3.04 -1.60 -1.06 116.25 119.79 1jsa h VAL 86 Ca 0.13 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.81 1jsa h VAL 86 Cb 0.25 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 1jsa h VAL 86 CO -0.01 0.00 -0.11 0.40 -1.01 0.00 0.00 177.57 176.84 1jsa h ILE 87 N 0.00 0.00 -0.29 3.17 1.08 -1.52 -2.66 117.51 117.29 1jsa h ILE 87 Ca 0.17 -0.67 0.06 0.00 -0.39 0.00 0.00 64.86 64.03 1jsa h ILE 87 Cb 0.76 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.46 1jsa h ILE 87 CO -0.00 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.39 1jsa h ALA 88 N -1.19 0.19 0.37 1.87 0.00 -1.24 0.74 119.26 119.99 1jsa h ALA 88 Ca -0.03 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jsa h ALA 88 Cb 0.24 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1jsa h ALA 88 CO 0.05 -0.47 -0.37 -0.07 0.00 0.00 0.00 179.25 178.39 1jsa h LEU 89 N -0.00 -1.00 -0.84 0.00 -0.00 -1.34 -2.66 115.31 109.46 1jsa h LEU 89 Ca 0.14 0.09 -0.08 0.00 -0.00 0.00 0.00 57.88 58.03 1jsa h LEU 89 Cb 0.21 0.34 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1jsa h LEU 89 CO -0.30 -0.51 0.03 1.12 -0.00 0.00 0.00 178.44 178.78 1jsa h HIS 90 N -0.76 0.96 -0.91 1.13 2.07 -1.24 -2.81 115.15 113.58 1jsa h HIS 90 Ca -0.03 -0.14 0.23 0.00 -2.85 0.00 0.00 60.37 57.59 1jsa h HIS 90 Cb 0.69 -0.26 -0.13 0.00 2.57 0.00 0.00 27.41 30.28 1jsa h HIS 90 CO -0.21 0.85 0.41 0.52 -3.07 0.00 0.00 177.93 176.43 1jsa h MET 91 N 0.84 0.37 -0.20 5.12 2.86 0.82 0.96 114.93 125.69 1jsa h MET 91 Ca 0.16 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1jsa h MET 91 Cb 0.46 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1jsa h MET 91 CO 0.02 0.25 0.00 2.41 1.06 0.00 0.00 176.91 180.64 1jsa n THR 92 N -5.06 0.00 0.00 2.22 -1.04 -1.03 -4.68 114.28 104.70 1jsa n THR 92 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1jsa n THR 92 Cb 0.70 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1jsa n THR 92 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1jsa n SER 93 N 0.03 0.00 0.00 8.00 3.41 0.33 -4.97 113.62 120.42 1jsa n SER 93 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jsa n SER 93 Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 -3.00 0.00 0.00 7.33 0.00 -1.17 -4.63 120.51 119.04 1jsa n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jsa n ALA 94 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 0.91 -1.80 2.76 0.00 0.00 -1.26 -4.80 105.19 100.99 1jsa n GLY 95 Ca 0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1jsa n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jsa s LYS 96 N 0.00 0.98 0.03 1.61 2.20 -1.26 -5.07 119.74 118.23 1jsa s LYS 96 Ca 0.00 -1.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.14 1jsa s LYS 96 Cb 0.00 -2.24 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 1jsa s LYS 96 CO 0.00 -1.04 0.02 0.25 -0.36 0.00 0.00 175.35 174.22 1jsa n THR 97 N 4.35 0.00 -0.00 3.43 -2.24 -1.26 -5.05 114.28 113.51 1jsa n THR 97 Ca 0.02 -0.11 0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1jsa n THR 97 Cb 0.40 -0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 1jsa n THR 97 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jsa n ASN 98 N -2.02 0.49 -2.36 3.42 3.02 -1.26 -4.38 115.26 112.17 1jsa n ASN 98 Ca -0.00 0.21 -0.18 0.00 -0.03 0.00 0.00 54.58 54.58 1jsa n ASN 98 Cb 0.03 0.75 -0.13 0.00 -0.61 0.00 0.00 39.78 39.82 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 -2.71 2.30 0.00 3.52 3.00 -1.26 -2.89 117.38 119.34 1jsa n GLN 99 Ca -0.13 -1.24 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 1jsa n GLN 99 Cb 0.83 -2.18 0.00 0.00 0.00 0.00 0.00 30.24 28.90 1jsa n GLN 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1jsa n LYS 100 N 2.82 0.00 0.13 -1.09 4.81 -1.26 -3.98 118.16 119.59 1jsa n LYS 100 Ca 0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.88 1jsa n LYS 100 Cb 0.70 -0.03 -0.03 0.00 0.02 0.00 0.00 35.03 35.69 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 -0.30 -0.95 3.14 3.38 -1.81 -2.01 115.31 116.76 1jsa h LEU 101 Ca 0.00 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.27 1jsa h LEU 101 Cb 0.09 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 40.77 1jsa h LEU 101 CO 0.00 -0.11 0.40 1.05 0.09 0.00 0.00 178.44 179.87 1jsa h GLU 102 N -0.54 0.24 -0.52 1.13 4.11 -1.91 0.91 114.58 118.01 1jsa h GLU 102 Ca -0.04 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.33 1jsa h GLU 102 Cb 0.27 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1jsa h GLU 102 CO 0.06 0.16 0.12 2.35 0.07 0.00 0.00 179.01 181.77 1jsa h TRP 103 N 0.25 0.81 -0.62 2.06 2.91 -1.91 -2.23 115.95 117.21 1jsa h TRP 103 Ca 0.66 -0.07 0.06 0.00 1.13 0.00 0.00 58.89 60.66 1jsa h TRP 103 Cb 1.43 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 29.81 1jsa h TRP 103 CO -0.14 0.69 0.41 0.00 -1.03 0.00 0.00 178.44 178.37 1jsa h ALA 104 N 1.37 1.77 -0.91 2.65 0.00 0.16 -2.18 119.26 122.12 1jsa h ALA 104 Ca 0.17 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.31 1jsa h ALA 104 Cb 0.29 -0.16 -0.16 0.00 0.00 0.00 0.00 17.79 17.76 1jsa h ALA 104 CO -0.00 0.13 0.19 0.35 0.00 0.00 0.00 179.25 179.92 1jsa h PHE 105 N 0.63 0.26 -0.24 0.00 3.04 -1.07 0.21 116.94 119.77 1jsa h PHE 105 Ca 0.26 0.06 0.05 0.00 3.98 0.00 0.00 57.97 62.32 1jsa h PHE 105 Cb 0.24 0.03 -0.08 0.00 2.56 0.00 0.00 35.95 38.71 1jsa h PHE 105 CO -0.00 -0.30 -0.43 0.77 -2.02 0.00 0.00 178.31 176.33 1jsa h SER 106 N 0.13 -1.39 -0.06 0.41 0.02 -1.55 1.94 113.55 113.05 1jsa h SER 106 Ca 0.58 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.73 1jsa h SER 106 Cb 1.23 0.58 -0.00 0.00 0.14 0.00 0.00 62.40 64.34 1jsa h SER 106 CO -0.74 -0.41 0.03 0.25 -1.14 0.00 0.00 176.83 174.82 1jsa h LEU 107 N -0.43 0.08 -2.25 5.07 7.12 -0.93 -1.70 115.31 122.27 1jsa h LEU 107 Ca 0.10 -0.14 0.04 0.00 0.13 0.00 0.00 57.88 58.01 1jsa h LEU 107 Cb 0.61 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 1jsa h LEU 107 CO -0.47 0.20 0.16 0.22 -0.13 0.00 0.00 178.44 178.42 1jsa h TYR 108 N -0.05 0.00 -2.79 1.25 5.03 0.27 -2.98 116.97 117.70 1jsa h TYR 108 Ca 0.02 0.00 -0.80 0.00 2.58 0.00 0.00 58.73 60.53 1jsa h TYR 108 Cb 0.14 0.00 -0.29 0.00 1.55 0.00 0.00 36.73 38.13 1jsa h TYR 108 CO -0.03 0.00 0.75 -3.47 -1.32 0.00 0.00 178.16 174.09 1jsa n ASP 109 N -3.87 6.43 0.10 -2.11 2.03 0.65 -4.75 116.55 115.02 1jsa n ASP 109 Ca 0.01 -3.46 0.13 0.00 0.52 0.00 0.00 54.79 51.99 1jsa n ASP 109 Cb 0.28 -1.22 0.24 0.00 -0.72 0.00 0.00 41.12 39.69 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 3.26 0.01 0.00 5.18 2.07 -1.63 -0.68 116.25 124.46 1jsa h VAL 110 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1jsa h VAL 110 Cb 0.58 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1jsa h VAL 110 CO 1.29 0.00 -0.43 0.47 0.02 0.00 0.00 177.57 178.92 1jsa n ASP 111 N -2.86 1.45 0.00 0.57 8.00 -1.26 -4.96 116.55 117.49 1jsa n ASP 111 Ca 0.10 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1jsa n ASP 111 Cb 1.18 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1jsa n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jsa n GLY 112 N 1.63 1.33 1.35 0.44 0.00 -0.26 -4.99 105.19 104.69 1jsa n GLY 112 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 3.75 -0.94 1.61 2.04 -1.26 -4.76 115.26 115.70 1jsa n ASN 113 Ca 0.00 -2.42 -0.08 0.00 -0.44 0.00 0.00 54.58 51.63 1jsa n ASN 113 Cb 0.00 -0.69 -0.04 0.00 -2.53 0.00 0.00 39.78 36.53 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jsa n GLY 114 N 0.33 0.80 3.21 4.83 0.00 -1.26 -4.86 105.19 108.24 1jsa n GLY 114 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.58 -0.03 -0.16 2.61 -4.23 -1.26 -3.80 115.64 107.19 1jsa s THR 115 Ca 0.00 0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.48 1jsa s THR 115 Cb 0.00 -0.54 -0.05 0.00 1.34 0.00 0.00 72.50 73.25 1jsa s THR 115 CO 0.00 0.04 0.25 -0.63 -0.54 0.00 0.00 174.62 173.74 1jsa s ILE 116 N 1.20 5.33 0.58 2.99 1.01 0.56 -4.79 121.20 128.09 1jsa s ILE 116 Ca -0.08 0.46 0.08 0.00 0.00 0.00 0.00 60.65 61.11 1jsa s ILE 116 Cb -0.08 -3.59 0.08 0.00 0.01 0.00 0.00 42.46 38.89 1jsa s ILE 116 CO -0.10 0.41 0.70 -1.20 0.00 0.00 0.00 174.94 174.76 1jsa n SER 117 N 3.46 2.32 0.30 3.58 7.64 -1.26 -2.22 113.62 127.43 1jsa n SER 117 Ca -0.13 -2.66 -0.14 0.00 1.01 0.00 0.00 58.87 56.95 1jsa n SER 117 Cb 0.52 -0.32 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 1jsa n SER 117 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1jsa h LYS 118 N 0.00 -0.76 -0.88 1.43 1.63 -1.98 -2.84 116.57 113.16 1jsa h LYS 118 Ca -0.30 0.05 0.23 0.00 -0.85 0.00 0.00 60.65 59.79 1jsa h LYS 118 Cb 1.27 0.17 -0.15 0.00 -0.60 0.00 0.00 32.23 32.92 1jsa h LYS 118 CO 0.44 -0.46 0.13 -0.97 -3.45 0.00 0.00 179.45 175.13 1jsa h ASN 119 N -1.13 -0.22 0.51 4.20 -0.00 -1.99 -0.36 115.58 116.59 1jsa h ASN 119 Ca -0.08 0.22 -0.02 0.00 -0.00 0.00 0.00 56.30 56.43 1jsa h ASN 119 Cb 0.65 0.35 -0.02 0.00 -0.00 0.00 0.00 38.32 39.30 1jsa h ASN 119 CO 0.13 -0.23 -0.51 -0.33 -0.00 0.00 0.00 177.43 176.49 1jsa h GLU 120 N 0.12 -0.99 -0.37 6.67 5.08 -1.94 -0.57 114.58 122.59 1jsa h GLU 120 Ca 0.54 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 59.07 1jsa h GLU 120 Cb 1.08 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1jsa h GLU 120 CO -0.74 -0.66 0.39 0.28 -1.00 0.00 0.00 179.01 177.28 1jsa h VAL 121 N -1.03 0.42 -0.16 3.13 2.07 -0.88 -0.44 116.25 119.35 1jsa h VAL 121 Ca -0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1jsa h VAL 121 Cb 0.89 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1jsa h VAL 121 CO -0.06 0.00 -0.05 0.25 0.02 0.00 0.00 177.57 177.72 1jsa h LEU 122 N 0.00 0.33 0.91 2.57 6.46 0.38 -1.96 115.31 124.00 1jsa h LEU 122 Ca 0.17 -0.39 -0.04 0.00 -0.12 0.00 0.00 57.88 57.51 1jsa h LEU 122 Cb 0.95 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1jsa h LEU 122 CO -0.00 0.64 -0.44 -0.08 -0.62 0.00 0.00 178.44 177.94 1jsa h GLU 123 N 0.02 -1.17 -0.71 1.25 4.57 -0.35 -0.05 114.58 118.13 1jsa h GLU 123 Ca 0.04 0.08 0.15 0.00 -1.18 0.00 0.00 59.36 58.45 1jsa h GLU 123 Cb 0.50 0.27 -0.13 0.00 -0.16 0.00 0.00 28.75 29.23 1jsa h GLU 123 CO 0.02 -0.78 -0.08 0.82 -1.18 0.00 0.00 179.01 177.81 1jsa h ILE 124 N -1.23 0.34 -0.58 2.32 1.08 -1.54 1.78 117.51 119.68 1jsa h ILE 124 Ca -0.12 -0.02 0.05 0.00 -0.39 0.00 0.00 64.86 64.38 1jsa h ILE 124 Cb 0.93 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 34.91 1jsa h ILE 124 CO 0.20 0.01 0.31 0.58 -0.69 0.00 0.00 178.15 178.56 1jsa h VAL 125 N 0.05 0.96 -0.01 1.67 2.07 -1.09 -0.23 116.25 119.68 1jsa h VAL 125 Ca 0.37 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1jsa h VAL 125 Cb 0.61 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1jsa h VAL 125 CO -0.68 0.11 -0.01 0.74 0.02 0.00 0.00 177.57 177.75 1jsa h THR 126 N 0.58 1.41 -0.53 2.57 2.02 0.17 -2.57 112.91 116.56 1jsa h THR 126 Ca 0.26 -1.23 0.10 0.00 0.77 0.00 0.00 66.41 66.30 1jsa h THR 126 Cb 0.16 2.23 -0.11 0.00 -1.74 0.00 0.00 68.15 68.69 1jsa h THR 126 CO -0.17 0.32 -0.34 0.00 0.37 0.00 0.00 175.52 175.70 1jsa h ALA 127 N 0.49 -0.11 -0.35 6.16 0.00 0.28 0.17 119.26 125.90 1jsa h ALA 127 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1jsa h ALA 127 Cb 0.53 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1jsa h ALA 127 CO 0.00 -0.70 -0.09 0.82 0.00 0.00 0.00 179.25 179.28 1jsa h ILE 128 N -0.19 0.64 -1.09 0.00 2.04 -1.06 0.13 117.51 117.98 1jsa h ILE 128 Ca 0.21 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.37 1jsa h ILE 128 Cb 0.55 0.64 -0.11 0.00 -0.74 0.00 0.00 36.82 37.16 1jsa h ILE 128 CO -0.64 0.00 0.68 -0.26 0.00 0.00 0.00 178.15 177.93 1jsa h PHE 129 N -0.01 0.71 -0.27 1.37 -1.00 -0.28 0.49 116.94 117.95 1jsa h PHE 129 Ca 0.17 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.97 1jsa h PHE 129 Cb 0.26 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1jsa h PHE 129 CO -0.32 -0.02 0.14 -0.22 -1.61 0.00 0.00 178.31 176.27 1jsa h LYS 130 N 0.35 0.39 -0.26 1.51 1.63 0.36 -0.30 116.57 120.24 1jsa h LYS 130 Ca 0.66 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.49 1jsa h LYS 130 Cb 1.71 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.25 1jsa h LYS 130 CO -0.38 0.36 0.45 0.52 -3.45 0.00 0.00 179.45 176.95 1jsa h MET 131 N 0.31 0.00 -5.00 1.90 2.86 0.27 -3.33 114.93 111.94 1jsa h MET 131 Ca 0.09 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 57.06 1jsa h MET 131 Cb 0.10 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.58 1jsa h MET 131 CO -0.01 0.00 -0.19 0.42 1.06 0.00 0.00 176.91 178.19 1jsa s ILE 132 N -4.38 5.09 0.24 -1.22 1.01 -0.12 -4.50 121.20 117.31 1jsa s ILE 132 Ca -0.04 -0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1jsa s ILE 132 Cb 0.12 -3.96 -0.15 0.00 0.01 0.00 0.00 42.46 38.48 1jsa s ILE 132 CO 0.42 -0.28 1.01 -0.24 0.00 0.00 0.00 174.94 175.84 1jsa n SER 133 N 5.59 1.02 0.26 3.58 2.88 -1.26 -4.63 113.62 121.06 1jsa n SER 133 Ca -0.07 1.16 -0.17 0.00 -1.33 0.00 0.00 58.87 58.46 1jsa n SER 133 Cb 0.48 -1.22 -0.09 0.00 -0.75 0.00 0.00 64.21 62.63 1jsa n SER 133 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1jsa h PRO 134 N 2.35 -0.85 -1.41 -1.46 0.10 -1.88 0.21 132.00 129.05 1jsa h PRO 134 Ca -0.39 0.06 0.41 0.00 0.10 0.00 0.00 66.00 66.17 1jsa h PRO 134 Cb 1.35 0.19 -0.06 0.00 0.10 0.00 0.00 31.00 32.59 1jsa h PRO 134 CO 0.63 -0.57 1.19 0.93 0.10 0.00 0.00 178.00 180.29 1jsa h GLU 135 N -0.89 0.00 0.00 1.05 3.07 -2.00 1.93 114.58 117.75 1jsa h GLU 135 Ca -0.04 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.54 1jsa h GLU 135 Cb 0.79 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.65 1jsa h GLU 135 CO -0.08 0.00 -1.86 -3.47 -1.40 0.00 0.00 179.01 172.20 1jsa n ASP 136 N -3.72 0.59 0.00 1.42 2.03 -0.35 -3.94 116.55 112.59 1jsa n ASP 136 Ca 0.31 0.28 0.12 0.00 0.52 0.00 0.00 54.79 56.02 1jsa n ASP 136 Cb 1.63 0.35 0.53 0.00 -0.72 0.00 0.00 41.12 42.90 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 -2.91 0.30 1.58 5.18 -1.04 0.63 -2.63 114.28 115.39 1jsa n THR 137 Ca -0.20 0.07 0.15 0.00 -2.04 0.00 0.00 64.05 62.02 1jsa n THR 137 Cb 1.03 -0.65 0.66 0.00 -1.82 0.00 0.00 70.33 69.56 1jsa n THR 137 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1jsa n LYS 138 N -1.52 1.04 0.00 -2.82 4.81 0.39 -3.37 118.16 116.68 1jsa n LYS 138 Ca 0.06 -0.38 0.11 0.00 -0.87 0.00 0.00 58.31 57.23 1jsa n LYS 138 Cb 0.29 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.85 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 -0.65 0.00 -1.68 5.64 8.25 -1.08 -4.96 115.22 120.73 1jsa n HIS 139 Ca 0.18 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.20 1jsa n HIS 139 Cb 0.26 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 1jsa n HIS 139 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jsa n LEU 140 N -0.65 3.33 -4.66 2.41 7.99 -1.22 -4.91 117.00 119.29 1jsa n LEU 140 Ca 0.08 1.17 -0.34 0.00 -0.01 0.00 0.00 56.01 56.91 1jsa n LEU 140 Cb 0.41 -1.46 0.12 0.00 -0.11 0.00 0.00 43.42 42.38 1jsa n LEU 140 CO 0.33 -0.47 0.68 -0.81 -1.51 0.00 0.00 177.39 175.62 1jsa n PRO 141 N 1.39 0.24 -2.00 3.23 -0.04 -1.26 -4.70 135.00 131.86 1jsa n PRO 141 Ca 0.08 0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 63.32 1jsa n PRO 141 Cb 0.34 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1jsa n PRO 141 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jsa s GLU 142 N -3.93 2.58 0.00 0.54 2.02 -1.26 -3.23 118.70 115.41 1jsa s GLU 142 Ca 0.73 0.66 0.00 0.00 0.02 0.00 0.00 54.97 56.38 1jsa s GLU 142 Cb -0.30 -4.42 0.00 0.00 0.10 0.00 0.00 34.13 29.51 1jsa s GLU 142 CO 0.51 -2.80 0.00 -0.40 0.02 0.00 0.00 175.26 172.60 1jsa n ASP 143 N 13.06 0.00 -2.34 -0.19 5.68 -1.26 -4.99 116.55 126.51 1jsa n ASP 143 Ca 0.22 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.49 1jsa n ASP 143 Cb 0.52 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.50 1jsa n ASP 143 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1jsa n GLU 144 N 0.00 0.17 -0.20 0.11 -0.00 -1.20 -4.82 120.64 114.70 1jsa n GLU 144 Ca 0.00 -0.52 0.10 0.00 -0.00 0.00 0.00 57.16 56.74 1jsa n GLU 144 Cb 0.00 0.02 0.26 0.00 -0.00 0.00 0.00 31.44 31.72 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1jsa n ASN 145 N -0.42 2.64 -3.93 -1.84 6.94 -1.25 -4.83 115.26 112.58 1jsa n ASN 145 Ca -0.20 -1.93 -0.09 0.00 -0.02 0.00 0.00 54.58 52.34 1jsa n ASN 145 Cb 0.61 -0.26 -0.09 0.00 -2.36 0.00 0.00 39.78 37.68 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1jsa s THR 146 N -1.47 0.14 0.13 5.53 -4.23 -1.26 -4.89 115.64 109.58 1jsa s THR 146 Ca 0.35 -1.12 -0.19 0.00 -1.18 0.00 0.00 61.69 59.55 1jsa s THR 146 Cb 0.19 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 1jsa s THR 146 CO 0.26 -0.62 1.73 1.55 -0.54 0.00 0.00 174.62 177.01 1jsa h PRO 147 N 3.61 0.12 0.00 3.99 0.13 -1.91 0.25 132.00 138.19 1jsa h PRO 147 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1jsa h PRO 147 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jsa h PRO 147 CO 0.51 0.08 0.00 1.49 -0.23 0.00 0.00 178.00 179.85 1jsa h GLU 148 N 0.13 0.00 0.24 0.86 4.81 -1.96 0.89 114.58 119.53 1jsa h GLU 148 Ca 0.10 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.00 1jsa h GLU 148 Cb 0.10 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.51 1jsa h GLU 148 CO -0.14 0.00 -1.49 -0.22 -0.73 0.00 0.00 179.01 176.44 1jsa h LYS 149 N 0.00 0.50 0.14 1.92 1.63 -1.37 -3.34 116.57 116.04 1jsa h LYS 149 Ca 0.00 -0.85 -0.33 0.00 -0.85 0.00 0.00 60.65 58.62 1jsa h LYS 149 Cb 0.21 0.32 -0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1jsa h LYS 149 CO 0.00 1.40 -1.70 0.00 -3.45 0.00 0.00 179.45 175.70 1jsa h ARG 150 N 0.14 0.30 -1.24 1.90 3.08 -0.84 -3.30 114.38 114.42 1jsa h ARG 150 Ca -0.25 -0.51 0.37 0.00 0.07 0.00 0.00 59.98 59.66 1jsa h ARG 150 Cb 2.15 0.19 -0.11 0.00 0.08 0.00 0.00 29.97 32.28 1jsa h ARG 150 CO 0.26 1.17 0.81 0.00 -1.07 0.00 0.00 179.97 181.15 1jsa h ALA 151 N 0.31 2.65 0.00 0.04 0.00 -0.99 2.29 119.26 123.56 1jsa h ALA 151 Ca -0.31 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1jsa h ALA 151 Cb 2.05 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1jsa h ALA 151 CO 0.15 -1.17 -0.45 1.49 0.00 0.00 0.00 179.25 179.28 1jsa h GLU 152 N 0.18 0.00 0.08 0.00 4.81 -1.68 -2.60 114.58 115.37 1jsa h GLU 152 Ca 0.72 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.95 1jsa h GLU 152 Cb 2.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.60 1jsa h GLU 152 CO -0.32 0.45 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.15 1jsa h LYS 153 N 0.00 -0.11 0.83 1.92 1.63 0.37 -1.91 116.57 119.30 1jsa h LYS 153 Ca -0.00 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1jsa h LYS 153 Cb 1.31 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.98 1jsa h LYS 153 CO 0.06 0.43 -0.40 0.82 -3.45 0.00 0.00 179.45 176.90 1jsa h ILE 154 N -0.88 0.18 -0.72 2.00 2.04 -1.03 0.51 117.51 119.61 1jsa h ILE 154 Ca -0.01 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 65.97 1jsa h ILE 154 Cb 0.58 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 1jsa h ILE 154 CO 0.02 0.00 0.28 -0.25 0.00 0.00 0.00 178.15 178.20 1jsa h TRP 155 N -1.13 0.48 0.00 1.37 2.91 -1.61 0.35 115.95 118.32 1jsa h TRP 155 Ca -0.11 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.88 1jsa h TRP 155 Cb 0.86 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 1jsa h TRP 155 CO -0.01 0.07 -0.27 0.78 -1.03 0.00 0.00 178.44 177.97 1jsa h GLY 156 N 0.43 0.00 1.48 2.65 0.00 -1.09 -2.75 103.07 103.80 1jsa h GLY 156 Ca 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.64 1jsa h GLY 156 CO -0.39 0.00 -0.13 -2.75 0.00 0.00 0.00 176.54 173.27 1jsa h PHE 157 N 0.00 0.67 0.04 5.60 3.04 0.41 -2.92 116.94 123.78 1jsa h PHE 157 Ca -0.00 -0.12 -0.23 0.00 3.98 0.00 0.00 57.97 61.60 1jsa h PHE 157 Cb 0.69 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1jsa h PHE 157 CO 0.00 0.72 -1.01 0.74 -2.02 0.00 0.00 178.31 176.74 1jsa h PHE 158 N 0.56 0.52 -3.61 0.41 0.04 -1.13 -3.50 116.94 110.24 1jsa h PHE 158 Ca 0.10 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1jsa h PHE 158 Cb 0.55 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1jsa h PHE 158 CO 0.02 1.16 -0.40 0.41 -0.60 0.00 0.00 178.31 178.90 1jsa n GLY 159 N 1.10 -3.48 3.94 -1.45 0.00 -1.06 -5.04 105.19 99.20 1jsa n GLY 159 Ca -0.07 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1jsa n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jsa s LYS 160 N -0.71 3.29 0.00 1.61 -0.14 -1.26 -5.07 119.74 117.46 1jsa s LYS 160 Ca -0.05 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 1jsa s LYS 160 Cb 0.00 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.60 1jsa s LYS 160 CO 0.24 -0.13 0.00 0.36 -0.76 0.00 0.00 175.35 175.06 1jsa n LYS 161 N -2.03 0.00 -0.33 1.68 0.00 -1.26 -4.98 118.16 111.24 1jsa n LYS 161 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.47 1jsa n LYS 161 Cb 0.57 0.00 0.37 0.00 -0.00 0.00 0.00 35.03 35.96 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1jsa h ASP 162 N 0.00 0.58 -2.44 -5.58 3.32 -2.03 -2.08 116.42 108.19 1jsa h ASP 162 Ca 0.00 0.14 -0.79 0.00 0.02 0.00 0.00 57.03 56.40 1jsa h ASP 162 Cb 0.00 0.06 -0.24 0.00 0.22 0.00 0.00 39.33 39.37 1jsa h ASP 162 CO 0.00 0.07 1.16 -0.67 -1.72 0.00 0.00 179.24 178.08 1jsa n ASP 163 N -4.93 6.15 -0.87 6.45 2.03 -1.26 -4.83 116.55 119.28 1jsa n ASP 163 Ca 0.26 -3.34 0.00 0.00 0.52 0.00 0.00 54.79 52.22 1jsa n ASP 163 Cb 0.72 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 1jsa n ASP 163 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1jsa n ASP 164 N 1.93 0.24 -3.72 1.67 5.75 -0.79 -4.43 116.55 117.21 1jsa n ASP 164 Ca 0.31 -0.19 -0.25 0.00 -0.01 0.00 0.00 54.79 54.65 1jsa n ASP 164 Cb 0.33 -0.05 -0.17 0.00 -1.03 0.00 0.00 41.12 40.20 1jsa n ASP 164 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1jsa s LYS 165 N 0.43 0.43 -0.02 0.11 3.01 -1.26 -4.81 119.74 117.63 1jsa s LYS 165 Ca 0.00 -0.05 -0.30 0.00 -1.01 0.00 0.00 55.97 54.61 1jsa s LYS 165 Cb 0.00 -1.42 -0.05 0.00 -1.01 0.00 0.00 37.83 35.35 1jsa s LYS 165 CO 0.00 -0.48 1.46 -1.17 0.51 0.00 0.00 175.35 175.67 1jsa s LEU 166 N 1.99 4.31 0.35 3.17 2.96 -0.94 -4.73 118.68 125.78 1jsa s LEU 166 Ca 0.03 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.08 1jsa s LEU 166 Cb -0.14 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1jsa s LEU 166 CO -0.06 -0.78 0.54 -0.89 -1.32 0.00 0.00 176.35 173.84 1jsa s THR 167 N 2.82 5.01 0.52 3.68 2.01 -1.26 -0.33 115.64 128.09 1jsa s THR 167 Ca 0.66 -0.53 0.34 0.00 0.31 0.00 0.00 61.69 62.47 1jsa s THR 167 Cb -0.32 -3.82 0.34 0.00 0.01 0.00 0.00 72.50 68.71 1jsa s THR 167 CO 0.27 -0.51 2.02 -0.33 -0.69 0.00 0.00 174.62 175.37 1jsa h GLU 168 N 0.76 0.00 0.00 4.92 5.08 -1.95 -0.85 114.58 122.54 1jsa h GLU 168 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1jsa h GLU 168 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1jsa h GLU 168 CO 0.61 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.79 1jsa n LYS 169 N -2.82 0.00 -0.34 2.33 4.81 -1.26 -3.93 118.16 116.95 1jsa n LYS 169 Ca -0.02 0.48 0.12 0.00 -0.87 0.00 0.00 58.31 58.01 1jsa n LYS 169 Cb 0.22 -0.98 0.32 0.00 0.02 0.00 0.00 35.03 34.61 1jsa n LYS 169 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1jsa h GLU 170 N 0.00 0.78 -1.30 1.64 4.11 -1.94 0.28 114.58 118.15 1jsa h GLU 170 Ca 0.00 -0.05 0.38 0.00 0.07 0.00 0.00 59.36 59.76 1jsa h GLU 170 Cb 0.00 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.02 1jsa h GLU 170 CO 0.00 0.51 0.94 0.35 0.07 0.00 0.00 179.01 180.89 1jsa h PHE 171 N 0.80 0.00 0.03 2.06 3.57 -1.32 1.51 116.94 123.59 1jsa h PHE 171 Ca 0.53 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.71 1jsa h PHE 171 Cb 0.77 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1jsa h PHE 171 CO -0.00 0.00 -1.83 -0.89 -2.23 0.00 0.00 178.31 173.35 1jsa n ILE 172 N -4.13 1.64 -0.06 1.41 5.41 0.94 -3.96 119.36 120.62 1jsa n ILE 172 Ca 0.28 -0.76 -0.04 0.00 1.00 0.00 0.00 62.75 63.24 1jsa n ILE 172 Cb 1.37 -1.20 -0.02 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.02 0.00 0.00 0.38 5.08 0.11 -1.24 114.58 118.94 1jsa h GLU 173 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1jsa h GLU 173 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1jsa h GLU 173 CO 0.08 0.10 0.58 0.78 -1.00 0.00 0.00 179.01 179.55 1jsa h GLY 174 N -1.00 0.00 0.00 -3.84 0.00 0.15 2.22 103.07 100.59 1jsa h GLY 174 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 1jsa h GLY 174 CO -0.01 0.00 -2.11 2.41 0.00 0.00 0.00 176.54 176.83 1jsa n THR 175 N -2.21 0.73 0.16 4.70 -1.04 -1.24 -4.50 114.28 110.87 1jsa n THR 175 Ca -0.01 -0.64 -0.14 0.00 -2.04 0.00 0.00 64.05 61.22 1jsa n THR 175 Cb 0.60 -0.28 -0.08 0.00 -1.82 0.00 0.00 70.33 68.75 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 -0.29 0.00 -4.42 5.85 0.49 -3.34 115.31 113.60 1jsa h LEU 176 Ca -0.29 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1jsa h LEU 176 Cb 1.61 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1jsa h LEU 176 CO 0.02 -0.14 0.00 0.00 -0.34 0.00 0.00 178.44 177.98 1jsa n ALA 177 N -2.29 0.00 -1.91 1.25 0.00 -1.00 -4.41 120.51 112.16 1jsa n ALA 177 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 1jsa n ALA 177 Cb 0.19 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.83 6.79 0.31 0.00 0.02 -1.25 -4.90 114.94 113.07 1jsa s ASN 178 Ca 0.00 2.55 0.23 0.00 -1.02 0.00 0.00 52.86 54.62 1jsa s ASN 178 Cb 0.00 -2.62 0.23 0.00 0.02 0.00 0.00 41.25 38.88 1jsa s ASN 178 CO 0.00 -0.59 1.37 0.11 0.02 0.00 0.00 177.10 178.02 1jsa h LYS 179 N 4.85 0.00 0.00 -0.60 6.56 -1.79 -3.25 116.57 122.33 1jsa h LYS 179 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1jsa h LYS 179 Cb 1.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1jsa h LYS 179 CO 0.75 0.00 0.00 1.49 -2.06 0.00 0.00 179.45 179.63 1jsa h GLU 180 N 0.00 0.00 0.00 3.15 4.57 -1.90 -1.98 114.58 118.42 1jsa h GLU 180 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jsa h GLU 180 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1jsa h GLU 180 CO 0.00 0.00 -0.75 -0.89 -1.18 0.00 0.00 179.01 176.19 1jsa n ILE 181 N -3.05 0.30 0.11 2.32 5.41 -1.23 -3.56 119.36 119.68 1jsa n ILE 181 Ca -0.00 -0.27 -0.20 0.00 1.00 0.00 0.00 62.75 63.28 1jsa n ILE 181 Cb 0.24 -0.04 -0.14 0.00 -0.71 0.00 0.00 39.64 39.00 1jsa n ILE 181 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1jsa h LEU 182 N 0.00 0.65 -1.14 1.39 5.85 -1.50 -3.04 115.31 117.52 1jsa h LEU 182 Ca 0.00 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1jsa h LEU 182 Cb 0.74 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1jsa h LEU 182 CO 0.00 1.50 0.00 -1.14 -0.34 0.00 0.00 178.44 178.46 1jsa n ARG 183 N -3.66 1.76 0.00 1.25 0.63 -1.19 -3.86 116.66 111.59 1jsa n ARG 183 Ca -0.12 -1.13 0.00 0.00 -0.92 0.00 0.00 57.85 55.68 1jsa n ARG 183 Cb 1.03 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 32.52 1jsa n ARG 183 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1jsa n LEU 184 N 0.35 0.00 -0.33 6.15 -0.00 -1.22 -4.65 117.00 117.30 1jsa n LEU 184 Ca 0.17 0.00 0.36 0.00 -0.00 0.00 0.00 56.01 56.53 1jsa n LEU 184 Cb 0.35 -0.11 0.75 0.00 -0.00 0.00 0.00 43.42 44.41 1jsa n LEU 184 CO 0.14 -0.17 1.33 0.16 -0.00 0.00 0.00 177.39 178.84 1jsa h ILE 185 N 0.00 0.40 -1.16 1.96 -0.00 -1.77 -3.36 117.51 113.57 1jsa h ILE 185 Ca 0.00 -0.00 -0.30 0.00 -0.00 0.00 0.00 64.86 64.56 1jsa h ILE 185 Cb 0.00 0.39 -0.00 0.00 -0.00 0.00 0.00 36.82 37.20 1jsa h ILE 185 CO 0.00 0.00 0.99 -1.58 -0.00 0.00 0.00 178.15 177.56 1jsa s GLN 186 N -4.96 2.02 -0.20 0.16 2.00 -1.25 -4.72 119.66 112.72 1jsa s GLN 186 Ca -0.05 0.87 -0.16 0.00 -2.00 0.00 0.00 55.36 54.02 1jsa s GLN 186 Cb 0.23 -4.67 -0.20 0.00 0.80 0.00 0.00 33.01 29.18 1jsa s GLN 186 CO 0.81 -3.62 0.14 1.19 -0.50 0.00 0.00 175.29 173.31 1jsa n PHE 187 N 16.34 0.88 -1.85 1.67 3.72 -1.26 -4.97 117.46 131.98 1jsa n PHE 187 Ca 0.38 0.31 0.00 0.00 -0.05 0.00 0.00 57.45 58.10 1jsa n PHE 187 Cb 0.50 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 1jsa n PHE 187 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80