#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 0.71 -3.59 1.61 2.85 -1.26 -4.85 115.26 110.73 1jsa n ASN 2 Ca 0.00 0.50 -0.25 0.00 -0.11 0.00 0.00 54.58 54.71 1jsa n ASN 2 Cb 0.00 -0.63 0.18 0.00 1.24 0.00 0.00 39.78 40.58 1jsa n ASN 2 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1jsa n SER 3 N -2.15 -0.28 -2.82 1.20 2.88 -1.26 -4.73 113.62 106.45 1jsa n SER 3 Ca 0.05 -1.35 -0.01 0.00 -1.33 0.00 0.00 58.87 56.24 1jsa n SER 3 Cb 0.42 -0.87 -0.01 0.00 -0.75 0.00 0.00 64.21 63.00 1jsa n SER 3 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1jsa n LYS 4 N -3.60 -2.88 -0.30 -1.46 4.81 -1.26 -4.85 118.16 108.62 1jsa n LYS 4 Ca 0.14 2.40 0.07 0.00 -0.87 0.00 0.00 58.31 60.04 1jsa n LYS 4 Cb 0.50 -4.25 0.21 0.00 0.02 0.00 0.00 35.03 31.51 1jsa n LYS 4 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1jsa n SER 5 N 1.02 2.76 0.00 3.14 3.41 -1.26 -3.87 113.62 118.83 1jsa n SER 5 Ca -0.05 -2.13 0.13 0.00 -0.26 0.00 0.00 58.87 56.56 1jsa n SER 5 Cb 0.18 -0.38 0.44 0.00 -0.26 0.00 0.00 64.21 64.20 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 1.02 -1.39 2.55 5.00 0.00 -1.26 -4.10 105.19 107.00 1jsa n GLY 6 Ca 0.15 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.52 6.56 -1.09 4.61 0.00 -1.25 -4.90 120.51 122.91 1jsa n ALA 7 Ca 0.06 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.75 1jsa n ALA 7 Cb 0.34 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1jsa n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1jsa n LEU 8 N 0.94 0.00 0.00 0.00 -0.00 -1.26 -4.68 117.00 111.99 1jsa n LEU 8 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 1jsa n LEU 8 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 1jsa n LEU 8 CO 0.51 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 176.36 1jsa n SER 9 N 0.00 0.00 -0.01 1.45 3.41 -1.26 -4.45 113.62 112.75 1jsa n SER 9 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1jsa n SER 9 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1jsa n SER 9 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jsa n LYS 10 N 0.00 0.71 0.11 4.33 3.00 -1.26 -2.88 118.16 122.17 1jsa n LYS 10 Ca 0.00 0.27 -0.03 0.00 -0.00 0.00 0.00 58.31 58.55 1jsa n LYS 10 Cb 0.00 -1.73 0.17 0.00 0.00 0.00 0.00 35.03 33.46 1jsa n LYS 10 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1jsa h GLU 11 N 0.04 0.14 0.17 1.64 4.81 -1.87 -2.38 114.58 117.12 1jsa h GLU 11 Ca -0.38 -0.09 -0.30 0.00 -0.13 0.00 0.00 59.36 58.46 1jsa h GLU 11 Cb 2.03 0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.43 1jsa h GLU 11 CO 0.08 0.67 -1.37 0.82 -0.73 0.00 0.00 179.01 178.48 1jsa h ILE 12 N 0.10 1.37 0.00 2.32 2.04 -1.90 -3.16 117.51 118.28 1jsa h ILE 12 Ca -0.00 -2.90 -0.06 0.00 1.00 0.00 0.00 64.86 62.89 1jsa h ILE 12 Cb 1.04 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 40.06 1jsa h ILE 12 CO 0.08 0.86 -0.29 0.17 0.00 0.00 0.00 178.15 178.97 1jsa h LEU 13 N 0.10 0.00 -1.07 1.44 8.10 -1.50 0.16 115.31 122.54 1jsa h LEU 13 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.80 1jsa h LEU 13 Cb 2.04 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.26 1jsa h LEU 13 CO 0.22 0.29 0.34 -0.08 -4.11 0.00 0.00 178.44 175.10 1jsa h GLU 14 N 0.00 0.00 -0.00 0.17 4.57 -1.38 4.05 114.58 121.99 1jsa h GLU 14 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jsa h GLU 14 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1jsa h GLU 14 CO 0.04 0.00 -0.07 0.39 -1.18 0.00 0.00 179.01 178.19 1jsa n GLU 15 N -2.24 0.29 0.00 1.92 -0.58 0.05 -4.44 120.64 115.63 1jsa n GLU 15 Ca -0.01 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1jsa n GLU 15 Cb 0.37 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1jsa n LEU 16 N -1.32 0.00 -0.00 -4.62 -0.00 1.34 0.20 117.00 112.60 1jsa n LEU 16 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.03 1jsa n LEU 16 Cb 0.29 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.64 1jsa n LEU 16 CO 0.26 0.00 0.28 -0.61 -0.00 0.00 0.00 177.39 177.32 1jsa h GLN 17 N 0.00 -0.11 -0.26 1.47 4.15 -1.82 0.10 115.11 118.65 1jsa h GLN 17 Ca 0.00 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1jsa h GLN 17 Cb 0.00 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1jsa h GLN 17 CO 0.00 0.35 0.89 1.25 -1.93 0.00 0.00 178.83 179.40 1jsa h LEU 18 N -0.95 0.00 0.00 -2.39 5.85 0.20 -3.35 115.31 114.67 1jsa h LEU 18 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jsa h LEU 18 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1jsa h LEU 18 CO 0.02 0.00 0.00 -0.46 -0.34 0.00 0.00 178.44 177.66 1jsa n ASN 19 N -2.82 0.00 -4.58 1.25 2.04 -1.02 -4.63 115.26 105.51 1jsa n ASN 19 Ca 0.05 0.00 -0.58 0.00 -0.44 0.00 0.00 54.58 53.61 1jsa n ASN 19 Cb 0.98 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 38.16 1jsa n ASN 19 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 1jsa n THR 20 N 0.00 0.03 -3.37 5.53 5.66 0.34 -4.59 114.28 117.88 1jsa n THR 20 Ca 0.00 -0.01 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 1jsa n THR 20 Cb 0.00 -0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 68.35 1jsa n THR 20 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1jsa s LYS 21 N 0.91 3.53 0.20 1.09 3.01 -1.26 -4.98 119.74 122.23 1jsa s LYS 21 Ca 0.92 -0.23 -0.18 0.00 -1.01 0.00 0.00 55.97 55.47 1jsa s LYS 21 Cb -1.20 -2.66 0.17 0.00 -1.01 0.00 0.00 37.83 33.13 1jsa s LYS 21 CO 0.59 0.18 1.59 0.74 0.51 0.00 0.00 175.35 178.96 1jsa h PHE 22 N 1.09 -0.76 -1.14 3.18 0.04 -1.98 -3.41 116.94 113.96 1jsa h PHE 22 Ca -0.49 0.07 0.16 0.00 2.80 0.00 0.00 57.97 60.51 1jsa h PHE 22 Cb 1.21 0.43 -0.23 0.00 2.20 0.00 0.00 35.95 39.56 1jsa h PHE 22 CO 0.53 -0.36 0.11 0.99 -0.60 0.00 0.00 178.31 178.99 1jsa s THR 23 N -6.07 -0.62 0.41 -1.55 2.01 -1.26 -5.01 115.64 103.55 1jsa s THR 23 Ca -0.14 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.07 1jsa s THR 23 Cb 0.17 -1.00 0.42 0.00 0.01 0.00 0.00 72.50 72.10 1jsa s THR 23 CO 0.71 0.00 1.75 1.05 -0.69 0.00 0.00 174.62 177.44 1jsa h GLU 24 N 7.68 0.31 0.00 4.92 4.11 -1.92 2.33 114.58 132.01 1jsa h GLU 24 Ca -0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1jsa h GLU 24 Cb 1.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1jsa h GLU 24 CO 0.08 0.20 0.00 -0.85 0.07 0.00 0.00 179.01 178.51 1jsa n GLU 25 N -4.61 0.11 0.02 1.06 -0.00 -1.26 -2.28 120.64 113.68 1jsa n GLU 25 Ca 0.27 0.20 -0.16 0.00 -0.00 0.00 0.00 57.16 57.47 1jsa n GLU 25 Cb 0.99 -1.50 -0.14 0.00 -0.00 0.00 0.00 31.44 30.79 1jsa n GLU 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1jsa h GLU 26 N 0.00 0.19 -0.47 3.44 4.81 0.36 -3.33 114.58 119.58 1jsa h GLU 26 Ca 0.00 -0.33 0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1jsa h GLU 26 Cb 0.19 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1jsa h GLU 26 CO 0.00 0.99 0.98 -0.07 -0.73 0.00 0.00 179.01 180.18 1jsa h LEU 27 N 0.05 0.00 0.00 1.64 3.38 -1.31 -0.83 115.31 118.24 1jsa h LEU 27 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1jsa h LEU 27 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 1jsa h LEU 27 CO 0.12 0.00 -0.01 -1.28 0.09 0.00 0.00 178.44 177.36 1jsa h SER 28 N 0.00 0.00 0.00 -0.43 0.87 -1.75 -2.92 113.55 109.32 1jsa h SER 28 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1jsa h SER 28 Cb 2.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.14 1jsa h SER 28 CO -0.00 0.23 0.82 0.77 -0.53 0.00 0.00 176.83 178.11 1jsa h SER 29 N -0.44 0.00 0.27 6.23 4.64 -1.35 1.40 113.55 124.29 1jsa h SER 29 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1jsa h SER 29 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1jsa h SER 29 CO 0.00 0.00 -1.79 -0.25 -0.87 0.00 0.00 176.83 173.92 1jsa h TRP 30 N 0.00 0.48 0.00 4.77 2.91 -1.53 -3.14 115.95 119.44 1jsa h TRP 30 Ca 0.00 -0.35 -0.00 0.00 1.13 0.00 0.00 58.89 59.67 1jsa h TRP 30 Cb 1.63 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 30.26 1jsa h TRP 30 CO 0.00 1.57 -0.01 -0.92 -1.03 0.00 0.00 178.44 178.05 1jsa h TYR 31 N 0.07 0.00 0.00 2.65 3.20 0.21 -2.81 116.97 120.30 1jsa h TYR 31 Ca -0.34 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 1jsa h TYR 31 Cb 2.05 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.32 1jsa h TYR 31 CO 0.07 0.01 -0.54 0.94 -1.64 0.00 0.00 178.16 177.00 1jsa n GLN 32 N -3.20 0.46 -0.09 1.82 7.27 -1.07 -3.59 117.38 118.98 1jsa n GLN 32 Ca -0.02 0.53 0.24 0.00 0.07 0.00 0.00 57.00 57.81 1jsa n GLN 32 Cb 0.12 -1.69 0.51 0.00 2.41 0.00 0.00 30.24 31.58 1jsa n GLN 32 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1jsa h SER 33 N -1.00 0.00 0.48 1.69 0.87 -1.52 1.82 113.55 115.89 1jsa h SER 33 Ca -0.01 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.27 1jsa h SER 33 Cb 0.54 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1jsa h SER 33 CO -0.01 0.00 -1.24 0.15 -0.53 0.00 0.00 176.83 175.20 1jsa h PHE 34 N 0.00 0.65 -0.01 2.24 3.04 -1.64 -2.66 116.94 118.56 1jsa h PHE 34 Ca 0.37 -0.45 0.00 0.00 3.98 0.00 0.00 57.97 61.88 1jsa h PHE 34 Cb 2.32 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 40.80 1jsa h PHE 34 CO 0.00 1.33 0.01 -0.07 -2.02 0.00 0.00 178.31 177.56 1jsa h LEU 35 N 0.13 0.00 0.13 0.59 3.38 0.28 0.88 115.31 120.70 1jsa h LEU 35 Ca -0.15 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.48 1jsa h LEU 35 Cb 1.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1jsa h LEU 35 CO 0.21 0.00 -1.74 0.11 0.09 0.00 0.00 178.44 177.11 1jsa h LYS 36 N 0.00 0.27 -0.33 1.13 1.57 -1.44 -3.31 116.57 114.47 1jsa h LYS 36 Ca 0.00 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1jsa h LYS 36 Cb 0.02 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1jsa h LYS 36 CO -0.00 1.14 0.00 0.39 -0.57 0.00 0.00 179.45 180.41 1jsa n GLU 37 N -3.46 2.09 -2.79 3.15 1.02 -0.67 -4.62 120.64 115.37 1jsa n GLU 37 Ca -0.23 -1.66 -0.03 0.00 -0.02 0.00 0.00 57.16 55.22 1jsa n GLU 37 Cb 1.06 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 31.06 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 3.05 0.04 -3.39 0.00 -0.02 -1.25 -4.43 135.00 129.00 1jsa n PRO 39 Ca 0.16 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 1jsa n PRO 39 Cb 0.58 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.47 1jsa n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jsa s SER 40 N -2.71 6.29 0.16 2.55 0.15 -1.26 -4.97 113.70 113.91 1jsa s SER 40 Ca 0.03 0.33 -0.15 0.00 0.70 0.00 0.00 55.95 56.86 1jsa s SER 40 Cb 0.03 -2.21 0.09 0.00 -1.71 0.00 0.00 66.02 62.21 1jsa s SER 40 CO 0.06 -0.17 1.75 1.23 1.20 0.00 0.00 173.24 177.32 1jsa h GLY 41 N 8.43 0.50 -2.96 9.45 0.00 -1.99 -3.42 103.07 113.08 1jsa h GLY 41 Ca -0.32 -0.08 -0.50 0.00 0.00 0.00 0.00 47.33 46.44 1jsa h GLY 41 CO 0.66 0.02 -0.19 0.50 0.00 0.00 0.00 176.54 177.53 1jsa s ARG 42 N -6.15 3.53 -0.10 4.80 3.00 -1.26 -4.55 118.95 118.22 1jsa s ARG 42 Ca -0.13 -0.23 0.04 0.00 0.00 0.00 0.00 55.73 55.41 1jsa s ARG 42 Cb 0.13 -2.68 -0.00 0.00 0.00 0.00 0.00 34.95 32.40 1jsa s ARG 42 CO 0.72 0.19 -0.24 0.42 0.00 0.00 0.00 175.30 176.39 1jsa s ILE 43 N -2.20 2.11 0.92 1.52 1.01 -1.18 -4.94 121.20 118.43 1jsa s ILE 43 Ca 0.41 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 1jsa s ILE 43 Cb -0.10 -1.80 0.21 0.00 0.01 0.00 0.00 42.46 40.78 1jsa s ILE 43 CO 0.34 0.56 1.25 0.35 0.00 0.00 0.00 174.94 177.43 1jsa n THR 44 N 3.44 0.00 0.01 2.92 -2.24 -1.26 -2.66 114.28 114.50 1jsa n THR 44 Ca -0.19 -1.09 -0.17 0.00 -2.27 0.00 0.00 64.05 60.33 1jsa n THR 44 Cb 0.53 -1.39 -0.14 0.00 -2.10 0.00 0.00 70.33 67.23 1jsa n THR 44 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1jsa h ARG 45 N 0.00 0.20 0.00 -0.78 2.43 -2.00 -3.05 114.38 111.18 1jsa h ARG 45 Ca -0.40 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 58.40 1jsa h ARG 45 Cb 1.18 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1jsa h ARG 45 CO 0.31 1.00 -0.15 1.96 -1.51 0.00 0.00 179.97 181.58 1jsa h GLN 46 N 0.05 0.00 0.00 0.20 4.20 -2.02 -2.61 115.11 114.93 1jsa h GLN 46 Ca -0.35 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.13 1jsa h GLN 46 Cb 2.03 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.77 1jsa h GLN 46 CO 0.11 0.15 -1.53 1.49 -0.67 0.00 0.00 178.83 178.38 1jsa h GLU 47 N 0.00 0.00 -0.73 1.46 4.81 -1.97 -3.37 114.58 114.77 1jsa h GLU 47 Ca -0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1jsa h GLU 47 Cb 0.28 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.52 1jsa h GLU 47 CO 0.02 0.45 -0.23 0.35 -0.73 0.00 0.00 179.01 178.87 1jsa h PHE 48 N 0.00 -0.54 0.00 0.92 3.57 -1.34 1.55 116.94 121.10 1jsa h PHE 48 Ca -0.22 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1jsa h PHE 48 Cb 1.83 0.35 0.00 0.00 2.79 0.00 0.00 35.95 40.92 1jsa h PHE 48 CO 0.00 -0.34 0.04 0.00 -2.23 0.00 0.00 178.31 175.78 1jsa n GLN 49 N -5.48 0.07 0.00 1.11 10.64 -1.24 -0.54 117.38 121.94 1jsa n GLN 49 Ca 0.09 0.56 0.13 0.00 -1.83 0.00 0.00 57.00 55.95 1jsa n GLN 49 Cb 0.38 -1.79 0.47 0.00 -0.86 0.00 0.00 30.24 28.44 1jsa n GLN 49 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1jsa n THR 50 N -1.89 0.01 0.01 -0.39 -1.04 0.53 -3.80 114.28 107.71 1jsa n THR 50 Ca -0.01 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.05 61.78 1jsa n THR 50 Cb 0.06 -0.21 -0.14 0.00 -1.82 0.00 0.00 70.33 68.23 1jsa n THR 50 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1jsa h ILE 51 N 0.00 0.70 0.00 12.58 2.04 -0.81 -3.35 117.51 128.68 1jsa h ILE 51 Ca 0.00 -2.36 -0.01 0.00 1.00 0.00 0.00 64.86 63.50 1jsa h ILE 51 Cb 0.51 2.53 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1jsa h ILE 51 CO 0.00 0.85 -0.03 1.88 0.00 0.00 0.00 178.15 180.85 1jsa h TYR 52 N -0.01 0.00 0.00 1.37 -1.99 -1.66 -1.15 116.97 113.53 1jsa h TYR 52 Ca -0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1jsa h TYR 52 Cb 1.98 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.71 1jsa h TYR 52 CO 0.09 0.03 0.00 0.43 -0.00 0.00 0.00 178.16 178.71 1jsa n SER 53 N -4.00 0.08 0.00 3.88 7.64 -1.25 -2.71 113.62 117.27 1jsa n SER 53 Ca -0.03 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1jsa n SER 53 Cb 0.12 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1jsa n SER 53 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1jsa n LYS 54 N -1.61 0.00 -0.17 1.43 4.81 -0.43 -4.51 118.16 117.68 1jsa n LYS 54 Ca -0.00 0.33 -0.10 0.00 -0.87 0.00 0.00 58.31 57.67 1jsa n LYS 54 Cb 0.01 -0.83 -0.08 0.00 0.02 0.00 0.00 35.03 34.15 1jsa n LYS 54 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1jsa h PHE 55 N 0.00 -1.39 -4.11 5.64 -1.00 -1.69 -3.40 116.94 110.99 1jsa h PHE 55 Ca 0.00 0.08 -0.53 0.00 2.81 0.00 0.00 57.97 60.32 1jsa h PHE 55 Cb 0.00 0.66 0.12 0.00 3.61 0.00 0.00 35.95 40.35 1jsa h PHE 55 CO 0.00 -0.36 0.46 -0.06 -1.61 0.00 0.00 178.31 176.74 1jsa s PHE 56 N -5.04 2.32 0.00 -0.55 0.08 -1.10 -4.96 117.98 108.73 1jsa s PHE 56 Ca -0.11 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.47 1jsa s PHE 56 Cb 0.07 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 1jsa s PHE 56 CO 0.48 -2.33 0.82 -2.30 -0.10 0.00 0.00 175.22 171.79 1jsa n PRO 57 N -1.82 0.00 -1.33 0.24 -0.02 -1.26 -4.74 135.00 126.07 1jsa n PRO 57 Ca 0.14 0.57 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 1jsa n PRO 57 Cb 0.50 -1.32 0.01 0.00 -0.02 0.00 0.00 33.50 32.67 1jsa n PRO 57 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1jsa n GLU 58 N -1.86 0.31 0.00 -0.52 4.07 -1.26 -4.88 120.64 116.49 1jsa n GLU 58 Ca 0.00 -0.59 0.00 0.00 -0.06 0.00 0.00 57.16 56.51 1jsa n GLU 58 Cb 0.00 0.39 0.00 0.00 -0.06 0.00 0.00 31.44 31.77 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jsa n ALA 59 N -0.35 0.00 -3.16 4.31 0.00 -1.26 -5.01 120.51 115.04 1jsa n ALA 59 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 1jsa n ALA 59 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 1.29 -0.10 0.00 9.92 -1.22 -4.90 116.55 121.54 1jsa n ASP 60 Ca 0.00 -3.09 0.00 0.00 -0.53 0.00 0.00 54.79 51.17 1jsa n ASP 60 Cb 0.00 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 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 0.27 0.19 0.23 -0.24 -0.04 -1.26 -3.14 135.00 131.00 1jsa n PRO 61 Ca 0.26 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1jsa n PRO 61 Cb 0.62 -1.02 0.52 0.00 -0.04 0.00 0.00 33.50 33.58 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 0.16 0.00 0.05 0.54 3.11 -1.91 1.39 116.57 119.92 1jsa h LYS 62 Ca 0.00 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.60 1jsa h LYS 62 Cb 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 1jsa h LYS 62 CO 0.00 0.16 -1.17 0.00 -2.81 0.00 0.00 179.45 175.64 1jsa h ALA 63 N 1.84 0.31 0.00 5.00 0.00 -1.86 -3.21 119.26 121.33 1jsa h ALA 63 Ca -0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 54.91 53.65 1jsa h ALA 63 Cb 0.29 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1jsa h ALA 63 CO 0.02 1.19 -1.70 0.98 0.00 0.00 0.00 179.25 179.74 1jsa n TYR 64 N -3.38 1.01 0.31 0.00 9.36 -0.86 -3.70 117.16 119.89 1jsa n TYR 64 Ca -0.05 0.37 0.16 0.00 3.32 0.00 0.00 57.90 61.70 1jsa n TYR 64 Cb 0.98 -1.19 0.64 0.00 -0.63 0.00 0.00 39.34 39.15 1jsa n TYR 64 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jsa h ALA 65 N 1.00 1.00 0.00 2.98 0.00 0.18 -2.54 119.26 121.87 1jsa h ALA 65 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1jsa h ALA 65 Cb 2.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1jsa h ALA 65 CO 0.08 0.00 -1.10 1.04 0.00 0.00 0.00 179.25 179.26 1jsa n GLN 66 N -2.87 0.61 0.20 0.00 6.02 -1.21 -3.74 117.38 116.39 1jsa n GLN 66 Ca 0.01 0.15 0.14 0.00 -0.01 0.00 0.00 57.00 57.29 1jsa n GLN 66 Cb 0.28 -1.82 0.41 0.00 1.02 0.00 0.00 30.24 30.13 1jsa n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jsa h HIS 67 N 0.00 0.00 0.00 1.08 3.86 -1.53 -2.86 115.15 115.70 1jsa h HIS 67 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1jsa h HIS 67 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1jsa h HIS 67 CO 0.00 0.00 -0.58 1.55 0.86 0.00 0.00 177.93 179.76 1jsa n VAL 68 N -2.81 0.05 0.00 2.45 3.14 -1.20 -3.90 118.33 116.05 1jsa n VAL 68 Ca 0.03 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1jsa n VAL 68 Cb 0.41 0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.45 1jsa n VAL 68 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 1jsa n PHE 69 N -1.59 0.00 0.00 1.45 -0.00 -1.08 -3.70 117.46 112.54 1jsa n PHE 69 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1jsa n PHE 69 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.83 1jsa n PHE 69 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1jsa n ARG 70 N -0.45 0.00 0.01 -4.13 0.63 -1.23 0.15 116.66 111.64 1jsa n ARG 70 Ca 0.00 0.19 0.11 0.00 -0.92 0.00 0.00 57.85 57.24 1jsa n ARG 70 Cb 0.00 -1.76 0.09 0.00 0.45 0.00 0.00 32.46 31.24 1jsa n ARG 70 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1jsa n SER 71 N -1.17 0.64 0.00 6.15 2.88 -1.25 -4.52 113.62 116.36 1jsa n SER 71 Ca 0.00 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1jsa n SER 71 Cb 0.26 0.58 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1jsa n SER 71 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1jsa n PHE 72 N -1.71 0.00 0.07 0.66 7.35 0.40 -4.58 117.46 119.65 1jsa n PHE 72 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1jsa n PHE 72 Cb 0.38 0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.29 1jsa n PHE 72 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1jsa n ASP 73 N -1.43 1.01 -1.43 -2.13 8.00 -1.06 -3.89 116.55 115.61 1jsa n ASP 73 Ca 0.00 -0.89 -0.04 0.00 0.71 0.00 0.00 54.79 54.57 1jsa n ASP 73 Cb 0.00 -0.20 0.16 0.00 -0.02 0.00 0.00 41.12 41.06 1jsa n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jsa n ALA 74 N 1.34 3.67 -1.88 2.24 0.00 -1.25 -4.11 120.51 120.52 1jsa n ALA 74 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.06 1jsa n ALA 74 Cb 0.12 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 18.53 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 0.33 0.00 0.00 6.94 -1.25 -4.82 115.26 116.45 1jsa n ASN 75 Ca 0.23 -1.43 0.00 0.00 -0.02 0.00 0.00 54.58 53.36 1jsa n ASN 75 Cb 0.93 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1jsa n ASN 75 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1jsa n SER 76 N -3.30 0.00 0.03 0.53 2.88 -1.26 -1.09 113.62 111.41 1jsa n SER 76 Ca 0.10 0.03 -0.20 0.00 -1.33 0.00 0.00 58.87 57.47 1jsa n SER 76 Cb 0.34 -0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.67 1jsa n SER 76 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1jsa h ASP 77 N 0.00 0.89 0.00 -3.46 1.82 -1.88 -3.46 116.42 110.34 1jsa h ASP 77 Ca 0.00 -0.73 0.00 0.00 -0.39 0.00 0.00 57.03 55.91 1jsa h ASP 77 Cb 0.03 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.77 1jsa h ASP 77 CO 0.00 1.50 0.00 0.61 -1.61 0.00 0.00 179.24 179.74 1jsa n GLY 78 N 1.05 0.33 3.16 -0.78 0.00 -0.25 -4.85 105.19 103.85 1jsa n GLY 78 Ca -0.11 0.00 -0.08 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 -1.38 0.17 -0.33 2.61 -4.23 -1.26 -4.88 115.64 106.34 1jsa s THR 79 Ca 0.00 -1.48 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 1jsa s THR 79 Cb 0.00 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 72.37 1jsa s THR 79 CO 0.00 -0.77 0.55 -0.76 -0.54 0.00 0.00 174.62 173.10 1jsa s LEU 80 N -2.90 4.23 0.20 4.79 1.43 -1.09 -4.86 118.68 120.49 1jsa s LEU 80 Ca 0.07 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 1jsa s LEU 80 Cb 0.06 -2.67 -0.07 0.00 0.03 0.00 0.00 46.19 43.54 1jsa s LEU 80 CO -0.10 -0.46 0.57 -0.62 0.23 0.00 0.00 176.35 175.97 1jsa s ASP 81 N 1.71 6.74 0.28 2.29 2.15 -1.26 -3.12 116.67 125.46 1jsa s ASP 81 Ca 0.21 1.04 -0.02 0.00 0.43 0.00 0.00 52.55 54.21 1jsa s ASP 81 Cb -0.15 -2.27 0.61 0.00 -0.30 0.00 0.00 42.92 40.80 1jsa s ASP 81 CO 0.13 -0.00 1.61 0.15 -0.17 0.00 0.00 175.17 176.89 1jsa h PHE 82 N 3.01 0.02 -0.56 -5.34 3.57 -1.96 1.24 116.94 116.92 1jsa h PHE 82 Ca -0.48 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.14 1jsa h PHE 82 Cb 1.18 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 1jsa h PHE 82 CO 0.63 -0.31 0.28 -0.22 -2.23 0.00 0.00 178.31 176.47 1jsa h LYS 83 N 0.09 0.52 -0.12 1.11 3.11 -1.92 -1.43 116.57 117.93 1jsa h LYS 83 Ca 0.51 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 58.23 1jsa h LYS 83 Cb 0.99 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.10 1jsa h LYS 83 CO -0.77 0.35 -0.26 0.93 -2.81 0.00 0.00 179.45 176.89 1jsa h GLU 84 N 0.54 0.38 -0.86 1.90 5.08 -0.20 -3.18 114.58 118.24 1jsa h GLU 84 Ca 0.25 -0.26 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 1jsa h GLU 84 Cb 0.17 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.32 1jsa h GLU 84 CO -0.18 0.86 0.21 -0.92 -1.00 0.00 0.00 179.01 177.98 1jsa h TYR 85 N -0.04 0.31 -0.17 4.33 3.20 0.17 0.97 116.97 125.73 1jsa h TYR 85 Ca 0.00 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1jsa h TYR 85 Cb 0.86 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 1jsa h TYR 85 CO 0.11 -0.20 -0.01 0.28 -1.64 0.00 0.00 178.16 176.70 1jsa h VAL 86 N 0.20 0.87 -0.92 1.81 2.07 -1.25 0.56 116.25 119.59 1jsa h VAL 86 Ca 0.53 -0.02 0.17 0.00 0.82 0.00 0.00 66.70 68.20 1jsa h VAL 86 Cb 1.04 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 1jsa h VAL 86 CO -0.65 0.01 0.59 0.40 0.02 0.00 0.00 177.57 177.94 1jsa h ILE 87 N 0.05 0.76 0.00 4.57 1.08 -0.85 0.42 117.51 123.53 1jsa h ILE 87 Ca 0.08 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1jsa h ILE 87 Cb 0.10 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 1jsa h ILE 87 CO -0.14 0.11 -0.13 0.00 -0.69 0.00 0.00 178.15 177.30 1jsa h ALA 88 N 1.61 0.00 -0.91 1.87 0.00 -0.84 -2.57 119.26 118.42 1jsa h ALA 88 Ca 0.49 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.51 1jsa h ALA 88 Cb 0.89 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1jsa h ALA 88 CO -0.24 0.13 0.71 1.25 0.00 0.00 0.00 179.25 181.10 1jsa h LEU 89 N -0.76 0.00 0.02 0.00 7.12 0.17 -1.27 115.31 120.59 1jsa h LEU 89 Ca 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 1jsa h LEU 89 Cb 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1jsa h LEU 89 CO 0.00 0.00 -0.01 -0.74 -0.13 0.00 0.00 178.44 177.56 1jsa h HIS 90 N 0.00 -0.02 0.00 1.25 2.76 -0.29 -3.15 115.15 115.69 1jsa h HIS 90 Ca 0.43 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1jsa h HIS 90 Cb 1.84 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.81 1jsa h HIS 90 CO 0.00 -0.01 0.28 -0.12 -1.30 0.00 0.00 177.93 176.78 1jsa n MET 91 N -4.34 0.02 0.01 5.26 0.00 -0.88 0.22 117.12 117.42 1jsa n MET 91 Ca -0.00 0.33 0.11 0.00 -0.00 0.00 0.00 57.70 58.14 1jsa n MET 91 Cb 0.01 -1.85 0.01 0.00 0.00 0.00 0.00 33.22 31.38 1jsa n MET 91 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1jsa n THR 92 N -1.46 0.07 -2.89 1.12 -2.24 -0.53 -4.60 114.28 103.76 1jsa n THR 92 Ca -0.00 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 1jsa n THR 92 Cb 0.29 0.46 0.04 0.00 -2.10 0.00 0.00 70.33 69.01 1jsa n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jsa n SER 93 N -1.75 -1.40 -3.49 3.42 7.64 0.60 -5.06 113.62 113.58 1jsa n SER 93 Ca 0.03 -3.39 -0.27 0.00 1.01 0.00 0.00 58.87 56.24 1jsa n SER 93 Cb 0.39 1.06 -0.13 0.00 -1.01 0.00 0.00 64.21 64.52 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jsa s ALA 94 N -0.49 0.59 0.00 -0.43 0.00 -0.98 -4.89 121.76 115.56 1jsa s ALA 94 Ca 0.29 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1jsa s ALA 94 Cb 0.29 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1jsa s ALA 94 CO -0.09 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.21 1jsa n GLY 95 N 4.70 -2.05 4.32 0.00 0.00 -1.26 -4.45 105.19 106.46 1jsa n GLY 95 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1jsa n GLY 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 96 N 0.00 0.00 -2.05 1.61 4.76 -1.26 -4.29 118.16 116.93 1jsa n LYS 96 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jsa n LYS 96 Cb 0.00 -3.36 0.00 0.00 -1.84 0.00 0.00 35.03 29.83 1jsa n LYS 96 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1jsa n THR 97 N -1.54-13.06 -3.88 -0.18 -2.24 -1.26 -5.08 114.28 87.04 1jsa n THR 97 Ca 0.00 3.23 -0.08 0.00 -2.27 0.00 0.00 64.05 64.93 1jsa n THR 97 Cb 0.00 -5.51 -0.02 0.00 -2.10 0.00 0.00 70.33 62.70 1jsa n THR 97 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jsa s ASN 98 N -0.51 -0.12 0.25 3.42 4.22 -1.26 -4.99 114.94 115.96 1jsa s ASN 98 Ca 0.00 -0.82 -0.30 0.00 -2.14 0.00 0.00 52.86 49.59 1jsa s ASN 98 Cb 0.00 0.73 -0.11 0.00 1.28 0.00 0.00 41.25 43.16 1jsa s ASN 98 CO 0.00 -1.40 1.53 -1.10 -2.04 0.00 0.00 177.10 174.09 1jsa s GLN 99 N -3.52 4.20 0.00 3.55 -1.52 -1.26 -4.79 119.66 116.32 1jsa s GLN 99 Ca 0.15 2.43 0.00 0.00 -1.95 0.00 0.00 55.36 55.99 1jsa s GLN 99 Cb -0.05 -3.08 0.00 0.00 -0.22 0.00 0.00 33.01 29.66 1jsa s GLN 99 CO 0.09 -0.54 0.17 0.36 -0.25 0.00 0.00 175.29 175.12 1jsa n LYS 100 N 2.54 0.00 0.00 2.91 2.85 -1.26 -4.68 118.16 120.52 1jsa n LYS 100 Ca 0.09 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1jsa n LYS 100 Cb 0.39 0.01 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 1jsa n LYS 100 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1jsa n LEU 101 N 0.00 1.37 -0.45 -5.58 4.77 -1.26 -3.19 117.00 112.65 1jsa n LEU 101 Ca -0.00 0.24 0.37 0.00 -0.03 0.00 0.00 56.01 56.59 1jsa n LEU 101 Cb 0.17 -0.26 0.66 0.00 -2.33 0.00 0.00 43.42 41.67 1jsa n LEU 101 CO -0.00 -0.26 1.27 -0.08 -1.33 0.00 0.00 177.39 176.99 1jsa h GLU 102 N 0.00 0.10 0.00 3.23 4.81 -1.94 1.96 114.58 122.73 1jsa h GLU 102 Ca 0.00 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1jsa h GLU 102 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1jsa h GLU 102 CO 0.00 0.06 -0.26 -1.49 -0.73 0.00 0.00 179.01 176.59 1jsa h TRP 103 N 0.10 0.00 -0.44 0.92 6.55 -1.97 -2.94 115.95 118.18 1jsa h TRP 103 Ca 0.79 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 60.51 1jsa h TRP 103 Cb 2.58 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 30.87 1jsa h TRP 103 CO -0.00 0.26 -0.23 0.00 -1.05 0.00 0.00 178.44 177.42 1jsa h ALA 104 N 1.74 0.62 0.00 1.49 0.00 0.32 -2.77 119.26 120.65 1jsa h ALA 104 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1jsa h ALA 104 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jsa h ALA 104 CO 0.03 0.61 0.21 0.34 0.00 0.00 0.00 179.25 180.44 1jsa n PHE 105 N -4.16 0.00 -0.08 0.00 -0.00 -1.11 -1.59 117.46 110.52 1jsa n PHE 105 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.35 1jsa n PHE 105 Cb 0.46 -0.13 -0.04 0.00 -0.00 0.00 0.00 39.48 39.77 1jsa n PHE 105 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1jsa n SER 106 N -1.03 1.83 0.05 -2.13 7.64 -1.04 -3.88 113.62 115.06 1jsa n SER 106 Ca 0.00 0.57 0.07 0.00 1.01 0.00 0.00 58.87 60.52 1jsa n SER 106 Cb 0.21 -0.88 0.32 0.00 -1.01 0.00 0.00 64.21 62.85 1jsa n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jsa n LEU 107 N -4.56 0.24 -0.62 -3.43 -0.00 -0.62 -0.01 117.00 107.99 1jsa n LEU 107 Ca -0.14 0.57 0.10 0.00 -0.00 0.00 0.00 56.01 56.54 1jsa n LEU 107 Cb 0.39 -0.56 0.33 0.00 -0.00 0.00 0.00 43.42 43.58 1jsa n LEU 107 CO 0.13 -0.47 0.75 0.00 -0.00 0.00 0.00 177.39 177.80 1jsa n TYR 108 N -1.78 0.28 -3.90 1.47 9.36 -1.00 -4.55 117.16 117.05 1jsa n TYR 108 Ca 0.02 -0.14 -0.30 0.00 3.32 0.00 0.00 57.90 60.80 1jsa n TYR 108 Cb 0.13 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.70 1jsa n TYR 108 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1jsa s ASP 109 N -1.47 4.24 0.29 2.98 -1.08 0.99 -4.47 116.67 118.14 1jsa s ASP 109 Ca 0.32 -2.65 0.18 0.00 -0.52 0.00 0.00 52.55 49.88 1jsa s ASP 109 Cb 0.17 -1.45 0.11 0.00 -1.46 0.00 0.00 42.92 40.29 1jsa s ASP 109 CO 0.25 -0.28 1.38 0.58 0.52 0.00 0.00 175.17 177.62 1jsa h VAL 110 N 5.75 0.52 0.00 1.11 2.07 -1.80 -3.41 116.25 120.49 1jsa h VAL 110 Ca -0.06 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1jsa h VAL 110 Cb 0.94 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1jsa h VAL 110 CO 0.59 0.29 0.00 -0.90 0.02 0.00 0.00 177.57 177.57 1jsa n ASP 111 N -3.11 0.00 0.00 0.57 5.75 -1.26 -4.97 116.55 113.53 1jsa n ASP 111 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1jsa n ASP 111 Cb 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 1jsa n ASP 111 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jsa n GLY 112 N 2.50 2.97 0.00 6.12 0.00 -1.26 -5.13 105.19 110.39 1jsa n GLY 112 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1jsa n GLY 112 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jsa n ASN 113 N 0.00 0.13 0.00 1.61 4.13 -1.26 -4.83 115.26 115.03 1jsa n ASN 113 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1jsa n ASN 113 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jsa n GLY 114 N 0.00 1.01 3.33 7.41 0.00 -1.26 -4.76 105.19 110.92 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 0.07 -0.10 2.61 -4.23 -1.26 -4.57 115.64 108.15 1jsa s THR 115 Ca 0.00 -0.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 1jsa s THR 115 Cb 0.00 -1.27 0.01 0.00 1.34 0.00 0.00 72.50 72.59 1jsa s THR 115 CO 0.00 -0.32 -0.15 -0.63 -0.54 0.00 0.00 174.62 172.98 1jsa s ILE 116 N -3.83 1.46 0.55 2.99 1.01 0.10 -4.93 121.20 118.56 1jsa s ILE 116 Ca 0.05 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1jsa s ILE 116 Cb 0.02 -1.34 0.04 0.00 0.01 0.00 0.00 42.46 41.19 1jsa s ILE 116 CO -0.10 0.43 0.34 -0.94 0.00 0.00 0.00 174.94 174.67 1jsa s SER 117 N 0.96 4.53 0.51 3.58 1.04 -1.26 -2.61 113.70 120.45 1jsa s SER 117 Ca -0.07 -1.36 0.20 0.00 0.48 0.00 0.00 55.95 55.19 1jsa s SER 117 Cb -0.15 0.55 1.31 0.00 0.10 0.00 0.00 66.02 67.84 1jsa s SER 117 CO -0.01 -1.12 2.10 0.11 0.98 0.00 0.00 173.24 175.30 1jsa h LYS 118 N 0.80 0.00 0.90 4.02 1.57 -1.99 -2.81 116.57 119.06 1jsa h LYS 118 Ca -0.38 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1jsa h LYS 118 Cb 1.31 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.63 1jsa h LYS 118 CO 0.59 0.09 -0.43 -0.91 -0.57 0.00 0.00 179.45 178.22 1jsa h ASN 119 N 0.00 -1.02 -0.50 0.86 2.35 -1.98 0.27 115.58 115.55 1jsa h ASN 119 Ca -0.00 0.04 0.10 0.00 -0.55 0.00 0.00 56.30 55.88 1jsa h ASN 119 Cb 0.18 0.26 -0.09 0.00 0.05 0.00 0.00 38.32 38.72 1jsa h ASN 119 CO 0.01 -0.69 -0.05 -0.33 -1.65 0.00 0.00 177.43 174.72 1jsa h GLU 120 N -1.29 0.06 -0.87 0.81 5.08 -1.85 -0.42 114.58 116.10 1jsa h GLU 120 Ca -0.12 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1jsa h GLU 120 Cb 0.92 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 1jsa h GLU 120 CO 0.20 0.04 0.50 0.28 -1.00 0.00 0.00 179.01 179.03 1jsa h VAL 121 N 0.07 1.25 -0.87 3.13 2.07 -1.42 -2.32 116.25 118.15 1jsa h VAL 121 Ca 0.25 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1jsa h VAL 121 Cb 0.38 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1jsa h VAL 121 CO -0.46 0.27 0.57 -0.07 0.02 0.00 0.00 177.57 177.90 1jsa h LEU 122 N 1.21 0.90 0.52 2.57 3.38 0.12 0.67 115.31 124.68 1jsa h LEU 122 Ca 0.31 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1jsa h LEU 122 Cb -0.00 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.56 1jsa h LEU 122 CO -0.05 0.60 -0.25 -0.08 0.09 0.00 0.00 178.44 178.75 1jsa h GLU 123 N 1.04 -0.67 -0.39 1.13 4.57 -0.79 -0.75 114.58 118.72 1jsa h GLU 123 Ca 0.36 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.65 1jsa h GLU 123 Cb 0.11 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1jsa h GLU 123 CO -0.12 -0.37 0.26 0.82 -1.18 0.00 0.00 179.01 178.42 1jsa h ILE 124 N -0.91 0.92 0.20 2.32 1.08 -1.26 0.21 117.51 120.07 1jsa h ILE 124 Ca -0.07 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1jsa h ILE 124 Cb 0.61 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1jsa h ILE 124 CO 0.12 0.04 -0.10 0.58 -0.69 0.00 0.00 178.15 178.10 1jsa h VAL 125 N 0.22 0.00 -0.95 1.67 2.07 -0.57 -1.78 116.25 116.92 1jsa h VAL 125 Ca 0.17 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.73 1jsa h VAL 125 Cb 0.41 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 1jsa h VAL 125 CO -0.03 0.00 0.56 0.74 0.02 0.00 0.00 177.57 178.86 1jsa h THR 126 N -0.38 0.82 -0.27 2.57 2.02 -0.99 -0.90 112.91 115.77 1jsa h THR 126 Ca -0.03 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 66.93 1jsa h THR 126 Cb 0.21 -0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.47 1jsa h THR 126 CO 0.04 0.15 -0.14 0.00 0.37 0.00 0.00 175.52 175.95 1jsa h ALA 127 N 1.56 0.08 -0.00 6.16 0.00 -0.61 -2.08 119.26 124.37 1jsa h ALA 127 Ca 0.50 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.53 1jsa h ALA 127 Cb 0.62 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1jsa h ALA 127 CO -0.32 -0.54 -0.13 0.82 0.00 0.00 0.00 179.25 179.08 1jsa h ILE 128 N -0.10 0.67 -1.29 0.00 2.04 -0.25 0.30 117.51 118.87 1jsa h ILE 128 Ca 0.14 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.38 1jsa h ILE 128 Cb 0.32 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1jsa h ILE 128 CO -0.33 0.00 0.91 -0.26 0.00 0.00 0.00 178.15 178.47 1jsa h PHE 129 N -0.22 0.09 -0.27 1.37 0.04 -0.78 0.99 116.94 118.15 1jsa h PHE 129 Ca 0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1jsa h PHE 129 Cb 0.29 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 1jsa h PHE 129 CO -0.19 -0.00 -0.02 -0.22 -0.60 0.00 0.00 178.31 177.28 1jsa h LYS 130 N 0.04 0.49 0.00 1.51 1.63 -0.30 -1.55 116.57 118.39 1jsa h LYS 130 Ca 0.63 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1jsa h LYS 130 Cb 2.41 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 34.00 1jsa h LYS 130 CO -0.05 0.66 0.00 1.98 -3.45 0.00 0.00 179.45 178.59 1jsa h MET 131 N 0.27 0.00 -4.00 1.90 1.85 0.13 -3.22 114.93 111.86 1jsa h MET 131 Ca 0.08 0.00 -0.77 0.00 -0.61 0.00 0.00 59.70 58.40 1jsa h MET 131 Cb 0.45 0.00 -0.25 0.00 0.43 0.00 0.00 31.60 32.23 1jsa h MET 131 CO 0.02 0.00 -0.12 0.42 -0.40 0.00 0.00 176.91 176.82 1jsa s ILE 132 N -3.56 5.24 0.71 1.77 1.01 -0.59 -4.43 121.20 121.36 1jsa s ILE 132 Ca -0.02 -1.90 -0.16 0.00 0.00 0.00 0.00 60.65 58.57 1jsa s ILE 132 Cb 0.07 -4.32 -0.00 0.00 0.01 0.00 0.00 42.46 38.22 1jsa s ILE 132 CO 0.22 -0.92 0.94 -1.20 0.00 0.00 0.00 174.94 173.98 1jsa n SER 133 N 4.73 0.39 -0.26 3.58 7.64 -1.26 -4.60 113.62 123.83 1jsa n SER 133 Ca -0.03 0.67 0.04 0.00 1.01 0.00 0.00 58.87 60.56 1jsa n SER 133 Cb 0.42 -1.39 0.17 0.00 -1.01 0.00 0.00 64.21 62.41 1jsa n SER 133 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1jsa h PRO 134 N -0.20 0.57 -1.18 1.43 0.11 -1.93 -0.28 132.00 130.51 1jsa h PRO 134 Ca -0.47 -0.03 0.37 0.00 0.11 0.00 0.00 66.00 65.97 1jsa h PRO 134 Cb 1.34 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 1jsa h PRO 134 CO 0.47 0.37 0.75 0.93 -0.21 0.00 0.00 178.00 180.31 1jsa h GLU 135 N 0.58 0.20 0.05 1.05 4.39 -2.02 0.26 114.58 119.09 1jsa h GLU 135 Ca 0.40 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.76 1jsa h GLU 135 Cb 0.50 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1jsa h GLU 135 CO -0.32 0.13 -1.86 -0.25 -1.16 0.00 0.00 179.01 175.54 1jsa n ASP 136 N -4.74 1.40 0.00 1.42 9.92 -0.24 -3.89 116.55 120.41 1jsa n ASP 136 Ca 0.33 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 1jsa n ASP 136 Cb 1.21 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 1jsa n ASP 136 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1jsa n THR 137 N -3.22 0.87 0.77 -3.53 -1.04 0.91 0.14 114.28 109.18 1jsa n THR 137 Ca -0.24 0.44 0.06 0.00 -2.04 0.00 0.00 64.05 62.27 1jsa n THR 137 Cb 1.05 -1.44 0.17 0.00 -1.82 0.00 0.00 70.33 68.29 1jsa n THR 137 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1jsa n LYS 138 N -1.19 1.93 -0.08 -2.82 4.76 -1.10 -4.25 118.16 115.43 1jsa n LYS 138 Ca 0.00 -1.35 -0.13 0.00 -2.87 0.00 0.00 58.31 53.96 1jsa n LYS 138 Cb 0.22 -1.33 -0.04 0.00 -1.84 0.00 0.00 35.03 32.04 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1jsa n HIS 139 N 0.57 0.00 -0.86 2.13 8.25 0.37 -5.01 115.22 120.67 1jsa n HIS 139 Ca 0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.25 1jsa n HIS 139 Cb 0.34 -0.53 0.10 0.00 1.12 0.00 0.00 29.99 31.02 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 -4.13 -1.40 -4.27 2.41 7.99 -1.26 -4.92 117.00 111.42 1jsa n LEU 140 Ca -0.23 0.31 -0.28 0.00 -0.01 0.00 0.00 56.01 55.80 1jsa n LEU 140 Cb 0.55 -1.11 0.24 0.00 -0.11 0.00 0.00 43.42 43.00 1jsa n LEU 140 CO 0.11 -4.12 0.19 -2.65 -1.51 0.00 0.00 177.39 169.40 1jsa n PRO 141 N -0.77 -3.24 -0.06 3.23 -0.01 -1.26 -4.97 135.00 127.92 1jsa n PRO 141 Ca 0.05 -0.94 -0.22 0.00 -0.01 0.00 0.00 63.50 62.38 1jsa n PRO 141 Cb 0.54 -1.88 -0.13 0.00 -0.01 0.00 0.00 33.50 32.02 1jsa n PRO 141 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1jsa n GLU 142 N -4.29 0.67 0.00 -0.52 1.02 -1.26 -4.02 120.64 112.24 1jsa n GLU 142 Ca 0.06 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1jsa n GLU 142 Cb 0.55 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1jsa n GLU 142 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jsa n ASP 143 N -3.76 0.22 -2.72 1.62 2.03 -1.26 -3.46 116.55 109.23 1jsa n ASP 143 Ca -0.37 -0.76 -0.06 0.00 0.52 0.00 0.00 54.79 54.12 1jsa n ASP 143 Cb 0.93 -0.11 0.05 0.00 -0.72 0.00 0.00 41.12 41.28 1jsa n ASP 143 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jsa n GLU 144 N -0.04 0.48 0.00 -0.67 2.13 -1.26 -4.90 120.64 116.39 1jsa n GLU 144 Ca 0.00 -1.32 0.00 0.00 0.66 0.00 0.00 57.16 56.50 1jsa n GLU 144 Cb 0.05 -0.91 0.00 0.00 0.27 0.00 0.00 31.44 30.85 1jsa n GLU 144 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1jsa n ASN 145 N 1.78 0.01 -4.87 4.31 5.15 -1.22 -4.43 115.26 115.99 1jsa n ASN 145 Ca 0.07 -0.09 -0.21 0.00 -0.60 0.00 0.00 54.58 53.76 1jsa n ASN 145 Cb 0.65 0.17 -0.03 0.00 -0.53 0.00 0.00 39.78 40.04 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jsa s THR 146 N -0.17 4.17 0.10 -0.44 -4.23 -1.26 -4.99 115.64 108.81 1jsa s THR 146 Ca 0.00 -1.29 -0.25 0.00 -1.18 0.00 0.00 61.69 58.97 1jsa s THR 146 Cb 0.00 -3.38 -0.12 0.00 1.34 0.00 0.00 72.50 70.34 1jsa s THR 146 CO 0.00 -0.26 1.69 1.55 -0.54 0.00 0.00 174.62 177.06 1jsa h PRO 147 N 1.29 -0.26 -0.50 3.99 0.13 -1.98 -0.34 132.00 134.34 1jsa h PRO 147 Ca -0.47 0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 1jsa h PRO 147 Cb 1.25 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1jsa h PRO 147 CO 0.59 -0.17 -0.10 1.49 -0.23 0.00 0.00 178.00 179.57 1jsa h GLU 148 N -0.26 0.95 -0.37 0.86 4.22 -1.97 0.78 114.58 118.79 1jsa h GLU 148 Ca 0.01 -0.36 0.03 0.00 0.08 0.00 0.00 59.36 59.12 1jsa h GLU 148 Cb 0.25 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1jsa h GLU 148 CO -0.03 1.02 0.25 0.87 -2.18 0.00 0.00 179.01 178.94 1jsa h LYS 149 N 0.81 0.35 0.00 1.92 1.57 -1.89 -1.55 116.57 117.79 1jsa h LYS 149 Ca 0.13 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.64 1jsa h LYS 149 Cb 0.66 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1jsa h LYS 149 CO 0.05 0.23 -1.32 -2.13 -0.57 0.00 0.00 179.45 175.71 1jsa n ARG 150 N -4.48 0.57 -0.39 3.15 0.63 -0.16 -3.47 116.66 112.50 1jsa n ARG 150 Ca 0.04 0.56 0.37 0.00 -0.92 0.00 0.00 57.85 57.90 1jsa n ARG 150 Cb 0.17 -1.74 0.74 0.00 0.45 0.00 0.00 32.46 32.08 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 -0.51 3.15 0.00 5.13 0.00 0.67 2.56 119.26 130.27 1jsa h ALA 151 Ca -0.37 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1jsa h ALA 151 Cb 1.33 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1jsa h ALA 151 CO -0.22 -1.55 -0.67 1.49 0.00 0.00 0.00 179.25 178.30 1jsa h GLU 152 N 0.04 0.00 -0.36 0.00 4.81 -1.41 -2.24 114.58 115.43 1jsa h GLU 152 Ca 0.64 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.73 1jsa h GLU 152 Cb 2.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.85 1jsa h GLU 152 CO -0.05 0.67 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.32 1jsa h LYS 153 N 0.00 0.87 0.00 1.92 3.11 0.44 -1.45 116.57 121.45 1jsa h LYS 153 Ca -0.01 -0.46 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1jsa h LYS 153 Cb 1.36 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.61 1jsa h LYS 153 CO 0.09 1.10 0.00 -0.89 -2.81 0.00 0.00 179.45 176.94 1jsa n ILE 154 N -4.13 0.00 -0.28 2.00 5.41 -0.62 -1.95 119.36 119.79 1jsa n ILE 154 Ca -0.03 0.78 0.34 0.00 1.00 0.00 0.00 62.75 64.84 1jsa n ILE 154 Cb 0.52 -1.75 0.67 0.00 -0.71 0.00 0.00 39.64 38.37 1jsa n ILE 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1jsa h TRP 155 N 0.00 0.00 -0.09 1.39 2.91 -1.55 1.53 115.95 120.14 1jsa h TRP 155 Ca 0.00 0.00 -0.19 0.00 1.13 0.00 0.00 58.89 59.83 1jsa h TRP 155 Cb 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1jsa h TRP 155 CO 0.07 0.00 -0.75 0.78 -1.03 0.00 0.00 178.44 177.51 1jsa h GLY 156 N 0.00 0.52 1.32 2.65 0.00 -1.27 -2.81 103.07 103.48 1jsa h GLY 156 Ca 0.54 -0.74 0.09 0.00 0.00 0.00 0.00 47.33 47.21 1jsa h GLY 156 CO -0.01 0.66 0.27 0.74 0.00 0.00 0.00 176.54 178.20 1jsa h PHE 157 N 0.32 0.14 0.00 5.60 0.04 0.29 -3.15 116.94 120.17 1jsa h PHE 157 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1jsa h PHE 157 Cb 1.34 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1jsa h PHE 157 CO 0.05 0.07 -0.00 0.74 -0.60 0.00 0.00 178.31 178.57 1jsa h PHE 158 N 0.13 0.00 -3.37 -0.55 0.04 -1.45 -3.51 116.94 108.23 1jsa h PHE 158 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1jsa h PHE 158 Cb 0.53 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1jsa h PHE 158 CO -0.00 0.00 -0.48 0.41 -0.60 0.00 0.00 178.31 177.64 1jsa n GLY 159 N 1.94 -3.88 3.22 -1.45 0.00 -1.07 -5.10 105.19 98.85 1jsa n GLY 159 Ca -0.00 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.18 1.16 0.00 1.61 1.02 -1.26 -5.14 119.74 115.95 1jsa s LYS 160 Ca -0.06 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.38 1jsa s LYS 160 Cb 0.00 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1jsa s LYS 160 CO 0.15 -0.38 0.00 1.63 -0.92 0.00 0.00 175.35 175.83 1jsa n LYS 161 N -0.24 -0.31 -0.03 1.68 4.76 -1.26 -4.78 118.16 117.98 1jsa n LYS 161 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1jsa n LYS 161 Cb 0.65 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.82 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1jsa h ASP 162 N -0.56 -0.44 0.00 4.39 5.19 -2.06 -2.18 116.42 120.75 1jsa h ASP 162 Ca 0.00 0.06 -0.41 0.00 -0.62 0.00 0.00 57.03 56.05 1jsa h ASP 162 Cb 0.00 0.18 0.03 0.00 0.18 0.00 0.00 39.33 39.72 1jsa h ASP 162 CO 0.00 -0.09 2.30 -0.67 -3.12 0.00 0.00 179.24 177.66 1jsa n ASP 163 N -3.34 3.59 -3.23 6.45 2.03 -1.26 -4.71 116.55 116.08 1jsa n ASP 163 Ca -0.01 -2.38 -0.37 0.00 0.52 0.00 0.00 54.79 52.55 1jsa n ASP 163 Cb 0.08 -1.01 -0.04 0.00 -0.72 0.00 0.00 41.12 39.43 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 5.33 8.48 -4.52 1.67 5.68 -0.82 -4.88 116.55 127.48 1jsa n ASP 164 Ca 0.41 -2.61 -0.43 0.00 -0.50 0.00 0.00 54.79 51.66 1jsa n ASP 164 Cb 0.20 -1.53 -0.05 0.00 -1.14 0.00 0.00 41.12 38.59 1jsa n ASP 164 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jsa s LYS 165 N 1.82 3.34 0.05 0.11 3.01 -1.26 -4.86 119.74 121.95 1jsa s LYS 165 Ca 0.69 -0.26 -0.31 0.00 -1.01 0.00 0.00 55.97 55.08 1jsa s LYS 165 Cb 0.19 -4.00 -0.05 0.00 -1.01 0.00 0.00 37.83 32.96 1jsa s LYS 165 CO -0.06 -1.26 1.17 -1.17 0.51 0.00 0.00 175.35 174.54 1jsa s LEU 166 N 3.44 4.37 0.28 3.17 2.96 -1.07 -4.77 118.68 127.06 1jsa s LEU 166 Ca 0.28 1.97 0.09 0.00 -0.22 0.00 0.00 54.13 56.24 1jsa s LEU 166 Cb -0.13 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1jsa s LEU 166 CO 0.20 -0.44 0.09 0.42 -1.32 0.00 0.00 176.35 175.30 1jsa s THR 167 N 1.05 3.65 0.59 3.68 -4.23 -1.26 0.01 115.64 119.13 1jsa s THR 167 Ca 0.58 -1.71 0.29 0.00 -1.18 0.00 0.00 61.69 59.66 1jsa s THR 167 Cb -0.28 -3.04 0.37 0.00 1.34 0.00 0.00 72.50 70.89 1jsa s THR 167 CO 0.29 -0.32 2.00 -0.33 -0.54 0.00 0.00 174.62 175.72 1jsa h GLU 168 N 1.69 0.00 0.41 3.99 5.08 -1.96 0.73 114.58 124.51 1jsa h GLU 168 Ca -0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1jsa h GLU 168 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1jsa h GLU 168 CO 0.61 0.00 -0.19 0.87 -1.00 0.00 0.00 179.01 179.29 1jsa h LYS 169 N 0.00 -0.52 -0.02 2.33 1.57 -1.96 -3.20 116.57 114.77 1jsa h LYS 169 Ca 0.15 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1jsa h LYS 169 Cb 0.81 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1jsa h LYS 169 CO -0.00 -0.35 -0.35 0.93 -0.57 0.00 0.00 179.45 179.11 1jsa h GLU 170 N -0.65 0.03 -0.51 3.15 4.39 -1.90 -2.45 114.58 116.65 1jsa h GLU 170 Ca -0.06 -0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.78 1jsa h GLU 170 Cb 0.42 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1jsa h GLU 170 CO 0.09 0.38 0.68 0.35 -1.16 0.00 0.00 179.01 179.35 1jsa h PHE 171 N 0.03 0.00 0.00 4.33 3.04 -0.86 1.03 116.94 124.51 1jsa h PHE 171 Ca 0.00 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.66 1jsa h PHE 171 Cb 0.63 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.09 1jsa h PHE 171 CO 0.00 0.00 -1.72 -0.89 -2.02 0.00 0.00 178.31 173.68 1jsa n ILE 172 N -3.40 1.61 -0.05 1.41 5.41 -0.92 -4.14 119.36 119.27 1jsa n ILE 172 Ca 0.10 -0.79 -0.14 0.00 1.00 0.00 0.00 62.75 62.92 1jsa n ILE 172 Cb 0.86 -1.05 -0.12 0.00 -0.71 0.00 0.00 39.64 38.63 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 0.00 -0.00 -1.15 0.38 4.39 0.89 -1.88 114.58 117.22 1jsa h GLU 173 Ca -0.29 0.00 0.40 0.00 0.34 0.00 0.00 59.36 59.81 1jsa h GLU 173 Cb 2.02 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.52 1jsa h GLU 173 CO 0.08 0.85 0.69 0.78 -1.16 0.00 0.00 179.01 180.25 1jsa h GLY 174 N -0.86 1.77 1.22 -3.84 0.00 -0.81 1.75 103.07 102.30 1jsa h GLY 174 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1jsa h GLY 174 CO 0.00 -0.54 -1.00 0.00 0.00 0.00 0.00 176.54 175.01 1jsa h THR 175 N 0.13 0.29 -0.10 4.70 1.03 -1.71 -3.14 112.91 114.11 1jsa h THR 175 Ca 0.80 -1.52 -0.01 0.00 -0.01 0.00 0.00 66.41 65.67 1jsa h THR 175 Cb 2.24 1.86 -0.01 0.00 -1.07 0.00 0.00 68.15 71.18 1jsa h THR 175 CO -0.56 0.17 -0.00 0.25 -0.01 0.00 0.00 175.52 175.36 1jsa h LEU 176 N 0.00 0.12 0.00 0.00 5.85 0.35 -3.22 115.31 118.42 1jsa h LEU 176 Ca -0.06 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1jsa h LEU 176 Cb 1.27 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1jsa h LEU 176 CO 0.03 0.15 -0.68 0.00 -0.34 0.00 0.00 178.44 177.60 1jsa h ALA 177 N 1.87 0.08 -2.19 1.25 0.00 -1.49 -3.45 119.26 115.33 1jsa h ALA 177 Ca 0.03 -0.68 -0.60 0.00 0.00 0.00 0.00 54.91 53.66 1jsa h ALA 177 Cb 0.10 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1jsa h ALA 177 CO 0.00 0.50 0.48 1.21 0.00 0.00 0.00 179.25 181.44 1jsa s ASN 178 N -6.09 6.72 0.28 0.00 3.84 -1.19 -4.90 114.94 113.60 1jsa s ASN 178 Ca -0.18 0.74 0.14 0.00 0.21 0.00 0.00 52.86 53.77 1jsa s ASN 178 Cb 0.03 -2.43 0.25 0.00 -0.55 0.00 0.00 41.25 38.55 1jsa s ASN 178 CO 0.33 -0.66 1.53 0.50 -2.79 0.00 0.00 177.10 176.01 1jsa h LYS 179 N 8.10 0.00 -0.54 0.43 1.63 -1.87 -3.23 116.57 121.08 1jsa h LYS 179 Ca -0.24 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.51 1jsa h LYS 179 Cb 1.09 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.70 1jsa h LYS 179 CO 0.91 0.58 0.14 1.49 -3.45 0.00 0.00 179.45 179.12 1jsa h GLU 180 N 0.00 0.86 -0.92 1.90 4.81 -1.91 -2.84 114.58 116.48 1jsa h GLU 180 Ca -0.01 -0.20 0.26 0.00 -0.13 0.00 0.00 59.36 59.29 1jsa h GLU 180 Cb 1.26 -0.12 -0.15 0.00 0.63 0.00 0.00 28.75 30.38 1jsa h GLU 180 CO 0.07 0.81 0.26 0.82 -0.73 0.00 0.00 179.01 180.24 1jsa h ILE 181 N 0.76 0.24 0.00 2.32 2.04 -1.91 -0.52 117.51 120.45 1jsa h ILE 181 Ca 0.17 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1jsa h ILE 181 Cb 0.33 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1jsa h ILE 181 CO 0.00 0.03 0.00 -0.11 0.00 0.00 0.00 178.15 178.07 1jsa n LEU 182 N -5.25 0.00 0.00 1.44 -0.00 -1.07 -0.58 117.00 111.54 1jsa n LEU 182 Ca 0.24 0.96 0.00 0.00 -0.00 0.00 0.00 56.01 57.21 1jsa n LEU 182 Cb 0.78 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1jsa n LEU 182 CO 0.04 -0.46 0.37 0.54 -0.00 0.00 0.00 177.39 177.88 1jsa n ARG 183 N -1.97 0.00 0.00 1.96 5.12 -0.82 -1.84 116.66 119.10 1jsa n ARG 183 Ca 0.00 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1jsa n ARG 183 Cb 0.00 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 1jsa n ARG 183 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1jsa n LEU 184 N -1.10 0.45 0.00 0.55 -0.00 -0.26 -4.31 117.00 112.32 1jsa n LEU 184 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1jsa n LEU 184 Cb 0.13 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1jsa n LEU 184 CO 0.00 -0.17 0.15 2.30 -0.00 0.00 0.00 177.39 179.67 1jsa n ILE 185 N -1.65 0.00 -2.02 1.96 -5.35 0.26 -4.54 119.36 108.02 1jsa n ILE 185 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 1jsa n ILE 185 Cb 0.00 -0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 36.98 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 -1.72 3.23 -0.13 6.28 0.74 -0.77 -4.90 119.66 122.39 1jsa s GLN 186 Ca 0.00 1.29 -0.29 0.00 0.05 0.00 0.00 55.36 56.41 1jsa s GLN 186 Cb 0.00 -4.22 -0.06 0.00 1.10 0.00 0.00 33.01 29.83 1jsa s GLN 186 CO 0.00 -1.99 2.14 -0.59 -0.55 0.00 0.00 175.29 174.30 1jsa s PHE 187 N 7.21 1.20 0.00 1.67 -0.71 -1.26 -5.04 117.98 121.04 1jsa s PHE 187 Ca 0.77 0.20 0.00 0.00 -1.04 0.00 0.00 56.93 56.86 1jsa s PHE 187 Cb -0.20 -4.04 0.00 0.00 -1.21 0.00 0.00 43.02 37.57 1jsa s PHE 187 CO 0.32 -4.60 0.00 -1.91 -1.34 0.00 0.00 175.22 167.69