#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 0.49 -2.08 1.61 3.02 -1.26 -5.02 115.26 112.02 1jsa n ASN 2 Ca 0.00 0.19 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 1jsa n ASN 2 Cb 0.00 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.01 1jsa n ASN 2 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1jsa n SER 3 N -1.81 -6.56 -4.38 6.41 7.64 -1.26 -4.92 113.62 108.73 1jsa n SER 3 Ca 0.05 1.36 -0.32 0.00 1.01 0.00 0.00 58.87 60.97 1jsa n SER 3 Cb 0.38 -4.22 0.18 0.00 -1.01 0.00 0.00 64.21 59.54 1jsa n SER 3 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jsa n LYS 4 N 1.38 -1.40 -0.28 1.43 5.02 -1.26 -4.95 118.16 118.09 1jsa n LYS 4 Ca -0.06 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 1jsa n LYS 4 Cb 0.09 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1jsa n LYS 4 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jsa n SER 5 N -2.52 0.00 -2.96 4.39 7.64 -1.26 -4.93 113.62 113.98 1jsa n SER 5 Ca 0.03 -1.29 -0.33 0.00 1.01 0.00 0.00 58.87 58.29 1jsa n SER 5 Cb 0.58 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 6 N 0.00 4.81 0.00 0.23 0.00 -1.26 -4.01 105.19 104.96 1jsa n GLY 6 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 1.18 0.00 -0.61 4.61 0.00 -1.26 -5.13 120.51 119.30 1jsa n ALA 7 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1jsa n ALA 7 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.50 0.00 0.00 0.00 4.77 -1.26 -4.72 117.00 115.30 1jsa n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jsa n LEU 8 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jsa n LEU 8 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.82 1jsa n SER 9 N 3.67 0.00 -0.45 -1.43 2.88 -1.26 -1.92 113.62 115.11 1jsa n SER 9 Ca 0.00 0.00 0.35 0.00 -1.33 0.00 0.00 58.87 57.89 1jsa n SER 9 Cb 0.00 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.02 1jsa n SER 9 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jsa n LYS 10 N 0.00 -0.01 0.04 -1.46 5.02 -1.26 0.31 118.16 120.79 1jsa n LYS 10 Ca 0.00 0.85 -0.21 0.00 -2.02 0.00 0.00 58.31 56.93 1jsa n LYS 10 Cb 0.00 -1.83 -0.14 0.00 -0.02 0.00 0.00 35.03 33.04 1jsa n LYS 10 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1jsa h GLU 11 N 0.00 0.31 0.02 1.97 4.57 -1.75 -3.31 114.58 116.39 1jsa h GLU 11 Ca 0.67 -0.53 -0.28 0.00 -1.18 0.00 0.00 59.36 58.04 1jsa h GLU 11 Cb 2.48 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 31.23 1jsa h GLU 11 CO -0.16 1.23 -1.54 -0.89 -1.18 0.00 0.00 179.01 176.47 1jsa n ILE 12 N -3.51 1.57 -0.27 2.32 5.41 0.51 -3.99 119.36 121.40 1jsa n ILE 12 Ca -0.27 -0.17 0.28 0.00 1.00 0.00 0.00 62.75 63.59 1jsa n ILE 12 Cb 1.06 -1.97 0.66 0.00 -0.71 0.00 0.00 39.64 38.68 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 -0.82 0.16 -0.83 1.39 3.38 0.45 2.12 115.31 121.16 1jsa h LEU 13 Ca -0.41 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1jsa h LEU 13 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1jsa h LEU 13 CO -0.19 0.04 0.33 1.21 0.09 0.00 0.00 178.44 179.92 1jsa n GLU 14 N -4.36 0.09 0.00 1.13 2.13 -1.23 0.31 120.64 118.71 1jsa n GLU 14 Ca 0.23 0.57 0.13 0.00 0.66 0.00 0.00 57.16 58.74 1jsa n GLU 14 Cb 1.01 -2.11 0.34 0.00 0.27 0.00 0.00 31.44 30.94 1jsa n GLU 14 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1jsa n GLU 15 N -2.05 0.20 -0.49 5.31 -0.58 0.72 -4.29 120.64 119.46 1jsa n GLU 15 Ca -0.01 -0.10 0.38 0.00 -0.42 0.00 0.00 57.16 57.00 1jsa n GLU 15 Cb 0.35 -1.50 0.58 0.00 -0.57 0.00 0.00 31.44 30.30 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 -1.31 0.00 0.18 -4.62 -0.00 0.92 -0.22 117.00 111.95 1jsa n LEU 16 Ca 0.07 0.72 -0.07 0.00 -0.00 0.00 0.00 56.01 56.73 1jsa n LEU 16 Cb 0.33 -0.35 -0.04 0.00 -0.00 0.00 0.00 43.42 43.37 1jsa n LEU 16 CO 0.32 -0.72 0.28 1.56 -0.00 0.00 0.00 177.39 178.83 1jsa h GLN 17 N 0.00 -0.47 0.32 1.47 4.20 -1.79 -3.39 115.11 115.45 1jsa h GLN 17 Ca 0.66 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.39 1jsa h GLN 17 Cb 2.75 0.11 0.00 0.00 0.30 0.00 0.00 27.48 30.64 1jsa h GLN 17 CO -0.01 -0.31 -0.15 -0.07 -0.67 0.00 0.00 178.83 177.62 1jsa h LEU 18 N -0.81 -0.36-10.55 1.46 3.38 -0.92 -3.45 115.31 104.05 1jsa h LEU 18 Ca -0.05 0.01 -0.45 0.00 0.09 0.00 0.00 57.88 57.48 1jsa h LEU 18 Cb 0.37 0.09 0.07 0.00 0.09 0.00 0.00 40.66 41.29 1jsa h LEU 18 CO 0.08 -0.23 0.19 0.54 0.09 0.00 0.00 178.44 179.11 1jsa s ASN 19 N -2.92 4.91 -0.60 -0.43 2.20 -0.76 -4.91 114.94 112.43 1jsa s ASN 19 Ca -0.06 0.40 0.04 0.00 -0.94 0.00 0.00 52.86 52.30 1jsa s ASN 19 Cb 0.01 -1.10 0.16 0.00 -2.00 0.00 0.00 41.25 38.32 1jsa s ASN 19 CO 0.19 -1.51 0.40 -0.89 -2.94 0.00 0.00 177.10 172.35 1jsa s THR 20 N -3.17 2.25 0.42 0.54 2.01 -1.26 -4.25 115.64 112.18 1jsa s THR 20 Ca 0.59 -3.65 -0.19 0.00 0.31 0.00 0.00 61.69 58.76 1jsa s THR 20 Cb -0.11 -2.51 -0.14 0.00 0.01 0.00 0.00 72.50 69.75 1jsa s THR 20 CO 0.44 -1.00 -0.01 2.29 -0.69 0.00 0.00 174.62 175.66 1jsa n LYS 21 N 2.49 0.00 -0.17 4.92 -0.00 -1.26 -4.24 118.16 119.90 1jsa n LYS 21 Ca 0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.42 1jsa n LYS 21 Cb 0.36 -0.94 0.09 0.00 -0.00 0.00 0.00 35.03 34.54 1jsa n LYS 21 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1jsa h PHE 22 N 0.17 1.03 0.00 5.58 -1.00 -1.94 -3.45 116.94 117.32 1jsa h PHE 22 Ca -0.36 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.25 1jsa h PHE 22 Cb 1.36 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1jsa h PHE 22 CO 0.25 0.92 0.00 -2.37 -1.61 0.00 0.00 178.31 175.50 1jsa n THR 23 N -4.19 0.00 0.10 -1.55 5.66 -1.26 -4.98 114.28 108.06 1jsa n THR 23 Ca 0.03 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.05 1jsa n THR 23 Cb 0.33 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.20 1jsa n THR 23 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jsa n GLU 24 N 0.00 0.03 0.17 1.09 -0.00 -1.26 0.25 120.64 120.92 1jsa n GLU 24 Ca 0.00 0.36 0.10 0.00 -0.00 0.00 0.00 57.16 57.61 1jsa n GLU 24 Cb 0.00 -2.07 0.09 0.00 -0.00 0.00 0.00 31.44 29.46 1jsa n GLU 24 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1jsa h GLU 25 N 0.00 0.00 0.08 3.44 4.57 -2.00 -3.35 114.58 117.32 1jsa h GLU 25 Ca 0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.93 1jsa h GLU 25 Cb 0.96 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1jsa h GLU 25 CO 0.00 0.10 -1.31 1.49 -1.18 0.00 0.00 179.01 178.11 1jsa h GLU 26 N 0.00 0.17 0.00 1.92 4.81 0.30 -3.32 114.58 118.46 1jsa h GLU 26 Ca -0.01 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1jsa h GLU 26 Cb 1.10 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1jsa h GLU 26 CO 0.01 1.14 0.00 1.28 -0.73 0.00 0.00 179.01 180.71 1jsa n LEU 27 N -4.06 0.00 -0.08 1.64 4.32 -1.16 -2.16 117.00 115.50 1jsa n LEU 27 Ca -0.26 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.63 1jsa n LEU 27 Cb 0.83 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.58 1jsa n LEU 27 CO 0.36 0.00 -0.39 0.28 -1.22 0.00 0.00 177.39 176.41 1jsa h SER 28 N 0.00 0.00 -0.37 -1.43 0.02 -1.73 -3.39 113.55 106.66 1jsa h SER 28 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1jsa h SER 28 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jsa h SER 28 CO 0.00 0.99 0.00 -1.54 -1.14 0.00 0.00 176.83 175.14 1jsa n SER 29 N -4.56 1.99 0.08 3.07 3.41 -0.92 -3.95 113.62 112.74 1jsa n SER 29 Ca -0.15 -2.00 -0.16 0.00 -0.26 0.00 0.00 58.87 56.30 1jsa n SER 29 Cb 0.40 -0.25 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 1jsa n SER 29 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1jsa h TRP 30 N 2.18 0.45 0.34 7.33 2.91 -1.68 -2.54 115.95 124.92 1jsa h TRP 30 Ca 0.00 -0.33 -0.02 0.00 1.13 0.00 0.00 58.89 59.68 1jsa h TRP 30 Cb 0.50 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 1jsa h TRP 30 CO 0.25 1.31 -0.16 -0.92 -1.03 0.00 0.00 178.44 177.88 1jsa h TYR 31 N 0.07 -0.42 -0.05 2.65 3.20 -1.78 -2.51 116.97 118.14 1jsa h TYR 31 Ca -0.18 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.66 1jsa h TYR 31 Cb 1.99 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 40.39 1jsa h TYR 31 CO 0.06 -0.20 -0.04 -0.56 -1.64 0.00 0.00 178.16 175.78 1jsa h GLN 32 N -0.54 0.11 -0.32 1.82 3.07 -1.80 -2.75 115.11 114.70 1jsa h GLN 32 Ca -0.05 -0.06 0.09 0.00 0.09 0.00 0.00 58.65 58.73 1jsa h GLN 32 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.95 1jsa h GLN 32 CO 0.08 0.55 0.64 1.03 0.09 0.00 0.00 178.83 181.22 1jsa h SER 33 N -0.33 0.00 0.59 0.06 0.87 -1.48 1.11 113.55 114.37 1jsa h SER 33 Ca 0.01 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.29 1jsa h SER 33 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1jsa h SER 33 CO 0.01 0.00 -1.35 0.15 -0.53 0.00 0.00 176.83 175.11 1jsa h PHE 34 N 0.00 0.42 -0.01 2.24 3.57 -1.15 -2.63 116.94 119.39 1jsa h PHE 34 Ca 0.15 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1jsa h PHE 34 Cb 1.43 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 1jsa h PHE 34 CO 0.00 1.29 0.01 -0.07 -2.23 0.00 0.00 178.31 177.30 1jsa h LEU 35 N 0.06 0.00 0.23 0.59 3.38 0.14 1.31 115.31 121.02 1jsa h LEU 35 Ca -0.17 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.46 1jsa h LEU 35 Cb 1.97 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.75 1jsa h LEU 35 CO 0.18 0.00 -1.59 0.11 0.09 0.00 0.00 178.44 177.22 1jsa h LYS 36 N 0.00 0.48 0.00 1.13 1.57 -1.49 -3.00 116.57 115.26 1jsa h LYS 36 Ca 0.00 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 57.97 1jsa h LYS 36 Cb 0.01 0.30 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1jsa h LYS 36 CO -0.00 1.39 0.00 0.93 -0.57 0.00 0.00 179.45 181.20 1jsa h GLU 37 N 0.13 0.00 -0.40 3.15 4.39 -0.97 -3.43 114.58 117.45 1jsa h GLU 37 Ca -0.29 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.60 1jsa h GLU 37 Cb 2.14 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 30.59 1jsa h GLU 37 CO 0.24 0.00 -0.03 0.00 -1.16 0.00 0.00 179.01 178.06 1jsa n PRO 39 N 5.27 1.28 0.00 0.00 -0.02 -1.13 -3.97 135.00 136.43 1jsa n PRO 39 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1jsa n PRO 39 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1jsa n PRO 39 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jsa n SER 40 N 0.00 0.00 0.00 2.55 7.64 -1.26 -4.68 113.62 117.87 1jsa n SER 40 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jsa n SER 40 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 41 N 0.00 0.05 3.54 0.23 0.00 -1.26 -5.03 105.19 102.72 1jsa n GLY 41 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.49 0.06 1.61 0.52 -1.26 -3.69 118.95 119.68 1jsa s ARG 42 Ca 0.00 -0.33 -0.22 0.00 -0.52 0.00 0.00 55.73 54.66 1jsa s ARG 42 Cb 0.00 -3.85 -0.06 0.00 0.52 0.00 0.00 34.95 31.56 1jsa s ARG 42 CO 0.00 -0.68 0.66 0.42 0.02 0.00 0.00 175.30 175.72 1jsa s ILE 43 N 2.31 4.71 0.81 1.52 1.01 -0.53 -4.88 121.20 126.14 1jsa s ILE 43 Ca 0.16 1.41 -0.06 0.00 0.00 0.00 0.00 60.65 62.17 1jsa s ILE 43 Cb -0.16 -4.00 0.17 0.00 0.01 0.00 0.00 42.46 38.48 1jsa s ILE 43 CO 0.13 0.47 1.10 0.35 0.00 0.00 0.00 174.94 177.00 1jsa n THR 44 N 2.22 0.00 0.45 2.92 -2.24 -1.26 -2.48 114.28 113.89 1jsa n THR 44 Ca -0.07 -1.37 0.12 0.00 -2.27 0.00 0.00 64.05 60.47 1jsa n THR 44 Cb 0.50 -1.10 0.13 0.00 -2.10 0.00 0.00 70.33 67.76 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 0.00 0.00 -0.78 9.65 -1.98 -2.88 114.38 118.40 1jsa h ARG 45 Ca -0.36 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.26 1jsa h ARG 45 Cb 1.20 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.74 1jsa h ARG 45 CO 0.34 0.00 -1.57 0.37 2.80 0.00 0.00 179.97 181.90 1jsa h GLN 46 N 0.00 0.00 0.00 0.20 4.15 -2.01 -3.36 115.11 114.09 1jsa h GLN 46 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 1jsa h GLN 46 Cb 0.82 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1jsa h GLN 46 CO 0.00 0.52 -1.34 1.49 -1.93 0.00 0.00 178.83 177.57 1jsa h GLU 47 N 0.00 0.00 -0.40 1.69 4.81 -1.97 -3.34 114.58 115.37 1jsa h GLU 47 Ca -0.23 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1jsa h GLU 47 Cb 1.92 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.29 1jsa h GLU 47 CO 0.08 0.24 0.55 0.35 -0.73 0.00 0.00 179.01 179.50 1jsa h PHE 48 N 0.00 0.00 0.00 0.92 3.04 -1.65 0.92 116.94 120.17 1jsa h PHE 48 Ca -0.14 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.79 1jsa h PHE 48 Cb 1.49 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.00 1jsa h PHE 48 CO 0.00 0.00 -0.39 -0.56 -2.02 0.00 0.00 178.31 175.34 1jsa h GLN 49 N 0.00 0.00 0.00 1.11 -0.00 -1.78 -3.13 115.11 111.31 1jsa h GLN 49 Ca 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.79 1jsa h GLN 49 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.75 1jsa h GLN 49 CO -0.00 0.07 -0.26 1.15 -0.00 0.00 0.00 178.83 179.79 1jsa h THR 50 N 0.00 1.15 0.00 1.86 2.02 0.69 -2.60 112.91 116.03 1jsa h THR 50 Ca -0.01 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 1jsa h THR 50 Cb 1.07 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1jsa h THR 50 CO 0.01 0.26 -0.48 0.40 0.37 0.00 0.00 175.52 176.07 1jsa h ILE 51 N 0.00 0.01 -1.51 3.11 2.04 -1.61 -3.34 117.51 116.22 1jsa h ILE 51 Ca -0.00 -1.01 0.44 0.00 1.00 0.00 0.00 64.86 65.28 1jsa h ILE 51 Cb 0.47 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1jsa h ILE 51 CO 0.03 0.00 1.16 0.22 0.00 0.00 0.00 178.15 179.57 1jsa h TYR 52 N -1.00 0.00 -0.05 1.37 3.20 -1.62 1.71 116.97 120.58 1jsa h TYR 52 Ca -0.00 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 1jsa h TYR 52 Cb 0.48 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1jsa h TYR 52 CO -0.20 0.00 -0.62 1.03 -1.64 0.00 0.00 178.16 176.73 1jsa h SER 53 N 0.00 0.21 -0.13 -2.11 0.87 -1.61 -2.88 113.55 107.89 1jsa h SER 53 Ca 0.71 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 61.19 1jsa h SER 53 Cb 3.03 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 64.93 1jsa h SER 53 CO -0.01 0.77 0.23 0.50 -0.53 0.00 0.00 176.83 177.79 1jsa h LYS 54 N 0.13 0.00 0.00 2.24 1.63 0.25 0.30 116.57 121.12 1jsa h LYS 54 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1jsa h LYS 54 Cb 1.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1jsa h LYS 54 CO 0.09 0.00 -1.03 1.19 -3.45 0.00 0.00 179.45 176.25 1jsa n PHE 55 N -3.45 0.17 -3.05 1.91 3.72 -1.09 -4.55 117.46 111.12 1jsa n PHE 55 Ca 0.01 0.05 -0.15 0.00 -0.05 0.00 0.00 57.45 57.30 1jsa n PHE 55 Cb 0.33 -0.34 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.84 -0.77 0.31 1.38 3.72 0.89 -4.92 117.46 116.23 1jsa n PHE 56 Ca 0.02 -3.30 0.20 0.00 -0.05 0.00 0.00 57.45 54.33 1jsa n PHE 56 Cb 0.41 0.21 1.00 0.00 -0.94 0.00 0.00 39.48 40.16 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 3.02 0.00 0.00 -1.08 0.13 -1.32 -3.29 132.00 129.46 1jsa h PRO 57 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1jsa h PRO 57 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1jsa h PRO 57 CO 0.39 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.55 1jsa n GLU 58 N -3.03 0.00 0.00 0.86 1.02 -1.26 -4.82 120.64 113.41 1jsa n GLU 58 Ca -0.02 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1jsa n GLU 58 Cb 0.15 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsa n ALA 59 N -0.75 0.00 -3.14 0.62 0.00 -1.24 -5.01 120.51 110.98 1jsa n ALA 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1jsa n ALA 59 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.25 -0.35 0.00 8.00 -1.22 -4.93 116.55 118.30 1jsa n ASP 60 Ca 0.00 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.53 1jsa n ASP 60 Cb 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jsa n PRO 61 N 0.71 0.26 -0.22 -0.24 -0.04 -1.26 -3.73 135.00 130.47 1jsa n PRO 61 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1jsa n PRO 61 Cb 0.62 -1.09 0.12 0.00 -0.04 0.00 0.00 33.50 33.11 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 0.52 0.50 0.00 0.54 1.79 -1.92 1.18 116.57 119.18 1jsa h LYS 62 Ca 0.00 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1jsa h LYS 62 Cb 0.09 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1jsa h LYS 62 CO 0.00 0.33 -0.43 0.00 -1.08 0.00 0.00 179.45 178.27 1jsa h ALA 63 N 1.41 1.02 0.19 3.86 0.00 -1.89 -2.74 119.26 121.10 1jsa h ALA 63 Ca 0.32 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 1jsa h ALA 63 Cb 0.35 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1jsa h ALA 63 CO -0.27 0.54 -1.48 -0.92 0.00 0.00 0.00 179.25 177.13 1jsa h TYR 64 N 0.00 0.72 0.00 0.00 5.03 -1.22 -3.19 116.97 118.30 1jsa h TYR 64 Ca -0.00 -0.53 -0.01 0.00 2.58 0.00 0.00 58.73 60.77 1jsa h TYR 64 Cb 0.93 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.18 1jsa h TYR 64 CO 0.00 1.48 -0.06 0.00 -1.32 0.00 0.00 178.16 178.26 1jsa h ALA 65 N 0.32 1.05 0.00 1.82 0.00 0.14 -2.02 119.26 120.57 1jsa h ALA 65 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1jsa h ALA 65 Cb 2.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1jsa h ALA 65 CO 0.22 0.07 -0.35 1.96 0.00 0.00 0.00 179.25 181.16 1jsa h GLN 66 N 0.00 0.00 0.18 0.00 4.20 -1.53 -3.32 115.11 114.64 1jsa h GLN 66 Ca -0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 1jsa h GLN 66 Cb 0.44 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.26 1jsa h GLN 66 CO 0.01 0.00 -1.22 0.45 -0.67 0.00 0.00 178.83 177.40 1jsa h HIS 67 N 0.00 0.89 0.00 2.96 3.86 -1.36 -3.17 115.15 118.33 1jsa h HIS 67 Ca 0.00 -0.61 0.00 0.00 -1.16 0.00 0.00 60.37 58.60 1jsa h HIS 67 Cb 0.98 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1jsa h HIS 67 CO 0.00 1.46 0.27 0.28 0.86 0.00 0.00 177.93 180.80 1jsa n VAL 68 N -3.86 0.94 0.00 2.45 0.31 -1.12 -2.45 118.33 114.59 1jsa n VAL 68 Ca -0.15 0.51 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1jsa n VAL 68 Cb 0.98 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1jsa n VAL 68 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1jsa n PHE 69 N -1.29 0.00 0.32 3.52 7.35 -1.20 -2.60 117.46 123.57 1jsa n PHE 69 Ca -0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 1jsa n PHE 69 Cb 0.27 -0.24 0.29 0.00 0.35 0.00 0.00 39.48 40.15 1jsa n PHE 69 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1jsa h ARG 70 N 0.00 0.00 -0.76 -4.13 9.65 -1.72 0.62 114.38 118.04 1jsa h ARG 70 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1jsa h ARG 70 Cb 0.00 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 1jsa h ARG 70 CO 0.00 0.00 0.41 1.03 2.80 0.00 0.00 179.97 184.21 1jsa h SER 71 N 0.00 0.95 -0.79 -3.80 0.87 -1.53 -3.37 113.55 105.88 1jsa h SER 71 Ca 0.01 -0.10 -0.33 0.00 -1.23 0.00 0.00 61.79 60.14 1jsa h SER 71 Cb 1.56 -0.24 -0.29 0.00 -0.44 0.00 0.00 62.40 62.99 1jsa h SER 71 CO -0.00 0.78 -0.84 0.33 -0.53 0.00 0.00 176.83 176.57 1jsa n PHE 72 N -4.44 -0.76 -1.85 2.24 7.35 0.21 -4.70 117.46 115.51 1jsa n PHE 72 Ca 0.07 -2.68 -0.02 0.00 -0.76 0.00 0.00 57.45 54.06 1jsa n PHE 72 Cb 0.10 0.50 -0.02 0.00 0.35 0.00 0.00 39.48 40.41 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 -0.04 -0.26 -1.25 -2.13 2.03 -0.80 -4.92 116.55 109.18 1jsa n ASP 73 Ca 0.09 -1.09 0.09 0.00 0.52 0.00 0.00 54.79 54.41 1jsa n ASP 73 Cb 0.77 0.08 0.29 0.00 -0.72 0.00 0.00 41.12 41.54 1jsa n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jsa n ALA 74 N 0.00 2.61 -0.89 -1.67 0.00 -1.26 -4.14 120.51 115.15 1jsa n ALA 74 Ca -0.07 -1.19 -0.22 0.00 0.00 0.00 0.00 53.44 51.95 1jsa n ALA 74 Cb 0.48 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 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 1.22 5.65 -3.31 0.00 6.94 -1.26 -4.55 115.26 119.95 1jsa n ASN 75 Ca 0.22 -2.36 -0.18 0.00 -0.02 0.00 0.00 54.58 52.23 1jsa n ASN 75 Cb 0.62 -1.21 -0.03 0.00 -2.36 0.00 0.00 39.78 36.80 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jsa n SER 76 N 3.52 -1.81 -0.13 0.53 3.41 -1.26 -4.75 113.62 113.13 1jsa n SER 76 Ca 0.50 -0.23 -0.25 0.00 -0.26 0.00 0.00 58.87 58.63 1jsa n SER 76 Cb 0.34 -1.61 -0.11 0.00 -0.26 0.00 0.00 64.21 62.57 1jsa n SER 76 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jsa n ASP 77 N -1.95 1.97 0.00 4.04 9.92 -1.26 -4.97 116.55 124.29 1jsa n ASP 77 Ca 0.03 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 1jsa n ASP 77 Cb 0.49 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jsa n GLY 78 N 1.66 2.02 3.22 0.44 0.00 -1.26 -4.96 105.19 106.31 1jsa n GLY 78 Ca -0.51 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.39 0.08 -0.27 2.61 -4.23 -1.26 -4.86 115.64 104.31 1jsa s THR 79 Ca 0.00 -0.65 -0.12 0.00 -1.18 0.00 0.00 61.69 59.74 1jsa s THR 79 Cb 0.00 -0.78 -0.05 0.00 1.34 0.00 0.00 72.50 73.02 1jsa s THR 79 CO 0.00 -0.36 0.25 -0.76 -0.54 0.00 0.00 174.62 173.22 1jsa s LEU 80 N -1.75 4.05 0.44 4.79 1.43 -1.03 -4.90 118.68 121.70 1jsa s LEU 80 Ca -0.09 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1jsa s LEU 80 Cb -0.03 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1jsa s LEU 80 CO -0.00 -0.08 0.71 -0.62 0.23 0.00 0.00 176.35 176.59 1jsa s ASP 81 N 1.59 6.25 0.12 2.29 2.15 -1.26 -1.45 116.67 126.35 1jsa s ASP 81 Ca 0.10 0.76 -0.34 0.00 0.43 0.00 0.00 52.55 53.51 1jsa s ASP 81 Cb -0.16 -2.15 -0.13 0.00 -0.30 0.00 0.00 42.92 40.19 1jsa s ASP 81 CO 0.10 -0.50 1.55 0.15 -0.17 0.00 0.00 175.17 176.29 1jsa h PHE 82 N 0.38 -1.62 -0.95 -5.34 3.04 -1.98 1.07 116.94 111.54 1jsa h PHE 82 Ca -0.48 0.06 0.27 0.00 3.98 0.00 0.00 57.97 61.80 1jsa h PHE 82 Cb 1.21 0.73 -0.14 0.00 2.56 0.00 0.00 35.95 40.31 1jsa h PHE 82 CO 0.55 -0.54 0.46 -0.22 -2.02 0.00 0.00 178.31 176.54 1jsa h LYS 83 N -0.56 0.35 -0.12 1.11 3.64 -1.94 0.89 116.57 119.93 1jsa h LYS 83 Ca 0.03 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1jsa h LYS 83 Cb 0.67 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1jsa h LYS 83 CO -0.45 0.23 -0.60 0.93 -2.27 0.00 0.00 179.45 177.29 1jsa h GLU 84 N 0.36 0.42 -0.87 1.90 5.08 -1.13 -3.07 114.58 117.26 1jsa h GLU 84 Ca 0.64 -0.28 0.10 0.00 -1.00 0.00 0.00 59.36 58.81 1jsa h GLU 84 Cb 1.33 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 1jsa h GLU 84 CO -0.58 0.89 0.51 -0.92 -1.00 0.00 0.00 179.01 177.92 1jsa h TYR 85 N 0.31 0.93 -0.08 4.33 3.20 0.85 -2.06 116.97 124.44 1jsa h TYR 85 Ca -0.01 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1jsa h TYR 85 Cb 1.14 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 39.07 1jsa h TYR 85 CO 0.04 0.38 -0.19 0.28 -1.64 0.00 0.00 178.16 177.03 1jsa h VAL 86 N 0.85 0.53 -0.72 1.81 2.07 -1.18 -0.29 116.25 119.32 1jsa h VAL 86 Ca 0.42 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.08 1jsa h VAL 86 Cb 0.37 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 30.58 1jsa h VAL 86 CO -0.25 0.00 0.22 0.40 0.02 0.00 0.00 177.57 177.96 1jsa h ILE 87 N -0.26 0.59 0.76 4.57 1.08 -1.46 0.79 117.51 123.58 1jsa h ILE 87 Ca 0.08 -0.12 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1jsa h ILE 87 Cb 0.38 0.23 0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1jsa h ILE 87 CO -0.23 0.06 -0.36 0.00 -0.69 0.00 0.00 178.15 176.92 1jsa h ALA 88 N 1.56 -1.02 0.00 1.87 0.00 -1.03 -0.42 119.26 120.23 1jsa h ALA 88 Ca 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jsa h ALA 88 Cb 0.63 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jsa h ALA 88 CO -0.45 -1.02 -0.00 -0.07 0.00 0.00 0.00 179.25 177.70 1jsa h LEU 89 N -1.11 0.00 0.08 0.00 -0.00 -0.48 -2.56 115.31 111.25 1jsa h LEU 89 Ca -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1jsa h LEU 89 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 1jsa h LEU 89 CO 0.17 0.00 -0.04 -0.74 -0.00 0.00 0.00 178.44 177.84 1jsa h HIS 90 N 0.00 -0.10 -0.69 1.13 -0.00 0.12 -3.20 115.15 112.41 1jsa h HIS 90 Ca -0.00 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.50 1jsa h HIS 90 Cb 0.06 0.03 -0.13 0.00 -0.00 0.00 0.00 27.41 27.38 1jsa h HIS 90 CO 0.00 -0.06 -0.22 0.52 -0.00 0.00 0.00 177.93 178.17 1jsa h MET 91 N -0.41 -0.04 -1.16 5.26 2.86 -1.01 0.68 114.93 121.11 1jsa h MET 91 Ca -0.01 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.97 1jsa h MET 91 Cb 0.08 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.64 1jsa h MET 91 CO 0.02 -0.03 0.75 1.15 1.06 0.00 0.00 176.91 179.86 1jsa h THR 92 N -0.04 0.35 -0.69 2.22 2.02 -1.59 -3.40 112.91 111.77 1jsa h THR 92 Ca 0.32 -0.09 0.20 0.00 0.77 0.00 0.00 66.41 67.61 1jsa h THR 92 Cb 0.53 0.08 -0.25 0.00 -1.74 0.00 0.00 68.15 66.77 1jsa h THR 92 CO -0.72 0.05 0.29 -0.94 0.37 0.00 0.00 175.52 174.56 1jsa s SER 93 N -4.93 -0.43 0.00 4.18 1.04 0.23 -5.06 113.70 108.72 1jsa s SER 93 Ca -0.08 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1jsa s SER 93 Cb 0.27 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.87 1jsa s SER 93 CO 0.81 -0.08 0.00 0.00 0.98 0.00 0.00 173.24 174.94 1jsa n ALA 94 N 4.93 0.00 -1.88 5.32 0.00 -1.08 -4.47 120.51 123.32 1jsa n ALA 94 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jsa n ALA 94 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1jsa n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jsa n GLY 95 N 0.00 1.67 3.72 0.00 0.00 -1.26 -5.01 105.19 104.31 1jsa n GLY 95 Ca 0.00 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 1jsa n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jsa s LYS 96 N 2.96 1.66 0.00 1.61 -0.14 -1.26 -5.05 119.74 119.52 1jsa s LYS 96 Ca 0.00 1.27 0.00 0.00 -1.36 0.00 0.00 55.97 55.88 1jsa s LYS 96 Cb 0.00 -1.82 0.00 0.00 -1.68 0.00 0.00 37.83 34.33 1jsa s LYS 96 CO 0.00 -2.10 0.00 -2.37 -0.76 0.00 0.00 175.35 170.12 1jsa n THR 97 N -3.84 0.00 -2.80 2.17 5.66 -1.26 -4.69 114.28 109.52 1jsa n THR 97 Ca 0.10 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.89 1jsa n THR 97 Cb 0.53 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.32 1jsa n THR 97 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jsa n ASN 98 N 0.00 -5.44 0.00 1.09 4.05 -1.26 -4.67 115.26 109.03 1jsa n ASN 98 Ca 0.00 -0.15 0.00 0.00 0.45 0.00 0.00 54.58 54.88 1jsa n ASN 98 Cb 0.00 -4.47 0.00 0.00 1.23 0.00 0.00 39.78 36.54 1jsa n ASN 98 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1jsa n GLN 99 N -3.52 0.00 -0.19 1.20 0.00 -1.26 -4.87 117.38 108.73 1jsa n GLN 99 Ca -0.15 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 56.97 1jsa n GLN 99 Cb 0.63 -0.22 0.25 0.00 0.00 0.00 0.00 30.24 30.90 1jsa n GLN 99 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1jsa n LYS 100 N -1.23 2.39 -0.27 3.69 -0.00 -1.26 -4.42 118.16 117.07 1jsa n LYS 100 Ca 0.00 -2.11 0.07 0.00 -0.00 0.00 0.00 58.31 56.27 1jsa n LYS 100 Cb 0.00 -1.49 0.21 0.00 -0.00 0.00 0.00 35.03 33.74 1jsa n LYS 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1jsa h LEU 101 N 4.03 0.31 -0.44 -5.58 5.85 -1.94 -1.02 115.31 116.53 1jsa h LEU 101 Ca 0.00 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1jsa h LEU 101 Cb 0.89 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 1jsa h LEU 101 CO 0.00 0.10 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.90 1jsa h GLU 102 N 0.46 -0.13 0.00 1.25 4.81 -1.94 0.67 114.58 119.70 1jsa h GLU 102 Ca 0.44 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1jsa h GLU 102 Cb 0.69 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1jsa h GLU 102 CO -0.42 -0.09 -0.02 -1.49 -0.73 0.00 0.00 179.01 176.26 1jsa h TRP 103 N -0.14 0.00 -0.14 0.92 6.55 -1.52 -1.06 115.95 120.55 1jsa h TRP 103 Ca 0.21 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.96 1jsa h TRP 103 Cb 0.46 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.75 1jsa h TRP 103 CO -0.47 0.02 -0.29 0.00 -1.05 0.00 0.00 178.44 176.65 1jsa h ALA 104 N 1.98 1.26 -0.43 1.49 0.00 0.85 -2.46 119.26 121.95 1jsa h ALA 104 Ca -0.00 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.71 1jsa h ALA 104 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jsa h ALA 104 CO 0.00 0.50 0.35 0.35 0.00 0.00 0.00 179.25 180.45 1jsa h PHE 105 N 0.23 0.00 -0.02 0.00 3.57 -0.81 0.23 116.94 120.15 1jsa h PHE 105 Ca 0.03 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1jsa h PHE 105 Cb 0.63 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1jsa h PHE 105 CO 0.01 0.00 -0.41 0.77 -2.23 0.00 0.00 178.31 176.45 1jsa h SER 106 N 0.00 0.03 0.73 0.41 0.02 -1.58 -2.80 113.55 110.36 1jsa h SER 106 Ca 0.20 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1jsa h SER 106 Cb 0.91 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.45 1jsa h SER 106 CO -0.00 0.44 -0.35 0.25 -1.14 0.00 0.00 176.83 176.03 1jsa h LEU 107 N 0.03 -0.82 -2.52 5.07 6.46 -0.66 -2.57 115.31 120.29 1jsa h LEU 107 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1jsa h LEU 107 Cb 0.74 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1jsa h LEU 107 CO 0.05 -0.48 0.15 1.88 -0.62 0.00 0.00 178.44 179.43 1jsa h TYR 108 N -1.18 0.00 -0.99 1.25 -1.99 -1.56 -2.98 116.97 109.53 1jsa h TYR 108 Ca -0.10 0.00 -0.73 0.00 2.00 0.00 0.00 58.73 59.90 1jsa h TYR 108 Cb 0.77 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 39.40 1jsa h TYR 108 CO -0.00 0.00 2.62 -3.47 -0.00 0.00 0.00 178.16 177.31 1jsa n ASP 109 N -3.06 8.04 -0.12 3.88 2.03 -0.97 -4.70 116.55 121.65 1jsa n ASP 109 Ca -0.02 -3.06 -0.05 0.00 0.52 0.00 0.00 54.79 52.19 1jsa n ASP 109 Cb 0.22 -1.40 0.02 0.00 -0.72 0.00 0.00 41.12 39.25 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 2.70 0.67 -0.94 5.18 2.07 -1.69 -0.99 116.25 123.25 1jsa h VAL 110 Ca 0.72 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 68.37 1jsa h VAL 110 Cb 0.31 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.58 1jsa h VAL 110 CO 1.53 0.01 0.55 -2.24 0.02 0.00 0.00 177.57 177.44 1jsa h ASP 111 N 0.08 0.71 -0.36 0.57 3.04 -1.91 -3.47 116.42 115.08 1jsa h ASP 111 Ca 0.19 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 1jsa h ASP 111 Cb 0.28 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 1jsa h ASP 111 CO -0.35 0.30 0.00 0.61 -2.04 0.00 0.00 179.24 177.76 1jsa n GLY 112 N -1.33 0.62 0.00 7.15 0.00 -0.38 -5.12 105.19 106.13 1jsa n GLY 112 Ca 0.20 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.09 0.00 0.00 1.61 5.03 -1.26 -5.06 115.26 115.48 1jsa n ASN 113 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1jsa n ASN 113 Cb 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jsa n GLY 114 N 0.00 -0.52 3.24 7.41 0.00 -1.26 -5.09 105.19 108.96 1jsa n GLY 114 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.01 0.44 2.61 -4.23 -1.26 -3.88 115.64 109.31 1jsa s THR 115 Ca 0.00 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1jsa s THR 115 Cb 0.00 -0.53 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 1jsa s THR 115 CO 0.00 0.02 0.70 -0.63 -0.54 0.00 0.00 174.62 174.17 1jsa s ILE 116 N 0.67 4.85 0.09 2.99 1.01 0.11 -4.85 121.20 126.08 1jsa s ILE 116 Ca -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1jsa s ILE 116 Cb -0.05 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1jsa s ILE 116 CO -0.04 -0.70 0.06 -0.44 0.00 0.00 0.00 174.94 173.81 1jsa s SER 117 N -4.10 0.34 0.25 3.58 0.01 -1.26 -2.27 113.70 110.25 1jsa s SER 117 Ca 0.45 -0.99 -0.05 0.00 1.31 0.00 0.00 55.95 56.68 1jsa s SER 117 Cb -0.10 0.27 0.47 0.00 0.21 0.00 0.00 66.02 66.87 1jsa s SER 117 CO 0.41 -0.68 1.69 0.11 0.41 0.00 0.00 173.24 175.18 1jsa h LYS 118 N 2.95 0.27 -0.56 12.44 1.57 -1.99 -0.25 116.57 131.01 1jsa h LYS 118 Ca -0.34 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1jsa h LYS 118 Cb 1.17 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.37 1jsa h LYS 118 CO 0.61 0.18 0.25 -2.95 -0.57 0.00 0.00 179.45 176.97 1jsa h ASN 119 N 0.28 0.31 0.10 0.86 -1.07 -2.00 -0.84 115.58 113.22 1jsa h ASN 119 Ca 0.42 0.05 -0.00 0.00 0.07 0.00 0.00 56.30 56.84 1jsa h ASN 119 Cb 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 1jsa h ASN 119 CO -0.51 0.20 -0.05 -0.33 0.07 0.00 0.00 177.43 176.82 1jsa h GLU 120 N 0.46 -0.13 -0.01 4.14 5.08 -1.44 -1.85 114.58 120.83 1jsa h GLU 120 Ca 0.27 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1jsa h GLU 120 Cb 0.25 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1jsa h GLU 120 CO -0.23 0.05 0.18 0.28 -1.00 0.00 0.00 179.01 178.29 1jsa h VAL 121 N -0.29 0.02 -0.24 3.13 2.07 -0.81 -1.22 116.25 118.91 1jsa h VAL 121 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1jsa h VAL 121 Cb 0.24 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1jsa h VAL 121 CO 0.02 0.00 -0.00 0.25 0.02 0.00 0.00 177.57 177.86 1jsa h LEU 122 N 0.00 0.42 0.05 2.57 6.46 -0.28 -2.50 115.31 122.03 1jsa h LEU 122 Ca 0.00 -0.31 -0.00 0.00 -0.12 0.00 0.00 57.88 57.45 1jsa h LEU 122 Cb 0.37 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1jsa h LEU 122 CO -0.00 0.63 -0.02 -0.08 -0.62 0.00 0.00 178.44 178.34 1jsa h GLU 123 N 0.20 -0.06 -0.93 1.25 4.57 -1.23 -1.07 114.58 117.31 1jsa h GLU 123 Ca 0.07 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 58.50 1jsa h GLU 123 Cb 0.41 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 28.88 1jsa h GLU 123 CO 0.01 0.38 0.42 0.82 -1.18 0.00 0.00 179.01 179.46 1jsa h ILE 124 N -0.52 0.41 0.30 2.32 1.08 -1.54 0.71 117.51 120.26 1jsa h ILE 124 Ca -0.01 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1jsa h ILE 124 Cb 0.47 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1jsa h ILE 124 CO 0.01 0.07 -0.14 0.58 -0.69 0.00 0.00 178.15 177.98 1jsa h VAL 125 N 0.37 0.40 -0.59 1.67 2.07 -1.36 -1.97 116.25 116.84 1jsa h VAL 125 Ca 0.60 -0.82 0.12 0.00 0.82 0.00 0.00 66.70 67.42 1jsa h VAL 125 Cb 1.22 0.66 -0.11 0.00 -1.52 0.00 0.00 31.29 31.54 1jsa h VAL 125 CO -0.57 0.10 -0.12 0.74 0.02 0.00 0.00 177.57 177.75 1jsa h THR 126 N -1.00 0.43 0.12 2.57 2.02 -0.18 0.48 112.91 117.35 1jsa h THR 126 Ca -0.04 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.15 1jsa h THR 126 Cb 0.47 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1jsa h THR 126 CO 0.07 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.65 1jsa h ALA 127 N 1.58 -0.54 -0.68 6.16 0.00 0.35 0.04 119.26 126.16 1jsa h ALA 127 Ca 0.29 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1jsa h ALA 127 Cb 0.44 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1jsa h ALA 127 CO -0.58 -0.86 0.45 0.82 0.00 0.00 0.00 179.25 179.08 1jsa h ILE 128 N -0.54 0.87 -0.88 0.00 2.04 -0.34 0.43 117.51 119.10 1jsa h ILE 128 Ca 0.03 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.83 1jsa h ILE 128 Cb 0.57 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 1jsa h ILE 128 CO -0.18 0.08 0.53 0.15 0.00 0.00 0.00 178.15 178.73 1jsa h PHE 129 N 0.46 0.96 -0.52 1.37 3.57 0.19 -0.81 116.94 122.15 1jsa h PHE 129 Ca 0.32 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 1jsa h PHE 129 Cb 0.62 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1jsa h PHE 129 CO -0.00 0.41 0.25 0.87 -2.23 0.00 0.00 178.31 177.61 1jsa h LYS 130 N 0.88 0.76 -0.03 1.11 1.79 -0.37 -1.23 116.57 119.48 1jsa h LYS 130 Ca 0.42 -0.11 0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1jsa h LYS 130 Cb 0.36 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1jsa h LYS 130 CO -0.24 0.62 0.04 1.98 -1.08 0.00 0.00 179.45 180.78 1jsa h MET 131 N 0.70 0.00 -5.96 3.15 1.85 -0.98 -3.23 114.93 110.47 1jsa h MET 131 Ca 0.18 0.00 -0.59 0.00 -0.61 0.00 0.00 59.70 58.68 1jsa h MET 131 Cb 0.12 0.00 -0.11 0.00 0.43 0.00 0.00 31.60 32.04 1jsa h MET 131 CO -0.02 0.00 0.78 0.42 -0.40 0.00 0.00 176.91 177.69 1jsa s ILE 132 N -4.55 4.08 0.76 1.77 1.01 -0.46 -4.49 121.20 119.32 1jsa s ILE 132 Ca -0.05 0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.60 1jsa s ILE 132 Cb 0.15 -4.75 0.05 0.00 0.01 0.00 0.00 42.46 37.91 1jsa s ILE 132 CO 0.52 -1.54 1.15 -0.24 0.00 0.00 0.00 174.94 174.82 1jsa n SER 133 N 8.36 1.03 -0.34 3.58 2.88 -1.26 -4.60 113.62 123.27 1jsa n SER 133 Ca 0.01 0.65 0.12 0.00 -1.33 0.00 0.00 58.87 58.31 1jsa n SER 133 Cb 0.47 -1.49 0.30 0.00 -0.75 0.00 0.00 64.21 62.75 1jsa n SER 133 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1jsa h PRO 134 N -0.48 0.71 -1.00 -1.46 0.11 -1.93 0.19 132.00 128.13 1jsa h PRO 134 Ca -0.47 -0.04 0.23 0.00 0.11 0.00 0.00 66.00 65.83 1jsa h PRO 134 Cb 1.32 -0.16 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 1jsa h PRO 134 CO 0.47 0.47 0.63 0.93 -0.21 0.00 0.00 178.00 180.29 1jsa h GLU 135 N 0.73 0.50 0.21 1.05 5.08 -2.02 -0.70 114.58 119.44 1jsa h GLU 135 Ca 0.55 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.54 1jsa h GLU 135 Cb 0.85 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 30.00 1jsa h GLU 135 CO -0.38 0.33 -1.67 -0.44 -1.00 0.00 0.00 179.01 175.85 1jsa h ASP 136 N 0.51 0.70 0.00 1.42 5.19 -0.99 -3.25 116.42 120.00 1jsa h ASP 136 Ca 0.57 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1jsa h ASP 136 Cb 1.26 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1jsa h ASP 136 CO -0.32 1.77 0.20 0.41 -3.12 0.00 0.00 179.24 178.19 1jsa n THR 137 N -3.64 0.86 1.34 0.35 -1.04 -0.29 0.21 114.28 112.07 1jsa n THR 137 Ca -0.22 0.41 0.11 0.00 -2.04 0.00 0.00 64.05 62.31 1jsa n THR 137 Cb 1.09 -1.41 0.42 0.00 -1.82 0.00 0.00 70.33 68.61 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 -1.17 1.65 -0.12 -2.82 3.00 -1.06 -4.27 118.16 113.37 1jsa n LYS 138 Ca 0.00 -0.98 -0.20 0.00 -0.00 0.00 0.00 58.31 57.13 1jsa n LYS 138 Cb 0.20 -1.40 -0.07 0.00 0.00 0.00 0.00 35.03 33.76 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1jsa n HIS 139 N 0.19 0.00 -1.42 5.64 8.25 0.56 -4.98 115.22 123.47 1jsa n HIS 139 Ca 0.17 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.26 1jsa n HIS 139 Cb 0.31 -0.77 0.06 0.00 1.12 0.00 0.00 29.99 30.71 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 -4.34 1.69 -4.47 2.41 -0.00 -1.26 -4.91 117.00 106.12 1jsa n LEU 140 Ca -0.36 0.69 -0.30 0.00 -0.00 0.00 0.00 56.01 56.04 1jsa n LEU 140 Cb 0.72 -1.26 0.22 0.00 -0.00 0.00 0.00 43.42 43.11 1jsa n LEU 140 CO 0.11 -2.73 0.32 -0.81 -0.00 0.00 0.00 177.39 174.28 1jsa n PRO 141 N -0.67 -1.86 -2.45 1.47 -0.04 -1.26 -4.96 135.00 125.23 1jsa n PRO 141 Ca 0.12 -0.51 -0.25 0.00 -0.04 0.00 0.00 63.50 62.82 1jsa n PRO 141 Cb 0.49 -2.11 0.14 0.00 -0.04 0.00 0.00 33.50 31.98 1jsa n PRO 141 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1jsa s GLU 142 N -4.23 1.21 0.00 0.54 2.12 -1.26 -3.98 118.70 113.09 1jsa s GLU 142 Ca 0.66 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1jsa s GLU 142 Cb -0.23 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1jsa s GLU 142 CO 0.64 -1.84 0.00 -3.47 -0.54 0.00 0.00 175.26 170.05 1jsa n ASP 143 N -3.15 -0.14 -2.80 -1.70 -0.08 -1.26 -4.54 116.55 102.88 1jsa n ASP 143 Ca 0.17 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.35 1jsa n ASP 143 Cb 0.60 -1.92 0.06 0.00 2.34 0.00 0.00 41.12 42.21 1jsa n ASP 143 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1jsa n GLU 144 N -1.21 1.09 0.00 -0.67 2.13 -1.26 -4.90 120.64 115.83 1jsa n GLU 144 Ca 0.00 -2.48 0.00 0.00 0.66 0.00 0.00 57.16 55.34 1jsa n GLU 144 Cb 0.01 -0.91 0.00 0.00 0.27 0.00 0.00 31.44 30.81 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 -0.04 1.00 -4.97 4.31 5.15 -1.26 -4.63 115.26 114.82 1jsa n ASN 145 Ca 0.08 -1.38 -0.19 0.00 -0.60 0.00 0.00 54.58 52.49 1jsa n ASN 145 Cb 0.76 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 40.01 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 -0.38 3.61 0.00 -0.44 -4.23 -1.26 -4.95 115.64 108.00 1jsa s THR 146 Ca 0.00 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1jsa s THR 146 Cb 0.00 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1jsa s THR 146 CO 0.00 -0.10 0.47 -0.81 -0.54 0.00 0.00 174.62 173.63 1jsa n PRO 147 N -1.66 0.00 0.00 3.99 -0.04 -1.26 -0.15 135.00 135.88 1jsa n PRO 147 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1jsa n PRO 147 Cb 0.59 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 1jsa n PRO 147 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1jsa n GLU 148 N -0.49 0.00 -0.05 0.54 2.13 -1.26 -0.22 120.64 121.29 1jsa n GLU 148 Ca 0.00 0.24 -0.21 0.00 0.66 0.00 0.00 57.16 57.85 1jsa n GLU 148 Cb 0.00 -1.74 -0.13 0.00 0.27 0.00 0.00 31.44 29.84 1jsa n GLU 148 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1jsa h LYS 149 N 0.00 0.12 0.18 5.31 1.63 -1.87 -3.38 116.57 118.55 1jsa h LYS 149 Ca 0.00 -0.21 -0.35 0.00 -0.85 0.00 0.00 60.65 59.24 1jsa h LYS 149 Cb 0.49 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1jsa h LYS 149 CO 0.00 1.10 -1.76 0.00 -3.45 0.00 0.00 179.45 175.35 1jsa h ARG 150 N -0.60 0.37 -1.30 1.90 3.08 0.27 -3.28 114.38 114.82 1jsa h ARG 150 Ca -0.31 -0.63 0.43 0.00 0.07 0.00 0.00 59.98 59.53 1jsa h ARG 150 Cb 1.54 0.24 -0.13 0.00 0.08 0.00 0.00 29.97 31.70 1jsa h ARG 150 CO -0.05 1.29 0.84 0.00 -1.07 0.00 0.00 179.97 180.97 1jsa h ALA 151 N 0.15 2.70 0.00 0.04 0.00 -0.92 2.25 119.26 123.48 1jsa h ALA 151 Ca -0.34 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1jsa h ALA 151 Cb 2.09 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 20.05 1jsa h ALA 151 CO 0.17 -1.32 -0.94 1.49 0.00 0.00 0.00 179.25 178.65 1jsa h GLU 152 N 0.10 0.00 -0.46 0.00 4.22 -1.74 -2.85 114.58 113.85 1jsa h GLU 152 Ca 0.81 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 60.22 1jsa h GLU 152 Cb 2.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.75 1jsa h GLU 152 CO -0.42 0.64 0.16 -0.22 -2.18 0.00 0.00 179.01 176.99 1jsa h LYS 153 N 0.00 0.71 0.66 1.92 1.63 0.36 2.34 116.57 124.19 1jsa h LYS 153 Ca -0.06 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.56 1jsa h LYS 153 Cb 1.61 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 33.14 1jsa h LYS 153 CO 0.09 0.67 -0.32 0.82 -3.45 0.00 0.00 179.45 177.26 1jsa h ILE 154 N 0.61 0.25 0.00 2.00 2.04 -1.18 -1.61 117.51 119.62 1jsa h ILE 154 Ca 0.15 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1jsa h ILE 154 Cb 0.24 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1jsa h ILE 154 CO -0.01 0.02 0.00 -0.50 0.00 0.00 0.00 178.15 177.67 1jsa h TRP 155 N -1.06 0.00 0.00 1.37 4.06 -1.42 -0.06 115.95 118.84 1jsa h TRP 155 Ca -0.09 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.83 1jsa h TRP 155 Cb 0.72 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.88 1jsa h TRP 155 CO -0.00 0.00 -0.13 0.78 -3.56 0.00 0.00 178.44 175.53 1jsa h GLY 156 N 1.67 0.00 0.45 1.49 0.00 0.44 -2.79 103.07 104.33 1jsa h GLY 156 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1jsa h GLY 156 CO 0.00 0.00 -0.16 -2.75 0.00 0.00 0.00 176.54 173.63 1jsa h PHE 157 N 0.00 -0.42 -1.00 5.60 3.04 -0.03 -3.23 116.94 120.90 1jsa h PHE 157 Ca -0.00 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.09 1jsa h PHE 157 Cb 0.66 0.14 -0.10 0.00 2.56 0.00 0.00 35.95 39.22 1jsa h PHE 157 CO 0.00 -0.12 0.61 0.74 -2.02 0.00 0.00 178.31 177.53 1jsa h PHE 158 N -1.01 1.09 0.00 0.41 -1.00 -1.55 -3.47 116.94 111.42 1jsa h PHE 158 Ca -0.05 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1jsa h PHE 158 Cb 0.49 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1jsa h PHE 158 CO 0.03 0.34 0.00 0.41 -1.61 0.00 0.00 178.31 177.48 1jsa n GLY 159 N -1.34 1.25 7.00 -1.45 0.00 -1.06 -5.13 105.19 104.47 1jsa n GLY 159 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1jsa n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 160 N 0.00 0.00 0.00 1.61 4.76 -1.26 -4.66 118.16 118.61 1jsa n LYS 160 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jsa n LYS 160 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1jsa n LYS 160 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1jsa n LYS 161 N -0.01 0.00 0.00 1.97 4.81 -1.26 -4.99 118.16 118.68 1jsa n LYS 161 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jsa n LYS 161 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1jsa n LYS 161 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1jsa n ASP 162 N -0.06 1.07 -3.18 3.14 2.03 -1.26 -4.95 116.55 113.34 1jsa n ASP 162 Ca 0.00 -0.03 -0.16 0.00 0.52 0.00 0.00 54.79 55.11 1jsa n ASP 162 Cb 0.00 0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 40.63 1jsa n ASP 162 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1jsa s ASP 163 N -0.50 0.36 -0.29 1.67 1.01 -1.26 -5.08 116.67 112.58 1jsa s ASP 163 Ca 0.00 -2.17 0.01 0.00 0.71 0.00 0.00 52.55 51.11 1jsa s ASP 163 Cb 0.00 0.65 0.18 0.00 1.01 0.00 0.00 42.92 44.76 1jsa s ASP 163 CO 0.00 -0.16 0.53 -1.81 0.21 0.00 0.00 175.17 173.95 1jsa s ASP 164 N 0.75 -0.94 0.27 0.27 1.01 -1.26 -5.11 116.67 111.67 1jsa s ASP 164 Ca 0.27 0.37 -0.12 0.00 0.71 0.00 0.00 52.55 53.78 1jsa s ASP 164 Cb -0.03 1.80 -0.08 0.00 1.01 0.00 0.00 42.92 45.62 1jsa s ASP 164 CO -0.10 -0.29 0.64 -0.54 0.21 0.00 0.00 175.17 175.09 1jsa s LYS 165 N 2.75 3.90 -0.16 8.23 1.02 -1.26 -4.84 119.74 129.38 1jsa s LYS 165 Ca 0.15 0.46 -0.14 0.00 0.02 0.00 0.00 55.97 56.46 1jsa s LYS 165 Cb -0.13 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1jsa s LYS 165 CO -0.23 0.24 0.28 -1.17 -0.92 0.00 0.00 175.35 173.55 1jsa s LEU 166 N -2.89 4.24 0.30 3.17 2.96 -0.96 -4.82 118.68 120.68 1jsa s LEU 166 Ca 0.51 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 1jsa s LEU 166 Cb -0.11 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 1jsa s LEU 166 CO 0.19 0.11 0.46 -0.89 -1.32 0.00 0.00 176.35 174.90 1jsa s THR 167 N 0.43 5.10 -0.68 3.68 2.01 -1.26 0.08 115.64 125.00 1jsa s THR 167 Ca 0.16 -0.74 0.10 0.00 0.31 0.00 0.00 61.69 61.52 1jsa s THR 167 Cb -0.13 -3.83 0.10 0.00 0.01 0.00 0.00 72.50 68.65 1jsa s THR 167 CO 0.04 -0.42 1.31 -1.84 -0.69 0.00 0.00 174.62 173.01 1jsa n GLU 168 N -1.61 0.06 0.01 4.92 0.28 -1.25 -0.87 120.64 122.18 1jsa n GLU 168 Ca -0.06 0.53 -0.01 0.00 -0.16 0.00 0.00 57.16 57.45 1jsa n GLU 168 Cb 0.57 -1.69 -0.01 0.00 1.43 0.00 0.00 31.44 31.74 1jsa n GLU 168 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1jsa h LYS 169 N 0.00 -0.09 -0.00 3.44 1.57 -1.92 -3.35 116.57 116.22 1jsa h LYS 169 Ca 0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1jsa h LYS 169 Cb 0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1jsa h LYS 169 CO 0.00 -0.06 -0.49 0.93 -0.57 0.00 0.00 179.45 179.26 1jsa h GLU 170 N -0.63 0.00 -0.99 3.15 5.08 -1.93 -2.78 114.58 116.48 1jsa h GLU 170 Ca -0.01 -0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.63 1jsa h GLU 170 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1jsa h GLU 170 CO 0.01 0.49 0.88 0.35 -1.00 0.00 0.00 179.01 179.75 1jsa h PHE 171 N 0.00 0.00 0.07 4.33 3.57 -1.15 2.30 116.94 126.06 1jsa h PHE 171 Ca -0.00 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.16 1jsa h PHE 171 Cb 0.87 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1jsa h PHE 171 CO 0.00 0.00 -1.89 -0.89 -2.23 0.00 0.00 178.31 173.30 1jsa n ILE 172 N -3.77 1.70 -0.08 1.41 5.41 -1.05 -4.14 119.36 118.83 1jsa n ILE 172 Ca 0.21 -0.72 -0.16 0.00 1.00 0.00 0.00 62.75 63.09 1jsa n ILE 172 Cb 1.20 -1.42 -0.12 0.00 -0.71 0.00 0.00 39.64 38.59 1jsa n ILE 172 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jsa h GLU 173 N 0.04 0.00 -0.00 0.38 4.39 0.52 -2.14 114.58 117.77 1jsa h GLU 173 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1jsa h GLU 173 Cb 2.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1jsa h GLU 173 CO 0.08 0.92 0.80 0.78 -1.16 0.00 0.00 179.01 180.43 1jsa h GLY 174 N -1.00 0.00 0.00 -3.84 0.00 0.32 1.95 103.07 100.50 1jsa h GLY 174 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.86 1jsa h GLY 174 CO -0.07 0.00 -2.33 2.41 0.00 0.00 0.00 176.54 176.55 1jsa n THR 175 N -2.62 1.33 0.22 4.70 -1.04 -1.23 -4.30 114.28 111.34 1jsa n THR 175 Ca -0.01 -0.80 0.12 0.00 -2.04 0.00 0.00 64.05 61.32 1jsa n THR 175 Cb 0.81 -0.56 0.71 0.00 -1.82 0.00 0.00 70.33 69.47 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1jsa h LEU 176 N 0.00 0.00 0.00 -4.42 5.85 0.38 -3.36 115.31 113.76 1jsa h LEU 176 Ca -0.53 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1jsa h LEU 176 Cb 2.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.19 1jsa h LEU 176 CO 0.02 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 1jsa n ALA 177 N -2.50 0.00 -1.76 1.25 0.00 -0.83 -4.79 120.51 111.88 1jsa n ALA 177 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 1jsa n ALA 177 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1jsa n ALA 177 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1jsa s ASN 178 N -2.00 5.77 -0.01 0.00 3.84 -1.26 -4.96 114.94 116.33 1jsa s ASN 178 Ca 0.00 2.13 -0.04 0.00 0.21 0.00 0.00 52.86 55.16 1jsa s ASN 178 Cb 0.00 -2.58 -0.28 0.00 -0.55 0.00 0.00 41.25 37.84 1jsa s ASN 178 CO 0.00 -1.19 0.81 0.11 -2.79 0.00 0.00 177.10 174.04 1jsa h LYS 179 N 1.16 0.26 -0.46 0.43 6.56 -1.87 -3.29 116.57 119.36 1jsa h LYS 179 Ca -0.50 -0.45 0.13 0.00 -1.06 0.00 0.00 60.65 58.78 1jsa h LYS 179 Cb 1.25 0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 33.06 1jsa h LYS 179 CO 0.57 1.13 0.87 0.93 -2.06 0.00 0.00 179.45 180.88 1jsa h GLU 180 N 0.07 0.00 0.02 3.15 5.08 -1.93 0.74 114.58 121.72 1jsa h GLU 180 Ca -0.26 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 1jsa h GLU 180 Cb 2.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.29 1jsa h GLU 180 CO 0.16 0.00 -0.49 0.82 -1.00 0.00 0.00 179.01 178.50 1jsa h ILE 181 N 0.00 1.50 0.00 3.13 2.04 -1.89 -2.59 117.51 119.70 1jsa h ILE 181 Ca 0.22 -2.13 -0.05 0.00 1.00 0.00 0.00 64.86 63.90 1jsa h ILE 181 Cb 1.95 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 40.83 1jsa h ILE 181 CO -0.00 0.60 -0.25 0.25 0.00 0.00 0.00 178.15 178.75 1jsa h LEU 182 N -0.33 0.00 -0.32 1.44 5.85 0.29 -2.27 115.31 119.97 1jsa h LEU 182 Ca -0.07 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 1jsa h LEU 182 Cb 1.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1jsa h LEU 182 CO 0.10 0.25 -0.81 -0.09 -0.34 0.00 0.00 178.44 177.55 1jsa h ARG 183 N 0.00 0.00 0.00 1.25 2.43 -1.38 -3.31 114.38 113.37 1jsa h ARG 183 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jsa h ARG 183 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1jsa h ARG 183 CO 0.03 0.81 0.00 -0.11 -1.51 0.00 0.00 179.97 179.19 1jsa n LEU 184 N -3.52 0.12 -2.30 3.80 7.94 -0.89 -3.86 117.00 118.29 1jsa n LEU 184 Ca -0.00 0.62 -0.10 0.00 -1.11 0.00 0.00 56.01 55.41 1jsa n LEU 184 Cb 0.79 -0.47 -0.10 0.00 0.53 0.00 0.00 43.42 44.17 1jsa n LEU 184 CO 0.44 -0.47 1.44 2.30 -1.11 0.00 0.00 177.39 179.99 1jsa n ILE 185 N -1.91 2.14 1.27 1.96 -5.35 -0.97 -4.17 119.36 112.33 1jsa n ILE 185 Ca 0.00 -1.11 0.13 0.00 -0.27 0.00 0.00 62.75 61.51 1jsa n ILE 185 Cb 0.00 -1.89 0.49 0.00 -1.74 0.00 0.00 39.64 36.49 1jsa n ILE 185 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1jsa n GLN 186 N 2.85 0.61 -1.91 6.28 7.27 -1.25 -4.89 117.38 126.34 1jsa n GLN 186 Ca 0.32 -0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1jsa n GLN 186 Cb 0.56 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.71 1jsa n GLN 186 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1jsa n PHE 187 N -0.96 -1.56 1.50 3.69 1.16 -1.26 -5.13 117.46 114.91 1jsa n PHE 187 Ca 0.12 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.84 1jsa n PHE 187 Cb 0.31 -0.91 0.53 0.00 -1.61 0.00 0.00 39.48 37.80 1jsa n PHE 187 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98