#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 -4.54 1.61 3.02 -1.26 -4.35 115.26 109.74 1jsa n ASN 2 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1jsa n ASN 2 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1jsa n ASN 2 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1jsa s SER 3 N -4.00 6.32 0.38 6.41 1.04 -1.26 -4.92 113.70 117.67 1jsa s SER 3 Ca 0.00 -0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.34 1jsa s SER 3 Cb 0.00 -2.29 0.75 0.00 0.10 0.00 0.00 66.02 64.58 1jsa s SER 3 CO 0.00 -0.59 1.95 0.07 0.98 0.00 0.00 173.24 175.65 1jsa h LYS 4 N 8.60 0.45 0.00 4.02 2.10 -2.05 -3.47 116.57 126.22 1jsa h LYS 4 Ca -0.27 -0.07 0.13 0.00 -2.00 0.00 0.00 60.65 58.44 1jsa h LYS 4 Cb 1.11 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.34 1jsa h LYS 4 CO 0.82 0.43 0.34 -1.13 -2.00 0.00 0.00 179.45 177.92 1jsa n SER 5 N -4.35 -0.50 0.00 7.07 3.41 -1.26 -4.94 113.62 113.05 1jsa n SER 5 Ca 0.01 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 1jsa n SER 5 Cb 0.19 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jsa n GLY 6 N -0.36 -0.06 4.33 5.00 0.00 -1.26 -4.71 105.19 108.14 1jsa n GLY 6 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.97 -1.32 -0.60 4.61 0.00 -1.26 -4.80 120.51 116.17 1jsa n ALA 7 Ca 0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 1jsa n ALA 7 Cb 0.01 -2.89 0.16 0.00 0.00 0.00 0.00 19.45 16.73 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 -4.28 -1.79 0.00 0.00 7.99 -1.26 -2.23 117.00 115.42 1jsa n LEU 8 Ca 0.05 -0.29 0.00 0.00 -0.01 0.00 0.00 56.01 55.76 1jsa n LEU 8 Cb 0.50 -0.83 0.00 0.00 -0.11 0.00 0.00 43.42 42.98 1jsa n LEU 8 CO 0.89 -3.18 0.00 -0.24 -1.51 0.00 0.00 177.39 173.35 1jsa n SER 9 N -1.30 0.00 0.28 -1.43 2.88 -1.26 -3.83 113.62 108.96 1jsa n SER 9 Ca 0.04 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.73 1jsa n SER 9 Cb 0.49 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.75 1jsa n SER 9 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jsa h LYS 10 N 0.00 0.00 0.00 -1.46 1.79 -1.97 0.47 116.57 115.41 1jsa h LYS 10 Ca 0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1jsa h LYS 10 Cb 0.00 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 1jsa h LYS 10 CO 0.00 0.07 -1.43 1.49 -1.08 0.00 0.00 179.45 178.50 1jsa h GLU 11 N 0.00 0.00 0.04 3.15 4.57 -1.55 -3.34 114.58 117.45 1jsa h GLU 11 Ca -0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 1jsa h GLU 11 Cb 0.33 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1jsa h GLU 11 CO 0.01 0.45 -1.86 -0.89 -1.18 0.00 0.00 179.01 175.54 1jsa n ILE 12 N -3.02 1.60 -0.28 2.32 5.41 -0.89 -4.14 119.36 120.37 1jsa n ILE 12 Ca -0.11 -0.34 0.20 0.00 1.00 0.00 0.00 62.75 63.49 1jsa n ILE 12 Cb 0.93 -1.85 0.49 0.00 -0.71 0.00 0.00 39.64 38.50 1jsa n ILE 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1jsa h LEU 13 N -0.56 0.45 -0.74 1.39 3.38 -0.28 2.15 115.31 121.10 1jsa h LEU 13 Ca -0.46 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1jsa h LEU 13 Cb 1.65 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1jsa h LEU 13 CO -0.15 0.16 0.20 1.21 0.09 0.00 0.00 178.44 179.95 1jsa n GLU 14 N -4.55 0.07 0.00 1.13 4.07 -1.25 0.29 120.64 120.40 1jsa n GLU 14 Ca 0.21 0.52 0.13 0.00 -0.06 0.00 0.00 57.16 57.96 1jsa n GLU 14 Cb 0.74 -1.94 0.41 0.00 -0.06 0.00 0.00 31.44 30.58 1jsa n GLU 14 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1jsa n GLU 15 N -1.90 0.29 0.00 5.31 4.07 0.73 -4.53 120.64 124.60 1jsa n GLU 15 Ca -0.01 -0.14 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 1jsa n GLU 15 Cb 0.21 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1jsa n LEU 16 N -1.24 0.00 0.09 4.31 -0.00 0.83 0.73 117.00 121.73 1jsa n LEU 16 Ca 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.12 1jsa n LEU 16 Cb 0.33 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.86 1jsa n LEU 16 CO 0.30 0.00 0.65 0.00 -0.00 0.00 0.00 177.39 178.34 1jsa n GLN 17 N -2.88 0.03 -1.11 1.47 6.02 -1.26 -4.46 117.38 115.18 1jsa n GLN 17 Ca 0.00 0.37 -0.17 0.00 -0.01 0.00 0.00 57.00 57.19 1jsa n GLN 17 Cb 0.00 -2.01 0.12 0.00 1.02 0.00 0.00 30.24 29.37 1jsa n GLN 17 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1jsa n LEU 18 N -1.58 0.00 0.00 1.08 -0.00 0.23 -5.05 117.00 111.68 1jsa n LEU 18 Ca -0.00 -0.85 -0.24 0.00 -0.00 0.00 0.00 56.01 54.91 1jsa n LEU 18 Cb 0.41 -0.59 0.23 0.00 -0.00 0.00 0.00 43.42 43.48 1jsa n LEU 18 CO 0.02 -1.05 0.29 0.59 -0.00 0.00 0.00 177.39 177.24 1jsa n ASN 19 N -3.49 -3.63 -4.39 1.45 3.02 -1.26 -4.84 115.26 102.12 1jsa n ASN 19 Ca 0.10 -0.72 -0.40 0.00 -0.03 0.00 0.00 54.58 53.53 1jsa n ASN 19 Cb 0.34 -0.79 0.01 0.00 -0.61 0.00 0.00 39.78 38.73 1jsa n ASN 19 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1jsa n THR 20 N -5.21 1.33 1.28 3.41 -1.04 -1.26 -4.84 114.28 107.95 1jsa n THR 20 Ca 0.11 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.75 1jsa n THR 20 Cb 0.48 -0.36 0.38 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.77 1.04 -3.60 -2.82 5.02 -1.26 -4.78 118.16 112.52 1jsa n LYS 21 Ca 0.11 -0.63 -0.22 0.00 -2.02 0.00 0.00 58.31 55.55 1jsa n LYS 21 Cb 0.43 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.02 1jsa n LYS 21 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1jsa n PHE 22 N -0.43 -2.36 -2.05 2.13 -0.00 -1.26 -4.45 117.46 109.04 1jsa n PHE 22 Ca 0.13 0.94 0.00 0.00 -0.00 0.00 0.00 57.45 58.52 1jsa n PHE 22 Cb 0.36 -4.79 0.00 0.00 -0.00 0.00 0.00 39.48 35.05 1jsa n PHE 22 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1jsa n THR 23 N -4.49-13.20 0.01 -2.13 -2.24 -1.26 -4.46 114.28 86.51 1jsa n THR 23 Ca -0.16 3.28 0.04 0.00 -2.27 0.00 0.00 64.05 64.95 1jsa n THR 23 Cb 0.62 -5.52 0.43 0.00 -2.10 0.00 0.00 70.33 63.76 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 4.15 0.51 0.00 -0.78 4.11 -2.03 -0.63 114.58 119.92 1jsa h GLU 24 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1jsa h GLU 24 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1jsa h GLU 24 CO 0.00 0.34 0.23 0.39 0.07 0.00 0.00 179.01 180.04 1jsa n GLU 25 N -4.48 0.04 -0.08 1.06 1.02 -1.26 -1.51 120.64 115.42 1jsa n GLU 25 Ca 0.03 0.42 -0.11 0.00 -0.02 0.00 0.00 57.16 57.48 1jsa n GLU 25 Cb 0.06 -1.86 -0.05 0.00 -0.02 0.00 0.00 31.44 29.57 1jsa n GLU 25 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1jsa n GLU 26 N -1.62 0.49 -0.52 3.49 4.07 -0.24 -3.78 120.64 122.53 1jsa n GLU 26 Ca -0.00 0.54 0.44 0.00 -0.06 0.00 0.00 57.16 58.08 1jsa n GLU 26 Cb 0.24 -1.71 0.78 0.00 -0.06 0.00 0.00 31.44 30.70 1jsa n GLU 26 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1jsa h LEU 27 N -1.00 0.01 0.00 4.31 4.07 -1.36 0.78 115.31 122.12 1jsa h LEU 27 Ca -0.13 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1jsa h LEU 27 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1jsa h LEU 27 CO -0.08 -0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.07 1jsa n SER 28 N -4.08 0.00 0.22 -0.43 7.64 -1.14 -2.16 113.62 113.67 1jsa n SER 28 Ca 0.35 0.63 0.16 0.00 1.01 0.00 0.00 58.87 61.02 1jsa n SER 28 Cb 1.63 -0.43 0.65 0.00 -1.01 0.00 0.00 64.21 65.05 1jsa n SER 28 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1jsa h SER 29 N 0.00 0.00 0.03 6.43 0.87 -1.48 0.18 113.55 119.58 1jsa h SER 29 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1jsa h SER 29 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1jsa h SER 29 CO 0.00 0.00 -0.02 -0.25 -0.53 0.00 0.00 176.83 176.03 1jsa h TRP 30 N 0.00 -0.04 -0.32 2.24 2.91 -0.88 -0.73 115.95 119.13 1jsa h TRP 30 Ca 0.10 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.21 1jsa h TRP 30 Cb 1.17 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.82 1jsa h TRP 30 CO 0.00 0.56 0.23 -0.92 -1.03 0.00 0.00 178.44 177.29 1jsa h TYR 31 N -0.70 0.00 0.00 2.65 3.20 -0.45 -0.90 116.97 120.78 1jsa h TYR 31 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1jsa h TYR 31 Cb 0.63 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1jsa h TYR 31 CO 0.14 0.00 -0.03 1.96 -1.64 0.00 0.00 178.16 178.59 1jsa h GLN 32 N 0.00 0.00 0.00 1.82 4.20 -1.46 -2.82 115.11 116.86 1jsa h GLN 32 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1jsa h GLN 32 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1jsa h GLN 32 CO -0.00 0.00 0.61 0.77 -0.67 0.00 0.00 178.83 179.53 1jsa h SER 33 N -0.39 0.00 0.42 1.46 0.02 -1.07 1.78 113.55 115.76 1jsa h SER 33 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1jsa h SER 33 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1jsa h SER 33 CO 0.00 0.00 -1.58 0.15 -1.14 0.00 0.00 176.83 174.26 1jsa h PHE 34 N 0.00 0.45 0.00 3.45 3.57 -1.22 -2.70 116.94 120.49 1jsa h PHE 34 Ca 0.00 -0.33 -0.03 0.00 3.53 0.00 0.00 57.97 61.14 1jsa h PHE 34 Cb 1.21 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1jsa h PHE 34 CO 0.00 1.41 -0.15 -0.07 -2.23 0.00 0.00 178.31 177.27 1jsa h LEU 35 N 0.07 0.00 0.00 0.59 3.38 0.30 -1.68 115.31 117.96 1jsa h LEU 35 Ca -0.26 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 1jsa h LEU 35 Cb 2.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 1jsa h LEU 35 CO 0.16 0.15 -1.23 0.11 0.09 0.00 0.00 178.44 177.71 1jsa h LYS 36 N 0.00 0.00 -0.09 1.13 1.79 -1.49 -3.19 116.57 114.72 1jsa h LYS 36 Ca -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 1jsa h LYS 36 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1jsa h LYS 36 CO 0.02 0.41 -0.76 1.49 -1.08 0.00 0.00 179.45 179.53 1jsa h GLU 37 N 0.00 0.52 -0.63 3.15 4.57 -1.02 -3.44 114.58 117.73 1jsa h GLU 37 Ca -0.13 -0.43 0.10 0.00 -1.18 0.00 0.00 59.36 57.72 1jsa h GLU 37 Cb 1.61 0.09 -0.20 0.00 -0.16 0.00 0.00 28.75 30.09 1jsa h GLU 37 CO 0.06 1.06 -0.22 0.00 -1.18 0.00 0.00 179.01 178.73 1jsa s PRO 39 N 2.68 3.28 0.13 0.00 0.02 -1.20 -4.32 135.00 135.58 1jsa s PRO 39 Ca 0.18 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1jsa s PRO 39 Cb -0.05 -4.30 0.00 0.00 0.02 0.00 0.00 34.50 30.18 1jsa s PRO 39 CO -0.22 -1.92 0.00 0.45 -0.33 0.00 0.00 177.00 174.98 1jsa n SER 40 N 10.89 -1.16 0.00 2.53 2.88 -1.26 -5.04 113.62 122.46 1jsa n SER 40 Ca 0.27 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1jsa n SER 40 Cb 0.45 1.32 0.00 0.00 -0.75 0.00 0.00 64.21 65.23 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jsa n GLY 41 N -1.26 2.14 3.50 0.46 0.00 -1.26 -4.92 105.19 103.85 1jsa n GLY 41 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 3.21 0.11 1.61 0.52 -1.26 -3.10 118.95 120.03 1jsa s ARG 42 Ca 0.00 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.39 1jsa s ARG 42 Cb 0.00 -3.97 -0.06 0.00 0.52 0.00 0.00 34.95 31.44 1jsa s ARG 42 CO 0.00 -0.99 0.91 0.42 0.02 0.00 0.00 175.30 175.66 1jsa s ILE 43 N 2.61 4.51 0.20 1.52 1.01 0.20 -4.83 121.20 126.43 1jsa s ILE 43 Ca 0.19 1.97 -0.04 0.00 0.00 0.00 0.00 60.65 62.76 1jsa s ILE 43 Cb -0.15 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1jsa s ILE 43 CO 0.17 0.35 0.43 -0.89 0.00 0.00 0.00 174.94 175.00 1jsa s THR 44 N -0.14 5.12 0.23 2.92 2.01 -1.26 -1.07 115.64 123.45 1jsa s THR 44 Ca 0.44 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 1jsa s THR 44 Cb -0.23 -3.67 0.19 0.00 0.01 0.00 0.00 72.50 68.80 1jsa s THR 44 CO 0.28 -0.10 1.80 -0.09 -0.69 0.00 0.00 174.62 175.83 1jsa h ARG 45 N 2.36 0.70 0.00 4.92 2.43 -1.96 0.59 114.38 123.42 1jsa h ARG 45 Ca -0.47 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.62 1jsa h ARG 45 Cb 1.18 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1jsa h ARG 45 CO 0.70 0.47 -0.18 0.37 -1.51 0.00 0.00 179.97 179.81 1jsa h GLN 46 N 0.73 0.00 0.09 0.20 4.15 -2.01 -3.03 115.11 115.24 1jsa h GLN 46 Ca 0.36 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.44 1jsa h GLN 46 Cb 0.32 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1jsa h GLN 46 CO -0.24 0.18 -1.90 1.49 -1.93 0.00 0.00 178.83 176.43 1jsa h GLU 47 N 0.00 0.19 -1.25 1.69 4.81 -1.36 -3.36 114.58 115.31 1jsa h GLU 47 Ca -0.00 -0.33 0.40 0.00 -0.13 0.00 0.00 59.36 59.30 1jsa h GLU 47 Cb 0.42 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.80 1jsa h GLU 47 CO 0.02 1.01 0.80 0.35 -0.73 0.00 0.00 179.01 180.47 1jsa h PHE 48 N 0.05 0.57 0.00 0.92 3.04 0.21 2.16 116.94 123.89 1jsa h PHE 48 Ca -0.38 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.55 1jsa h PHE 48 Cb 2.03 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 40.39 1jsa h PHE 48 CO 0.06 -0.17 -0.20 0.37 -2.02 0.00 0.00 178.31 176.35 1jsa h GLN 49 N 0.14 0.00 0.00 1.11 -0.00 -1.70 -2.17 115.11 112.49 1jsa h GLN 49 Ca 0.78 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.43 1jsa h GLN 49 Cb 2.35 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 29.83 1jsa h GLN 49 CO -0.41 0.20 -0.01 1.15 0.00 0.00 0.00 178.83 179.76 1jsa h THR 50 N 0.00 0.05 0.00 2.39 2.02 0.34 -2.94 112.91 114.76 1jsa h THR 50 Ca -0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1jsa h THR 50 Cb 0.48 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1jsa h THR 50 CO 0.03 0.01 -0.22 -0.38 0.37 0.00 0.00 175.52 175.33 1jsa n ILE 51 N -3.13 0.60 0.20 3.11 5.41 -0.82 -4.11 119.36 120.62 1jsa n ILE 51 Ca -0.01 0.38 0.03 0.00 1.00 0.00 0.00 62.75 64.15 1jsa n ILE 51 Cb 0.21 -1.88 0.17 0.00 -0.71 0.00 0.00 39.64 37.44 1jsa n ILE 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1jsa h TYR 52 N -0.42 0.00 0.00 1.39 3.20 -1.62 1.39 116.97 120.91 1jsa h TYR 52 Ca 0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 1jsa h TYR 52 Cb 0.22 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1jsa h TYR 52 CO -0.09 0.00 -0.61 0.66 -1.64 0.00 0.00 178.16 176.48 1jsa h SER 53 N 0.00 0.00 0.76 -2.11 4.64 -1.67 -3.08 113.55 112.09 1jsa h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jsa h SER 53 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1jsa h SER 53 CO 0.00 0.61 0.00 0.29 -0.87 0.00 0.00 176.83 176.86 1jsa n LYS 54 N -3.31 0.18 -0.00 4.77 5.02 0.48 -1.98 118.16 123.30 1jsa n LYS 54 Ca 0.01 0.39 0.11 0.00 -2.02 0.00 0.00 58.31 56.79 1jsa n LYS 54 Cb 0.75 -1.83 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 1jsa n LYS 54 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jsa n PHE 55 N -2.16 0.02 -3.00 2.13 3.72 -1.17 -4.66 117.46 112.34 1jsa n PHE 55 Ca 0.03 0.01 -0.15 0.00 -0.05 0.00 0.00 57.45 57.28 1jsa n PHE 55 Cb 0.24 -0.36 0.01 0.00 -0.94 0.00 0.00 39.48 38.43 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1jsa n PHE 56 N -2.04 -1.23 0.06 1.38 3.72 -1.02 -4.94 117.46 113.39 1jsa n PHE 56 Ca -0.01 -3.03 -0.02 0.00 -0.05 0.00 0.00 57.45 54.33 1jsa n PHE 56 Cb 0.50 0.44 0.23 0.00 -0.94 0.00 0.00 39.48 39.70 1jsa n PHE 56 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1jsa h PRO 57 N 3.26 0.34 -0.86 -1.08 0.13 -1.67 -3.26 132.00 128.87 1jsa h PRO 57 Ca 0.01 -0.14 0.09 0.00 -0.87 0.00 0.00 66.00 65.08 1jsa h PRO 57 Cb 1.00 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.00 1jsa h PRO 57 CO 0.36 0.64 -0.56 1.05 -0.23 0.00 0.00 178.00 179.26 1jsa h GLU 58 N 0.30 -0.09 0.00 0.86 4.11 -1.92 -3.42 114.58 114.42 1jsa h GLU 58 Ca 0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1jsa h GLU 58 Cb 0.73 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1jsa h GLU 58 CO 0.06 -0.06 0.00 0.00 0.07 0.00 0.00 179.01 179.08 1jsa n ALA 59 N -3.23 0.00 -3.15 1.06 0.00 -1.23 -4.99 120.51 108.97 1jsa n ALA 59 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 1jsa n ALA 59 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 0.37 -0.08 0.00 9.92 -1.25 -4.92 116.55 120.60 1jsa n ASP 60 Ca 0.00 -3.00 0.00 0.00 -0.53 0.00 0.00 54.79 51.26 1jsa n ASP 60 Cb 0.00 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 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 0.55 0.19 0.27 -0.24 -0.04 -1.26 -3.61 135.00 130.85 1jsa n PRO 61 Ca 0.22 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.79 1jsa n PRO 61 Cb 0.64 -1.02 0.55 0.00 -0.04 0.00 0.00 33.50 33.63 1jsa n PRO 61 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1jsa h LYS 62 N 0.13 0.00 0.00 0.54 1.57 -1.93 0.62 116.57 117.50 1jsa h LYS 62 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1jsa h LYS 62 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1jsa h LYS 62 CO 0.00 0.00 -1.52 0.00 -0.57 0.00 0.00 179.45 177.36 1jsa h ALA 63 N 1.12 0.67 0.00 3.86 0.00 -1.88 -3.36 119.26 119.68 1jsa h ALA 63 Ca 0.00 -1.30 -0.09 0.00 0.00 0.00 0.00 54.91 53.52 1jsa h ALA 63 Cb 0.79 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1jsa h ALA 63 CO 0.00 1.47 -1.22 0.98 0.00 0.00 0.00 179.25 180.49 1jsa n TYR 64 N -3.11 0.98 0.26 0.00 4.19 0.19 -3.90 117.16 115.76 1jsa n TYR 64 Ca -0.12 0.31 0.11 0.00 3.31 0.00 0.00 57.90 61.50 1jsa n TYR 64 Cb 1.01 -1.03 0.69 0.00 0.49 0.00 0.00 39.34 40.51 1jsa n TYR 64 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1jsa h ALA 65 N 1.71 1.37 0.00 2.98 0.00 -1.00 -1.55 119.26 122.77 1jsa h ALA 65 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jsa h ALA 65 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jsa h ALA 65 CO 0.02 0.16 -0.56 1.96 0.00 0.00 0.00 179.25 180.84 1jsa h GLN 66 N 0.00 0.00 0.00 0.00 4.20 -1.71 -3.29 115.11 114.31 1jsa h GLN 66 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1jsa h GLN 66 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1jsa h GLN 66 CO 0.02 0.00 -0.41 0.45 -0.67 0.00 0.00 178.83 178.22 1jsa h HIS 67 N 0.00 0.00 0.00 2.96 3.86 -1.41 -3.09 115.15 117.47 1jsa h HIS 67 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jsa h HIS 67 Cb 0.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1jsa h HIS 67 CO 0.00 0.41 0.00 1.55 0.86 0.00 0.00 177.93 180.75 1jsa n VAL 68 N -3.25 1.24 0.11 2.45 3.14 -1.15 -3.31 118.33 117.57 1jsa n VAL 68 Ca 0.02 0.31 -0.05 0.00 -2.96 0.00 0.00 64.34 61.66 1jsa n VAL 68 Cb 0.66 -1.16 -0.02 0.00 -1.06 0.00 0.00 33.84 32.27 1jsa n VAL 68 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 1jsa h PHE 69 N 0.00 -0.30 0.00 1.45 3.57 -1.75 -2.96 116.94 116.95 1jsa h PHE 69 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1jsa h PHE 69 Cb 0.14 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1jsa h PHE 69 CO 0.00 -0.18 0.28 0.54 -2.23 0.00 0.00 178.31 176.71 1jsa n ARG 70 N -3.59 0.00 -0.08 1.11 5.12 -1.21 -0.53 116.66 117.48 1jsa n ARG 70 Ca -0.04 0.22 -0.12 0.00 -1.93 0.00 0.00 57.85 55.98 1jsa n ARG 70 Cb 0.13 -1.78 -0.05 0.00 -1.16 0.00 0.00 32.46 29.60 1jsa n ARG 70 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1jsa h SER 71 N 0.00 0.45 -0.20 0.55 0.02 -1.63 -3.41 113.55 109.34 1jsa h SER 71 Ca 0.00 -0.37 -0.26 0.00 -0.84 0.00 0.00 61.79 60.32 1jsa h SER 71 Cb 0.55 -0.12 -0.17 0.00 0.14 0.00 0.00 62.40 62.79 1jsa h SER 71 CO 0.00 0.72 -0.52 0.33 -1.14 0.00 0.00 176.83 176.22 1jsa n PHE 72 N -4.57 -2.66 0.00 3.45 7.35 0.31 -4.62 117.46 116.72 1jsa n PHE 72 Ca -0.04 -2.24 0.00 0.00 -0.76 0.00 0.00 57.45 54.41 1jsa n PHE 72 Cb 0.30 1.43 0.00 0.00 0.35 0.00 0.00 39.48 41.56 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 0.55 0.00 0.00 -2.13 2.03 -1.10 -4.90 116.55 111.01 1jsa n ASP 73 Ca 0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1jsa n ASP 73 Cb 0.68 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 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 -2.89 0.00 -2.00 -1.67 0.00 -1.26 -4.62 120.51 108.07 1jsa n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jsa n ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 2.04 -1.26 -5.02 115.26 111.02 1jsa n ASN 75 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1jsa n ASN 75 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1jsa n SER 76 N 0.00 0.63 0.10 0.53 3.41 -1.26 -4.75 113.62 112.28 1jsa n SER 76 Ca 0.00 -1.26 -0.16 0.00 -0.26 0.00 0.00 58.87 57.19 1jsa n SER 76 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1jsa n SER 76 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1jsa h ASP 77 N 0.00 0.41 0.00 4.04 3.58 -1.95 -3.47 116.42 119.04 1jsa h ASP 77 Ca 0.00 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1jsa h ASP 77 Cb 0.66 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1jsa h ASP 77 CO 0.00 1.37 0.00 0.61 -2.88 0.00 0.00 179.24 178.34 1jsa n GLY 78 N 1.55 2.70 3.29 -0.78 0.00 -1.26 -4.91 105.19 105.78 1jsa n GLY 78 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.24 0.09 -0.27 2.61 -4.23 -1.26 -4.90 115.64 105.44 1jsa s THR 79 Ca 0.00 -0.91 -0.21 0.00 -1.18 0.00 0.00 61.69 59.39 1jsa s THR 79 Cb 0.00 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 72.49 1jsa s THR 79 CO 0.00 -0.43 0.66 -0.76 -0.54 0.00 0.00 174.62 173.55 1jsa s LEU 80 N -2.85 4.08 0.40 4.79 1.43 -0.23 -4.85 118.68 121.44 1jsa s LEU 80 Ca 0.06 0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 53.79 1jsa s LEU 80 Cb 0.03 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 1jsa s LEU 80 CO -0.10 -0.42 0.69 -0.62 0.23 0.00 0.00 176.35 176.13 1jsa s ASP 81 N 1.50 6.38 0.00 2.29 -1.08 -1.26 0.60 116.67 125.10 1jsa s ASP 81 Ca 0.27 0.87 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 1jsa s ASP 81 Cb -0.15 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1jsa s ASP 81 CO 0.09 -0.40 0.50 0.33 0.52 0.00 0.00 175.17 176.21 1jsa n PHE 82 N -1.62 0.00 -0.08 -5.34 7.35 -1.18 -2.21 117.46 114.38 1jsa n PHE 82 Ca -0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1jsa n PHE 82 Cb 0.55 -0.02 -0.04 0.00 0.35 0.00 0.00 39.48 40.32 1jsa n PHE 82 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1jsa h LYS 83 N 0.00 0.00 0.00 -4.13 3.64 -1.91 -3.32 116.57 110.85 1jsa h LYS 83 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jsa h LYS 83 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1jsa h LYS 83 CO 0.00 0.31 0.00 0.93 -2.27 0.00 0.00 179.45 178.42 1jsa h GLU 84 N -1.00 0.00 0.77 1.90 5.08 -1.79 -3.07 114.58 116.46 1jsa h GLU 84 Ca -0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1jsa h GLU 84 Cb 0.67 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.92 1jsa h GLU 84 CO -0.05 0.00 -0.37 -0.92 -1.00 0.00 0.00 179.01 176.67 1jsa h TYR 85 N 0.00 -0.95 -0.98 4.33 3.20 -1.58 -2.82 116.97 118.16 1jsa h TYR 85 Ca 0.00 -0.02 0.31 0.00 3.14 0.00 0.00 58.73 62.15 1jsa h TYR 85 Cb 0.27 0.32 -0.15 0.00 1.54 0.00 0.00 36.73 38.71 1jsa h TYR 85 CO 0.00 -0.58 0.52 0.28 -1.64 0.00 0.00 178.16 176.73 1jsa h VAL 86 N -1.24 0.31 0.53 1.81 2.07 -1.63 0.65 116.25 118.74 1jsa h VAL 86 Ca -0.11 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1jsa h VAL 86 Cb 0.80 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1jsa h VAL 86 CO 0.17 0.06 -0.51 0.40 0.02 0.00 0.00 177.57 177.72 1jsa h ILE 87 N 0.32 0.00 0.64 4.57 1.08 -1.60 0.49 117.51 123.02 1jsa h ILE 87 Ca 0.70 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 65.14 1jsa h ILE 87 Cb 1.57 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1jsa h ILE 87 CO -0.61 0.00 -0.31 0.00 -0.69 0.00 0.00 178.15 176.54 1jsa h ALA 88 N -0.94 -0.86 0.55 1.87 0.00 -0.77 0.65 119.26 119.75 1jsa h ALA 88 Ca -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1jsa h ALA 88 Cb 0.88 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1jsa h ALA 88 CO -0.05 -0.98 -0.51 -0.07 0.00 0.00 0.00 179.25 177.65 1jsa h LEU 89 N -0.88 -1.38 -2.22 0.00 -0.00 -0.93 -2.31 115.31 107.58 1jsa h LEU 89 Ca -0.09 0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1jsa h LEU 89 Cb 0.67 0.45 -0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1jsa h LEU 89 CO 0.14 -0.69 -0.05 1.12 -0.00 0.00 0.00 178.44 178.97 1jsa h HIS 90 N -1.04 0.00 -0.02 1.13 2.07 -0.05 -1.78 115.15 115.45 1jsa h HIS 90 Ca -0.07 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.36 1jsa h HIS 90 Cb 0.90 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.86 1jsa h HIS 90 CO -0.24 0.05 -0.43 1.98 -3.07 0.00 0.00 177.93 176.22 1jsa h MET 91 N 0.00 0.05 0.00 5.12 1.85 -0.33 -2.53 114.93 119.09 1jsa h MET 91 Ca -0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1jsa h MET 91 Cb 0.12 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.14 1jsa h MET 91 CO 0.01 0.47 0.04 2.41 -0.40 0.00 0.00 176.91 179.44 1jsa n THR 92 N -4.02 0.39 0.00 -0.77 -1.04 -0.67 -4.51 114.28 103.65 1jsa n THR 92 Ca -0.02 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1jsa n THR 92 Cb 0.46 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 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 -0.99 0.00 0.00 8.00 3.41 -0.96 -5.06 113.62 118.02 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 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 -3.03 7.33 0.00 -1.18 -3.59 120.51 117.03 1jsa n ALA 94 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1jsa n ALA 94 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1jsa n ALA 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jsa s GLY 95 N 0.00 1.98 -0.35 0.00 0.00 -1.26 -4.85 107.32 102.85 1jsa s GLY 95 Ca 0.00 -2.02 0.07 0.00 0.00 0.00 0.00 44.72 42.77 1jsa s GLY 95 CO 0.00 0.96 1.79 0.58 0.00 0.00 0.00 173.10 176.43 1jsa n LYS 96 N 5.02 3.10 0.00 2.90 2.85 -1.24 -4.58 118.16 126.21 1jsa n LYS 96 Ca -0.11 -2.87 0.00 0.00 -1.05 0.00 0.00 58.31 54.28 1jsa n LYS 96 Cb 0.44 -2.15 0.00 0.00 -0.65 0.00 0.00 35.03 32.67 1jsa n LYS 96 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1jsa n THR 97 N -0.43 0.00 -4.09 0.58 -2.24 -1.26 -5.10 114.28 101.73 1jsa n THR 97 Ca 0.45 0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 62.40 1jsa n THR 97 Cb 1.43 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 1jsa n THR 97 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jsa n ASN 98 N -1.82 -0.37 -2.04 3.42 0.23 -1.26 -4.91 115.26 108.51 1jsa n ASN 98 Ca 0.00 -2.02 -0.14 0.00 -0.53 0.00 0.00 54.58 51.89 1jsa n ASN 98 Cb 0.00 0.84 0.03 0.00 -2.08 0.00 0.00 39.78 38.56 1jsa n ASN 98 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1jsa n GLN 99 N -0.30 -3.43 0.00 -3.83 -0.06 -1.26 -4.83 117.38 103.67 1jsa n GLN 99 Ca 0.03 0.55 0.00 0.00 -2.00 0.00 0.00 57.00 55.58 1jsa n GLN 99 Cb 0.28 -4.67 0.00 0.00 -4.06 0.00 0.00 30.24 21.80 1jsa n GLN 99 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1jsa n LYS 100 N -2.87 0.00 0.00 3.69 2.85 -1.26 -4.76 118.16 115.82 1jsa n LYS 100 Ca -0.05 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.10 1jsa n LYS 100 Cb 0.57 -0.08 -0.08 0.00 -0.65 0.00 0.00 35.03 34.78 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1jsa h LEU 101 N 0.00 -0.10 -1.41 -5.58 3.38 -1.94 -2.44 115.31 107.22 1jsa h LEU 101 Ca 0.00 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 57.58 1jsa h LEU 101 Cb 0.19 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1jsa h LEU 101 CO 0.00 0.56 0.51 -0.08 0.09 0.00 0.00 178.44 179.51 1jsa h GLU 102 N -0.87 0.63 -0.22 1.13 4.81 -1.92 -0.36 114.58 117.78 1jsa h GLU 102 Ca -0.01 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1jsa h GLU 102 Cb 0.59 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1jsa h GLU 102 CO 0.02 0.42 -0.46 -1.49 -0.73 0.00 0.00 179.01 176.77 1jsa h TRP 103 N 0.65 0.67 0.00 0.92 6.55 -1.91 -2.82 115.95 120.01 1jsa h TRP 103 Ca 0.36 -0.21 -0.02 0.00 0.95 0.00 0.00 58.89 59.97 1jsa h TRP 103 Cb 0.53 -0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.69 1jsa h TRP 103 CO -0.00 0.91 -0.11 0.00 -1.05 0.00 0.00 178.44 178.19 1jsa h ALA 104 N 1.05 1.71 -1.04 1.49 0.00 -0.56 -2.39 119.26 119.53 1jsa h ALA 104 Ca 0.03 -0.10 0.28 0.00 0.00 0.00 0.00 54.91 55.11 1jsa h ALA 104 Cb 0.97 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 1jsa h ALA 104 CO 0.09 0.14 0.64 0.35 0.00 0.00 0.00 179.25 180.47 1jsa h PHE 105 N 0.00 0.84 -0.71 0.00 3.57 -1.19 0.37 116.94 119.82 1jsa h PHE 105 Ca -0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1jsa h PHE 105 Cb 0.21 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1jsa h PHE 105 CO 0.00 0.01 0.25 0.77 -2.23 0.00 0.00 178.31 177.11 1jsa h SER 106 N 0.44 1.00 0.15 0.41 0.02 -1.60 -0.39 113.55 113.59 1jsa h SER 106 Ca 0.65 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 1jsa h SER 106 Cb 1.49 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1jsa h SER 106 CO -0.42 0.92 -0.09 0.25 -1.14 0.00 0.00 176.83 176.35 1jsa h LEU 107 N 1.02 -0.22 -1.54 5.07 7.12 -0.40 -2.10 115.31 124.27 1jsa h LEU 107 Ca 0.23 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1jsa h LEU 107 Cb 0.26 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1jsa h LEU 107 CO -0.01 -0.14 0.10 1.88 -0.13 0.00 0.00 178.44 180.14 1jsa h TYR 108 N -0.22 0.00 -2.24 1.25 -1.99 -1.51 -3.06 116.97 109.20 1jsa h TYR 108 Ca -0.02 0.00 -0.80 0.00 2.00 0.00 0.00 58.73 59.91 1jsa h TYR 108 Cb 0.18 0.00 -0.24 0.00 2.00 0.00 0.00 36.73 38.66 1jsa h TYR 108 CO 0.10 0.00 1.23 -3.47 -0.00 0.00 0.00 178.16 176.02 1jsa n ASP 109 N -2.36 7.00 0.17 3.88 2.03 -0.16 -4.58 116.55 122.54 1jsa n ASP 109 Ca -0.02 -3.49 0.04 0.00 0.52 0.00 0.00 54.79 51.85 1jsa n ASP 109 Cb 0.13 -1.25 0.21 0.00 -0.72 0.00 0.00 41.12 39.49 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 2.76 0.00 0.07 5.18 2.07 -1.64 0.21 116.25 124.89 1jsa h VAL 110 Ca 0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.96 1jsa h VAL 110 Cb 0.43 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1jsa h VAL 110 CO 1.31 0.00 -0.03 -0.78 0.02 0.00 0.00 177.57 178.08 1jsa h ASP 111 N 0.00 -0.08 0.00 0.57 3.58 -1.86 -3.48 116.42 115.15 1jsa h ASP 111 Ca 0.00 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1jsa h ASP 111 Cb 1.01 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1jsa h ASP 111 CO 0.00 0.51 0.00 0.61 -2.88 0.00 0.00 179.24 177.48 1jsa n GLY 112 N 0.56 1.03 0.00 -0.78 0.00 0.73 -5.06 105.19 101.66 1jsa n GLY 112 Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.27 0.00 -0.41 1.61 6.94 -1.26 -5.05 115.26 117.36 1jsa n ASN 113 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1jsa n ASN 113 Cb 0.01 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jsa n GLY 114 N 5.00 0.22 3.20 4.83 0.00 -1.26 -5.04 105.19 112.14 1jsa n GLY 114 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.47 0.19 2.61 -4.23 -1.26 -4.28 115.64 108.21 1jsa s THR 115 Ca 0.00 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.57 1jsa s THR 115 Cb 0.00 -0.59 -0.07 0.00 1.34 0.00 0.00 72.50 73.18 1jsa s THR 115 CO 0.00 0.08 0.56 -0.63 -0.54 0.00 0.00 174.62 174.08 1jsa s ILE 116 N 2.31 4.88 0.28 2.99 1.01 0.22 -4.86 121.20 128.02 1jsa s ILE 116 Ca -0.03 0.68 0.05 0.00 0.00 0.00 0.00 60.65 61.35 1jsa s ILE 116 Cb -0.11 -3.68 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1jsa s ILE 116 CO -0.12 0.10 -0.01 -0.44 0.00 0.00 0.00 174.94 174.47 1jsa s SER 117 N -2.01 2.38 0.40 3.58 0.01 -1.26 -2.49 113.70 114.30 1jsa s SER 117 Ca 0.42 -1.24 0.12 0.00 1.31 0.00 0.00 55.95 56.56 1jsa s SER 117 Cb -0.13 -0.09 0.94 0.00 0.21 0.00 0.00 66.02 66.94 1jsa s SER 117 CO 0.20 -0.46 1.91 0.11 0.41 0.00 0.00 173.24 175.41 1jsa h LYS 118 N 2.30 0.53 -0.84 12.44 1.57 -1.98 -0.34 116.57 130.24 1jsa h LYS 118 Ca -0.40 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.32 1jsa h LYS 118 Cb 1.23 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 1jsa h LYS 118 CO 0.67 0.35 0.41 -0.97 -0.57 0.00 0.00 179.45 179.34 1jsa h ASN 119 N 0.54 1.08 -0.21 0.86 -1.24 -1.99 -0.73 115.58 113.89 1jsa h ASN 119 Ca 0.38 -0.13 -0.10 0.00 0.71 0.00 0.00 56.30 57.16 1jsa h ASN 119 Cb 0.72 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 1jsa h ASN 119 CO -0.14 0.91 -0.27 -0.33 -1.29 0.00 0.00 177.43 176.30 1jsa h GLU 120 N 1.18 0.56 0.00 6.67 5.08 -1.46 -2.65 114.58 123.96 1jsa h GLU 120 Ca 0.29 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jsa h GLU 120 Cb 0.10 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jsa h GLU 120 CO -0.04 0.91 0.00 0.28 -1.00 0.00 0.00 179.01 179.16 1jsa h VAL 121 N 0.24 0.00 0.04 3.13 2.07 -1.05 -2.72 116.25 117.95 1jsa h VAL 121 Ca 0.03 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1jsa h VAL 121 Cb 0.84 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1jsa h VAL 121 CO 0.06 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.57 1jsa h LEU 122 N 0.00 -0.04 -1.26 2.57 3.38 -0.77 -2.30 115.31 116.88 1jsa h LEU 122 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1jsa h LEU 122 Cb 0.24 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1jsa h LEU 122 CO 0.00 0.72 0.44 1.05 0.09 0.00 0.00 178.44 180.74 1jsa h GLU 123 N -0.90 0.94 0.11 1.13 4.11 -1.38 0.28 114.58 118.88 1jsa h GLU 123 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1jsa h GLU 123 Cb 0.69 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1jsa h GLU 123 CO 0.01 0.64 -0.06 0.82 0.07 0.00 0.00 179.01 180.50 1jsa h ILE 124 N 0.96 1.01 -0.32 -1.06 1.08 -1.57 0.86 117.51 118.47 1jsa h ILE 124 Ca 0.25 -0.48 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1jsa h ILE 124 Cb -0.06 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1jsa h ILE 124 CO -0.05 0.12 0.13 0.58 -0.69 0.00 0.00 178.15 178.24 1jsa h VAL 125 N -0.38 1.18 -0.05 1.67 2.07 -1.04 -0.89 116.25 118.81 1jsa h VAL 125 Ca -0.02 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1jsa h VAL 125 Cb 0.31 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1jsa h VAL 125 CO 0.03 0.19 -0.15 0.74 0.02 0.00 0.00 177.57 178.39 1jsa h THR 126 N 0.37 0.62 -0.31 2.57 2.02 -0.39 -0.05 112.91 117.74 1jsa h THR 126 Ca 0.11 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.35 1jsa h THR 126 Cb 0.17 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1jsa h THR 126 CO -0.01 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.83 1jsa h ALA 127 N 0.75 0.23 -0.88 6.16 0.00 -0.64 0.66 119.26 125.54 1jsa h ALA 127 Ca 0.07 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.23 1jsa h ALA 127 Cb 0.32 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1jsa h ALA 127 CO -0.18 -0.44 0.57 0.82 0.00 0.00 0.00 179.25 180.02 1jsa h ILE 128 N 0.03 0.82 -0.81 0.00 2.04 -0.51 0.98 117.51 120.05 1jsa h ILE 128 Ca 0.15 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1jsa h ILE 128 Cb 0.22 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1jsa h ILE 128 CO -0.29 0.12 0.53 0.15 0.00 0.00 0.00 178.15 178.66 1jsa h PHE 129 N 0.65 1.00 -0.51 1.37 3.57 0.10 -1.82 116.94 121.30 1jsa h PHE 129 Ca 0.44 0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.03 1jsa h PHE 129 Cb 0.76 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1jsa h PHE 129 CO -0.00 0.60 0.22 0.87 -2.23 0.00 0.00 178.31 177.77 1jsa h LYS 130 N 1.06 0.41 -0.33 1.11 1.79 -0.31 0.15 116.57 120.45 1jsa h LYS 130 Ca 0.31 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.84 1jsa h LYS 130 Cb -0.06 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1jsa h LYS 130 CO -0.09 0.27 0.24 1.98 -1.08 0.00 0.00 179.45 180.77 1jsa h MET 131 N 0.43 0.06 -6.12 3.15 4.05 -1.09 -3.31 114.93 112.09 1jsa h MET 131 Ca 0.24 -0.00 -0.58 0.00 -0.28 0.00 0.00 59.70 59.07 1jsa h MET 131 Cb 0.22 -0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 30.90 1jsa h MET 131 CO -0.21 0.04 0.77 0.42 0.23 0.00 0.00 176.91 178.16 1jsa s ILE 132 N -5.10 4.17 0.74 1.77 1.01 0.54 -4.48 121.20 119.86 1jsa s ILE 132 Ca -0.05 0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 1jsa s ILE 132 Cb 0.19 -4.67 0.04 0.00 0.01 0.00 0.00 42.46 38.03 1jsa s ILE 132 CO 0.71 -1.32 1.24 -0.55 0.00 0.00 0.00 174.94 175.02 1jsa s SER 133 N 3.08 4.04 0.13 3.58 0.15 -1.26 -4.65 113.70 118.77 1jsa s SER 133 Ca 0.34 2.47 -0.26 0.00 0.70 0.00 0.00 55.95 59.21 1jsa s SER 133 Cb -0.11 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1jsa s SER 133 CO 0.20 -2.37 1.63 -0.65 1.20 0.00 0.00 173.24 173.24 1jsa h PRO 134 N -0.27 -0.38 -1.11 5.44 0.11 -1.92 0.38 132.00 134.25 1jsa h PRO 134 Ca -0.48 0.03 0.31 0.00 0.11 0.00 0.00 66.00 65.96 1jsa h PRO 134 Cb 1.31 0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.40 1jsa h PRO 134 CO 0.49 -0.25 0.71 1.49 -0.21 0.00 0.00 178.00 180.23 1jsa h GLU 135 N -0.39 0.30 0.00 1.05 4.22 -2.03 0.79 114.58 118.52 1jsa h GLU 135 Ca 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1jsa h GLU 135 Cb 0.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1jsa h GLU 135 CO -0.26 0.20 -0.85 -0.44 -2.18 0.00 0.00 179.01 175.48 1jsa h ASP 136 N 0.31 0.00 0.34 1.04 5.19 -1.52 -3.31 116.42 118.46 1jsa h ASP 136 Ca 0.66 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1jsa h ASP 136 Cb 1.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.29 1jsa h ASP 136 CO -0.34 0.07 0.00 0.41 -3.12 0.00 0.00 179.24 176.27 1jsa n THR 137 N -2.34 1.29 1.52 0.35 -1.04 0.27 -1.38 114.28 112.96 1jsa n THR 137 Ca 0.02 0.36 0.14 0.00 -2.04 0.00 0.00 64.05 62.53 1jsa n THR 137 Cb 0.49 -1.23 0.60 0.00 -1.82 0.00 0.00 70.33 68.37 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 -1.65 1.11 -0.10 -2.82 4.81 -1.16 -4.08 118.16 114.27 1jsa n LYS 138 Ca 0.02 -0.49 -0.19 0.00 -0.87 0.00 0.00 58.31 56.79 1jsa n LYS 138 Cb 0.11 -1.49 -0.09 0.00 0.02 0.00 0.00 35.03 33.58 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 -0.52 0.97 -1.28 5.64 8.25 -0.48 -4.94 115.22 122.85 1jsa n HIS 139 Ca 0.17 0.42 -0.38 0.00 -0.26 0.00 0.00 57.72 57.67 1jsa n HIS 139 Cb 0.29 -1.03 0.03 0.00 1.12 0.00 0.00 29.99 30.40 1jsa n HIS 139 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1jsa n LEU 140 N -4.47 -1.99 -4.60 2.41 -0.00 -1.25 -4.86 117.00 102.24 1jsa n LEU 140 Ca -0.28 0.62 -0.34 0.00 -0.00 0.00 0.00 56.01 56.01 1jsa n LEU 140 Cb 0.60 -0.99 0.11 0.00 -0.00 0.00 0.00 43.42 43.15 1jsa n LEU 140 CO 0.17 -4.18 0.47 -2.65 -0.00 0.00 0.00 177.39 171.20 1jsa n PRO 141 N 0.82 0.15 0.09 1.47 -0.01 -1.26 -4.94 135.00 131.31 1jsa n PRO 141 Ca 0.08 0.12 -0.12 0.00 -0.01 0.00 0.00 63.50 63.57 1jsa n PRO 141 Cb 0.49 -2.21 -0.07 0.00 -0.01 0.00 0.00 33.50 31.70 1jsa n PRO 141 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1jsa h GLU 142 N -0.86 0.25 0.00 -0.52 4.39 -1.97 -3.17 114.58 112.70 1jsa h GLU 142 Ca -0.46 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 58.91 1jsa h GLU 142 Cb 1.31 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1jsa h GLU 142 CO 0.43 1.08 0.00 -0.25 -1.16 0.00 0.00 179.01 179.11 1jsa n ASP 143 N -3.61 0.00 -2.74 1.42 8.00 -1.26 -2.70 116.55 115.66 1jsa n ASP 143 Ca -0.06 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.36 1jsa n ASP 143 Cb 0.89 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 42.05 1jsa n ASP 143 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1jsa n GLU 144 N -0.77 0.80 -0.06 -1.24 0.28 -1.20 -4.72 120.64 113.74 1jsa n GLU 144 Ca 0.00 -1.73 -0.04 0.00 -0.16 0.00 0.00 57.16 55.24 1jsa n GLU 144 Cb 0.00 -1.37 -0.01 0.00 1.43 0.00 0.00 31.44 31.49 1jsa n GLU 144 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1jsa h ASN 145 N 3.82 0.00 -2.49 -1.84 -1.24 -1.64 -3.44 115.58 108.75 1jsa h ASN 145 Ca -0.15 0.00 -0.45 0.00 0.71 0.00 0.00 56.30 56.41 1jsa h ASN 145 Cb 1.05 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.12 1jsa h ASN 145 CO 0.29 0.67 -0.17 0.42 -1.29 0.00 0.00 177.43 177.35 1jsa s THR 146 N -2.06 4.08 0.00 -3.57 -4.23 -1.26 -4.89 115.64 103.71 1jsa s THR 146 Ca -0.12 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1jsa s THR 146 Cb 0.02 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1jsa s THR 146 CO 0.17 -0.29 0.92 -2.65 -0.54 0.00 0.00 174.62 172.22 1jsa n PRO 147 N -1.94 0.00 -0.40 3.99 -0.02 -1.26 0.14 135.00 135.51 1jsa n PRO 147 Ca 0.01 0.54 0.39 0.00 -2.02 0.00 0.00 63.50 62.41 1jsa n PRO 147 Cb 0.58 -1.42 0.76 0.00 -0.02 0.00 0.00 33.50 33.41 1jsa n PRO 147 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1jsa h GLU 148 N 0.00 0.00 0.06 -0.52 4.11 -1.96 2.48 114.58 118.75 1jsa h GLU 148 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.19 1jsa h GLU 148 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jsa h GLU 148 CO 0.00 0.00 -1.07 -0.22 0.07 0.00 0.00 179.01 177.79 1jsa h LYS 149 N 0.00 0.23 0.10 1.06 3.64 -1.73 -3.32 116.57 116.54 1jsa h LYS 149 Ca 0.64 -0.33 -0.35 0.00 -1.27 0.00 0.00 60.65 59.34 1jsa h LYS 149 Cb 2.58 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 34.49 1jsa h LYS 149 CO -0.01 1.10 -1.95 -2.13 -2.27 0.00 0.00 179.45 174.20 1jsa n ARG 150 N -3.57 0.73 0.04 1.90 0.63 0.41 -3.80 116.66 113.00 1jsa n ARG 150 Ca -0.06 0.26 0.21 0.00 -0.92 0.00 0.00 57.85 57.34 1jsa n ARG 150 Cb 0.93 -1.72 0.58 0.00 0.45 0.00 0.00 32.46 32.70 1jsa n ARG 150 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jsa h ALA 151 N 0.28 2.31 0.00 5.13 0.00 0.35 2.72 119.26 130.04 1jsa h ALA 151 Ca -0.40 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1jsa h ALA 151 Cb 2.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 1jsa h ALA 151 CO 0.08 -1.03 -0.75 1.49 0.00 0.00 0.00 179.25 179.04 1jsa h GLU 152 N 0.00 0.00 0.09 0.00 4.81 -1.66 -2.15 114.58 115.67 1jsa h GLU 152 Ca 0.26 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1jsa h GLU 152 Cb 1.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.15 1jsa h GLU 152 CO -0.00 0.75 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.76 1jsa h LYS 153 N 0.00 -0.12 0.21 1.92 1.63 0.46 -0.77 116.57 119.91 1jsa h LYS 153 Ca -0.01 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1jsa h LYS 153 Cb 1.40 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 1jsa h LYS 153 CO 0.10 0.40 -0.10 0.82 -3.45 0.00 0.00 179.45 177.21 1jsa h ILE 154 N -0.78 0.00 -0.76 2.00 2.04 -1.51 -1.76 117.51 116.74 1jsa h ILE 154 Ca -0.01 -0.04 0.21 0.00 1.00 0.00 0.00 64.86 66.01 1jsa h ILE 154 Cb 0.58 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1jsa h ILE 154 CO 0.02 0.00 0.54 -0.25 0.00 0.00 0.00 178.15 178.46 1jsa h TRP 155 N -0.33 0.13 0.00 1.37 2.91 -1.56 0.59 115.95 119.06 1jsa h TRP 155 Ca -0.03 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.94 1jsa h TRP 155 Cb 0.22 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 1jsa h TRP 155 CO 0.14 0.04 -0.27 0.78 -1.03 0.00 0.00 178.44 178.10 1jsa h GLY 156 N 0.10 0.00 0.51 2.65 0.00 -0.97 -2.29 103.07 103.07 1jsa h GLY 156 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1jsa h GLY 156 CO -0.04 0.00 -0.24 -2.75 0.00 0.00 0.00 176.54 173.50 1jsa h PHE 157 N 0.00 -0.63 0.63 5.60 3.04 0.11 -3.29 116.94 122.40 1jsa h PHE 157 Ca -0.00 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1jsa h PHE 157 Cb 0.56 0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.28 1jsa h PHE 157 CO 0.00 -0.39 -0.37 0.74 -2.02 0.00 0.00 178.31 176.26 1jsa h PHE 158 N -0.69 -0.98 -5.66 0.41 0.04 -1.60 -3.48 116.94 104.98 1jsa h PHE 158 Ca -0.07 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.60 1jsa h PHE 158 Cb 0.52 0.35 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1jsa h PHE 158 CO 0.11 -0.57 -0.84 0.41 -0.60 0.00 0.00 178.31 176.82 1jsa n GLY 159 N -1.51 -1.53 3.46 -1.45 0.00 -0.87 -4.99 105.19 98.30 1jsa n GLY 159 Ca -0.13 0.91 -0.33 0.00 0.00 0.00 0.00 46.02 46.47 1jsa n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jsa s LYS 160 N -2.16 2.91 0.00 1.61 0.00 -1.26 -5.12 119.74 115.72 1jsa s LYS 160 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 55.97 55.51 1jsa s LYS 160 Cb -0.04 -2.53 0.00 0.00 0.00 0.00 0.00 37.83 35.26 1jsa s LYS 160 CO 0.71 0.47 0.00 1.63 0.00 0.00 0.00 175.35 178.16 1jsa n LYS 161 N 2.76 3.13 0.00 1.78 4.76 -1.26 -4.03 118.16 125.30 1jsa n LYS 161 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1jsa n LYS 161 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1jsa n LYS 161 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1jsa n ASP 162 N 0.00 0.00 -0.22 4.39 2.03 -1.26 0.23 116.55 121.72 1jsa n ASP 162 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1jsa n ASP 162 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1jsa n ASP 162 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1jsa n ASP 163 N -2.72 0.22 -2.84 1.67 2.03 -1.26 -4.86 116.55 108.78 1jsa n ASP 163 Ca 0.00 -1.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.14 1jsa n ASP 163 Cb 0.00 -0.11 0.02 0.00 -0.72 0.00 0.00 41.12 40.31 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 -0.17 -4.75 -3.78 1.67 5.75 0.14 -4.98 116.55 110.42 1jsa n ASP 164 Ca 0.00 0.07 -0.13 0.00 -0.01 0.00 0.00 54.79 54.73 1jsa n ASP 164 Cb 0.05 -1.26 -0.10 0.00 -1.03 0.00 0.00 41.12 38.78 1jsa n ASP 164 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1jsa s LYS 165 N -1.42 0.46 -0.15 0.11 -2.85 -1.26 -4.84 119.74 109.80 1jsa s LYS 165 Ca 0.17 0.15 -0.05 0.00 -1.00 0.00 0.00 55.97 55.24 1jsa s LYS 165 Cb -0.02 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.93 1jsa s LYS 165 CO 0.38 -0.09 0.02 -1.17 0.10 0.00 0.00 175.35 174.59 1jsa s LEU 166 N -0.46 3.62 0.27 2.77 2.96 -1.04 -4.86 118.68 121.95 1jsa s LEU 166 Ca -0.06 0.06 0.11 0.00 -0.22 0.00 0.00 54.13 54.02 1jsa s LEU 166 Cb -0.04 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1jsa s LEU 166 CO 0.02 0.24 -0.09 0.28 -1.32 0.00 0.00 176.35 175.48 1jsa s THR 167 N -0.04 3.00 -0.59 3.68 -1.32 -1.26 0.69 115.64 119.81 1jsa s THR 167 Ca 0.04 -2.14 0.03 0.00 -1.21 0.00 0.00 61.69 58.41 1jsa s THR 167 Cb -0.13 -2.60 0.03 0.00 -1.51 0.00 0.00 72.50 68.29 1jsa s THR 167 CO 0.02 -0.38 0.95 -1.84 -2.21 0.00 0.00 174.62 171.15 1jsa n GLU 168 N -0.77 0.02 0.00 7.08 0.28 -1.26 -0.63 120.64 125.36 1jsa n GLU 168 Ca -0.06 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1jsa n GLU 168 Cb 0.59 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.75 1jsa n GLU 168 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1jsa n LYS 169 N -1.48 0.00 0.11 3.44 5.02 -1.26 -4.02 118.16 119.97 1jsa n LYS 169 Ca -0.00 0.49 -0.02 0.00 -2.02 0.00 0.00 58.31 56.76 1jsa n LYS 169 Cb 0.16 -1.10 0.22 0.00 -0.02 0.00 0.00 35.03 34.30 1jsa n LYS 169 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1jsa h GLU 170 N 0.00 0.16 -0.33 1.97 4.39 -1.90 -2.75 114.58 116.12 1jsa h GLU 170 Ca 0.00 -0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.71 1jsa h GLU 170 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1jsa h GLU 170 CO 0.00 0.60 0.84 0.35 -1.16 0.00 0.00 179.01 179.64 1jsa h PHE 171 N 0.13 0.00 0.09 4.33 3.57 -1.03 1.36 116.94 125.39 1jsa h PHE 171 Ca 0.01 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.15 1jsa h PHE 171 Cb 0.88 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1jsa h PHE 171 CO 0.01 0.00 -2.00 -0.89 -2.23 0.00 0.00 178.31 173.20 1jsa n ILE 172 N -2.95 1.72 -0.06 1.41 5.41 -1.04 -4.14 119.36 119.71 1jsa n ILE 172 Ca 0.07 -0.68 -0.08 0.00 1.00 0.00 0.00 62.75 63.06 1jsa n ILE 172 Cb 0.96 -1.56 -0.07 0.00 -0.71 0.00 0.00 39.64 38.25 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 0.05 0.00 -0.80 0.38 5.08 0.14 -1.36 114.58 118.08 1jsa h GLU 173 Ca -0.42 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.17 1jsa h GLU 173 Cb 2.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.24 1jsa h GLU 173 CO 0.07 0.56 1.01 0.78 -1.00 0.00 0.00 179.01 180.44 1jsa h GLY 174 N -1.00 0.00 0.00 -3.84 0.00 -0.10 2.17 103.07 100.30 1jsa h GLY 174 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 1jsa h GLY 174 CO -0.01 0.00 -2.11 -1.30 0.00 0.00 0.00 176.54 173.12 1jsa n THR 175 N -3.28 0.45 -0.30 4.70 -2.24 -1.23 -4.35 114.28 108.03 1jsa n THR 175 Ca 0.17 -0.61 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 1jsa n THR 175 Cb 1.27 -0.15 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jsa h LEU 176 N 0.00 1.11 0.00 3.22 6.46 0.48 -3.38 115.31 123.20 1jsa h LEU 176 Ca -0.18 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1jsa h LEU 176 Cb 1.39 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 1jsa h LEU 176 CO 0.01 0.96 0.00 0.00 -0.62 0.00 0.00 178.44 178.79 1jsa n ALA 177 N -2.43 0.00 -2.05 1.25 0.00 -0.87 -4.59 120.51 111.82 1jsa n ALA 177 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1jsa n ALA 177 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1jsa n ALA 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jsa s ASN 178 N -1.57 5.78 0.37 0.00 2.20 -1.26 -4.82 114.94 115.64 1jsa s ASN 178 Ca 0.00 1.01 0.27 0.00 -0.94 0.00 0.00 52.86 53.21 1jsa s ASN 178 Cb 0.00 -2.53 1.07 0.00 -2.00 0.00 0.00 41.25 37.79 1jsa s ASN 178 CO 0.00 -1.85 1.81 0.07 -2.94 0.00 0.00 177.10 174.19 1jsa h LYS 179 N 13.17 0.00 0.00 3.55 -0.00 -1.81 -2.98 116.57 128.49 1jsa h LYS 179 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.34 1jsa h LYS 179 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.39 1jsa h LYS 179 CO 1.08 0.00 0.07 0.39 -0.00 0.00 0.00 179.45 181.00 1jsa n GLU 180 N -2.59 0.00 0.08 0.07 -0.58 -1.26 0.95 120.64 117.31 1jsa n GLU 180 Ca 0.02 0.16 0.12 0.00 -0.42 0.00 0.00 57.16 57.04 1jsa n GLU 180 Cb 0.29 -1.57 0.10 0.00 -0.57 0.00 0.00 31.44 29.68 1jsa n GLU 180 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1jsa h ILE 181 N 0.00 0.00 -0.29 -3.67 2.04 -1.86 -3.35 117.51 110.38 1jsa h ILE 181 Ca 0.00 -0.69 -0.18 0.00 1.00 0.00 0.00 64.86 64.99 1jsa h ILE 181 Cb 0.15 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1jsa h ILE 181 CO 0.00 0.00 -0.53 0.25 0.00 0.00 0.00 178.15 177.87 1jsa h LEU 182 N 0.00 0.94 0.00 1.44 7.12 0.32 -2.67 115.31 122.46 1jsa h LEU 182 Ca 0.00 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.51 1jsa h LEU 182 Cb 0.84 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1jsa h LEU 182 CO 0.00 1.29 0.00 0.54 -0.13 0.00 0.00 178.44 180.14 1jsa n ARG 183 N -4.01 0.64 0.00 1.25 1.74 -1.26 -3.95 116.66 111.08 1jsa n ARG 183 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1jsa n ARG 183 Cb 0.62 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1jsa n ARG 183 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jsa n LEU 184 N -0.72 0.00 -2.16 0.55 7.99 -1.01 -4.60 117.00 117.05 1jsa n LEU 184 Ca 0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 56.02 1jsa n LEU 184 Cb 0.03 -0.26 -0.07 0.00 -0.11 0.00 0.00 43.42 43.01 1jsa n LEU 184 CO 0.05 -0.31 0.96 2.30 -1.51 0.00 0.00 177.39 178.89 1jsa n ILE 185 N -2.09 1.42 -3.00 -0.08 -5.35 -1.20 -4.84 119.36 104.23 1jsa n ILE 185 Ca 0.00 -0.67 -0.32 0.00 -0.27 0.00 0.00 62.75 61.49 1jsa n ILE 185 Cb 0.00 -1.66 -0.06 0.00 -1.74 0.00 0.00 39.64 36.18 1jsa n ILE 185 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1jsa s GLN 186 N 1.81 4.05 0.00 6.28 0.74 -1.25 -4.97 119.66 126.32 1jsa s GLN 186 Ca 0.28 0.79 0.01 0.00 0.05 0.00 0.00 55.36 56.49 1jsa s GLN 186 Cb 0.13 -2.34 0.01 0.00 1.10 0.00 0.00 33.01 31.91 1jsa s GLN 186 CO 0.00 0.07 0.74 1.97 -0.55 0.00 0.00 175.29 177.52 1jsa n PHE 187 N -0.56 0.00 1.42 1.67 1.16 -1.26 -5.13 117.46 114.76 1jsa n PHE 187 Ca 0.05 -0.03 0.14 0.00 -1.87 0.00 0.00 57.45 55.73 1jsa n PHE 187 Cb 0.53 0.13 0.46 0.00 -1.61 0.00 0.00 39.48 38.99 1jsa n PHE 187 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98