#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa s ASN 2 N 0.00 6.90 0.00 1.61 0.01 -1.26 -4.91 114.94 117.29 1jsa s ASN 2 Ca 0.00 1.88 0.00 0.00 -0.71 0.00 0.00 52.86 54.03 1jsa s ASN 2 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1jsa s ASN 2 CO 0.00 -0.39 0.73 -1.20 -1.51 0.00 0.00 177.10 174.73 1jsa n SER 3 N -0.19 0.26 -1.87 -1.22 7.64 -1.26 -3.20 113.62 113.78 1jsa n SER 3 Ca 0.05 -1.72 -0.10 0.00 1.01 0.00 0.00 58.87 58.11 1jsa n SER 3 Cb 0.51 -0.13 0.06 0.00 -1.01 0.00 0.00 64.21 63.65 1jsa n SER 3 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1jsa n LYS 4 N -0.33 2.45 -0.57 1.43 4.81 -1.26 -5.09 118.16 119.60 1jsa n LYS 4 Ca 0.00 -3.65 -0.29 0.00 -0.87 0.00 0.00 58.31 53.51 1jsa n LYS 4 Cb 0.07 -1.78 0.19 0.00 0.02 0.00 0.00 35.03 33.53 1jsa n LYS 4 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1jsa n SER 5 N -0.65 -2.61 0.00 3.14 7.64 -1.19 -4.34 113.62 115.60 1jsa n SER 5 Ca 0.27 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1jsa n SER 5 Cb 0.89 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.98 2.73 1.44 0.23 0.00 -1.26 -4.89 105.19 105.42 1jsa n GLY 6 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1jsa n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsa n ALA 7 N 0.00 2.05 -1.18 4.61 0.00 -1.26 -4.86 120.51 119.86 1jsa n ALA 7 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1jsa n ALA 7 Cb 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.13 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 1.37 -2.72 0.00 0.00 -0.00 -1.26 -4.60 117.00 109.79 1jsa n LEU 8 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 1jsa n LEU 8 Cb 0.15 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 42.62 1jsa n LEU 8 CO 0.00 -4.53 0.00 -0.24 -0.00 0.00 0.00 177.39 172.62 1jsa n SER 9 N 1.77 0.00 0.31 1.45 2.88 -1.26 -4.90 113.62 113.87 1jsa n SER 9 Ca 0.06 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.79 1jsa n SER 9 Cb 0.50 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 64.93 1jsa n SER 9 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jsa h LYS 10 N 0.00 0.00 0.00 -1.46 3.11 -1.99 0.58 116.57 116.81 1jsa h LYS 10 Ca 0.00 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.70 1jsa h LYS 10 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1jsa h LYS 10 CO 0.00 0.02 -1.11 1.49 -2.81 0.00 0.00 179.45 177.04 1jsa h GLU 11 N 0.00 0.00 0.01 1.90 4.57 -1.92 -3.33 114.58 115.81 1jsa h GLU 11 Ca -0.00 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.81 1jsa h GLU 11 Cb 0.22 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 1jsa h GLU 11 CO 0.00 0.35 -2.10 -0.89 -1.18 0.00 0.00 179.01 175.20 1jsa n ILE 12 N -2.99 1.55 -0.16 2.32 5.41 -0.59 -4.10 119.36 120.81 1jsa n ILE 12 Ca -0.05 -0.34 0.29 0.00 1.00 0.00 0.00 62.75 63.65 1jsa n ILE 12 Cb 0.79 -1.84 0.68 0.00 -0.71 0.00 0.00 39.64 38.57 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 -0.72 0.00 -0.92 1.39 3.38 -0.07 1.74 115.31 120.11 1jsa h LEU 13 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1jsa h LEU 13 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1jsa h LEU 13 CO -0.25 0.00 0.44 -0.08 0.09 0.00 0.00 178.44 178.63 1jsa h GLU 14 N 0.00 0.00 -0.00 1.13 4.81 -1.71 3.01 114.58 121.82 1jsa h GLU 14 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1jsa h GLU 14 Cb 2.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.42 1jsa h GLU 14 CO -0.00 0.00 -0.20 -0.85 -0.73 0.00 0.00 179.01 177.23 1jsa n GLU 15 N -2.24 0.06 -0.53 1.92 0.28 0.59 -4.06 120.64 116.66 1jsa n GLU 15 Ca -0.01 -0.02 0.43 0.00 -0.16 0.00 0.00 57.16 57.40 1jsa n GLU 15 Cb 0.46 -1.50 0.72 0.00 1.43 0.00 0.00 31.44 32.55 1jsa n GLU 15 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 1jsa h LEU 16 N 0.05 0.14 -0.78 -1.84 -0.00 0.53 0.55 115.31 113.96 1jsa h LEU 16 Ca 0.00 0.09 0.15 0.00 -0.00 0.00 0.00 57.88 58.12 1jsa h LEU 16 Cb 0.49 0.08 -0.10 0.00 -0.00 0.00 0.00 40.66 41.13 1jsa h LEU 16 CO 0.00 -0.13 0.32 1.56 -0.00 0.00 0.00 178.44 180.19 1jsa h GLN 17 N 0.03 0.43 0.00 0.17 1.08 -1.77 -3.39 115.11 111.66 1jsa h GLN 17 Ca 0.86 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 58.03 1jsa h GLN 17 Cb 3.02 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 30.35 1jsa h GLN 17 CO -0.27 0.28 0.00 1.28 -0.95 0.00 0.00 178.83 179.17 1jsa n LEU 18 N -5.01 0.00 -4.61 1.46 7.99 0.19 -4.92 117.00 112.11 1jsa n LEU 18 Ca 0.16 0.00 -0.50 0.00 -0.01 0.00 0.00 56.01 55.66 1jsa n LEU 18 Cb 0.45 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.71 1jsa n LEU 18 CO 0.17 0.00 0.92 0.59 -1.51 0.00 0.00 177.39 177.56 1jsa n ASN 19 N 0.00 1.93 0.00 -1.43 5.03 -1.23 -4.79 115.26 114.77 1jsa n ASN 19 Ca 0.00 1.12 0.06 0.00 0.87 0.00 0.00 54.58 56.63 1jsa n ASN 19 Cb 0.00 -1.26 0.32 0.00 -1.02 0.00 0.00 39.78 37.82 1jsa n ASN 19 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1jsa n THR 20 N 2.38 0.76 -1.37 3.41 5.66 -1.24 -4.31 114.28 119.58 1jsa n THR 20 Ca 0.17 0.19 0.16 0.00 -3.05 0.00 0.00 64.05 61.52 1jsa n THR 20 Cb 0.23 -0.97 -0.07 0.00 -1.55 0.00 0.00 70.33 67.96 1jsa n THR 20 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1jsa n LYS 21 N -1.33 -2.92 -3.47 1.09 4.76 -1.26 -4.62 118.16 110.40 1jsa n LYS 21 Ca 0.05 2.29 -0.43 0.00 -2.87 0.00 0.00 58.31 57.35 1jsa n LYS 21 Cb 0.11 -3.51 -0.04 0.00 -1.84 0.00 0.00 35.03 29.75 1jsa n LYS 21 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1jsa s PHE 22 N -3.80 3.72 -0.15 2.13 2.19 -1.26 -4.84 117.98 115.96 1jsa s PHE 22 Ca 0.00 -2.36 -0.10 0.00 0.33 0.00 0.00 56.93 54.79 1jsa s PHE 22 Cb 0.00 -3.59 0.02 0.00 -1.31 0.00 0.00 43.02 38.13 1jsa s PHE 22 CO 0.00 -0.92 0.19 0.25 1.83 0.00 0.00 175.22 176.56 1jsa n THR 23 N 3.56 -3.72 -0.16 0.12 -2.24 -1.26 -4.09 114.28 106.49 1jsa n THR 23 Ca 0.14 0.54 0.09 0.00 -2.27 0.00 0.00 64.05 62.54 1jsa n THR 23 Cb 0.43 -3.65 0.17 0.00 -2.10 0.00 0.00 70.33 65.18 1jsa n THR 23 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1jsa n GLU 24 N 0.82 -0.03 0.00 -0.78 0.28 -1.26 0.29 120.64 119.95 1jsa n GLU 24 Ca -0.02 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.67 1jsa n GLU 24 Cb 0.50 -1.12 0.00 0.00 1.43 0.00 0.00 31.44 32.25 1jsa n GLU 24 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1jsa n GLU 25 N -4.40 0.00 -0.05 3.44 4.07 -1.26 -0.59 120.64 121.85 1jsa n GLU 25 Ca 0.13 0.22 -0.22 0.00 -0.06 0.00 0.00 57.16 57.23 1jsa n GLU 25 Cb 0.42 -1.65 -0.13 0.00 -0.06 0.00 0.00 31.44 30.03 1jsa n GLU 25 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1jsa n GLU 26 N -1.17 0.66 0.00 5.31 2.13 0.83 -3.89 120.64 124.50 1jsa n GLU 26 Ca 0.00 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1jsa n GLU 26 Cb 0.15 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1jsa n GLU 26 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1jsa n LEU 27 N -3.98 0.00 -0.04 4.31 4.32 0.25 -1.88 117.00 119.98 1jsa n LEU 27 Ca -0.32 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.65 1jsa n LEU 27 Cb 0.86 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.65 1jsa n LEU 27 CO 0.30 0.00 -0.15 0.28 -1.22 0.00 0.00 177.39 176.60 1jsa h SER 28 N 0.00 0.00 0.67 -1.43 0.02 -1.67 -3.38 113.55 107.75 1jsa h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 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 0.42 0.00 -0.24 -1.14 0.00 0.00 176.83 175.87 1jsa n SER 29 N -3.69 0.00 0.00 3.07 2.88 -0.98 -3.09 113.62 111.81 1jsa n SER 29 Ca -0.03 0.12 0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1jsa n SER 29 Cb 0.12 -0.37 0.52 0.00 -0.75 0.00 0.00 64.21 63.73 1jsa n SER 29 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1jsa n TRP 30 N -1.37 0.00 -0.01 0.66 -0.00 -0.79 -2.42 117.44 113.52 1jsa n TRP 30 Ca 0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.55 1jsa n TRP 30 Cb 0.26 -0.17 -0.12 0.00 -0.00 0.00 0.00 31.31 31.28 1jsa n TRP 30 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1jsa n TYR 31 N -1.17 0.99 -0.06 5.87 9.36 -1.18 -3.93 117.16 127.04 1jsa n TYR 31 Ca 0.11 0.35 -0.06 0.00 3.32 0.00 0.00 57.90 61.62 1jsa n TYR 31 Cb 0.12 -1.15 -0.04 0.00 -0.63 0.00 0.00 39.34 37.63 1jsa n TYR 31 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1jsa h GLN 32 N 0.00 0.00 -0.76 2.98 5.75 -1.70 -3.05 115.11 118.33 1jsa h GLN 32 Ca -0.25 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 58.47 1jsa h GLN 32 Cb 1.88 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.40 1jsa h GLN 32 CO 0.07 0.33 0.87 1.03 -2.65 0.00 0.00 178.83 178.48 1jsa h SER 33 N -1.00 0.00 0.14 -0.69 0.87 -1.75 1.20 113.55 112.32 1jsa h SER 33 Ca -0.03 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.25 1jsa h SER 33 Cb 0.45 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1jsa h SER 33 CO -0.02 0.00 -1.17 0.15 -0.53 0.00 0.00 176.83 175.26 1jsa h PHE 34 N 0.00 0.91 -0.16 2.24 3.57 -1.68 -3.06 116.94 118.76 1jsa h PHE 34 Ca 0.36 -0.59 0.05 0.00 3.53 0.00 0.00 57.97 61.31 1jsa h PHE 34 Cb 2.09 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.76 1jsa h PHE 34 CO 0.00 1.44 0.28 -0.07 -2.23 0.00 0.00 178.31 177.74 1jsa h LEU 35 N 0.12 0.00 0.02 0.59 3.38 0.16 0.19 115.31 119.77 1jsa h LEU 35 Ca -0.18 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.51 1jsa h LEU 35 Cb 1.87 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.64 1jsa h LEU 35 CO 0.22 0.00 -1.11 0.11 0.09 0.00 0.00 178.44 177.75 1jsa h LYS 36 N 0.00 0.59 -0.96 1.13 1.79 -1.37 -3.06 116.57 114.71 1jsa h LYS 36 Ca 0.08 -0.71 0.13 0.00 -2.18 0.00 0.00 60.65 57.97 1jsa h LYS 36 Cb 0.65 0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 31.43 1jsa h LYS 36 CO -0.00 1.30 0.61 0.93 -1.08 0.00 0.00 179.45 181.21 1jsa h GLU 37 N 0.30 0.83 -0.75 3.15 3.07 -0.60 -3.40 114.58 117.17 1jsa h GLU 37 Ca -0.14 -0.05 0.13 0.00 -0.50 0.00 0.00 59.36 58.80 1jsa h GLU 37 Cb 1.77 -0.19 -0.21 0.00 -0.84 0.00 0.00 28.75 29.29 1jsa h GLU 37 CO 0.21 0.55 -0.16 0.00 -1.40 0.00 0.00 179.01 178.21 1jsa s PRO 39 N 2.89 2.63 0.00 0.00 0.02 -1.16 -4.42 135.00 134.96 1jsa s PRO 39 Ca 0.14 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.56 1jsa s PRO 39 Cb -0.12 -4.44 0.00 0.00 0.02 0.00 0.00 34.50 29.96 1jsa s PRO 39 CO -0.19 -2.69 0.00 0.45 -0.33 0.00 0.00 177.00 174.24 1jsa n SER 40 N 13.47 0.00 0.00 2.53 2.88 -1.26 -5.09 113.62 126.16 1jsa n SER 40 Ca 0.30 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1jsa n SER 40 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jsa n GLY 41 N -0.46 2.77 3.51 0.46 0.00 -1.26 -5.05 105.19 105.16 1jsa n GLY 41 Ca 0.00 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 3.28 0.69 1.61 1.81 -1.26 -4.51 118.95 120.57 1jsa s ARG 42 Ca 0.00 -0.39 -0.11 0.00 -1.72 0.00 0.00 55.73 53.50 1jsa s ARG 42 Cb 0.00 -3.98 0.01 0.00 -0.45 0.00 0.00 34.95 30.53 1jsa s ARG 42 CO 0.00 -1.10 1.08 0.42 -0.68 0.00 0.00 175.30 175.02 1jsa s ILE 43 N 2.96 3.78 0.07 1.52 1.01 -0.85 -4.86 121.20 124.84 1jsa s ILE 43 Ca 0.23 0.58 0.04 0.00 0.00 0.00 0.00 60.65 61.50 1jsa s ILE 43 Cb -0.14 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1jsa s ILE 43 CO 0.19 -0.76 -0.11 -0.89 0.00 0.00 0.00 174.94 173.37 1jsa s THR 44 N -3.28 0.90 0.64 2.92 2.01 -1.26 -2.05 115.64 115.52 1jsa s THR 44 Ca 0.58 -1.33 0.25 0.00 0.31 0.00 0.00 61.69 61.50 1jsa s THR 44 Cb -0.11 -1.01 0.28 0.00 0.01 0.00 0.00 72.50 71.67 1jsa s THR 44 CO 0.53 -0.36 1.74 0.08 -0.69 0.00 0.00 174.62 175.92 1jsa h ARG 45 N 4.16 0.00 -0.05 4.92 -0.00 -1.98 0.67 114.38 122.10 1jsa h ARG 45 Ca -0.38 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.42 1jsa h ARG 45 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.16 1jsa h ARG 45 CO 0.44 0.00 -0.75 1.96 -0.00 0.00 0.00 179.97 181.62 1jsa h GLN 46 N 0.00 0.30 0.06 0.08 4.20 -2.00 -3.29 115.11 114.47 1jsa h GLN 46 Ca 0.09 -0.26 -0.32 0.00 0.06 0.00 0.00 58.65 58.22 1jsa h GLN 46 Cb 1.15 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1jsa h GLN 46 CO -0.00 0.92 -1.80 1.49 -0.67 0.00 0.00 178.83 178.77 1jsa h GLU 47 N 0.20 0.13 -1.43 1.46 4.81 -0.15 -3.34 114.58 116.26 1jsa h GLU 47 Ca -0.03 -0.23 0.42 0.00 -0.13 0.00 0.00 59.36 59.39 1jsa h GLU 47 Cb 1.33 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.71 1jsa h GLU 47 CO 0.12 0.86 1.00 0.35 -0.73 0.00 0.00 179.01 180.61 1jsa h PHE 48 N 0.04 0.19 0.00 0.92 3.57 -1.02 1.98 116.94 122.62 1jsa h PHE 48 Ca -0.33 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 1jsa h PHE 48 Cb 2.02 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.71 1jsa h PHE 48 CO 0.04 -0.04 -0.07 0.37 -2.23 0.00 0.00 178.31 176.38 1jsa h GLN 49 N 0.07 0.00 0.00 1.11 4.15 -1.69 -2.27 115.11 116.48 1jsa h GLN 49 Ca 0.73 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.15 1jsa h GLN 49 Cb 2.68 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.37 1jsa h GLN 49 CO -0.13 0.07 0.00 2.41 -1.93 0.00 0.00 178.83 179.25 1jsa n THR 50 N -3.24 0.62 0.00 2.39 -1.04 0.67 -1.74 114.28 111.94 1jsa n THR 50 Ca -0.00 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 61.80 1jsa n THR 50 Cb 0.30 -0.78 -0.14 0.00 -1.82 0.00 0.00 70.33 67.88 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 0.78 -0.00 12.58 2.04 -1.43 -3.35 117.51 128.13 1jsa h ILE 51 Ca 0.00 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.32 1jsa h ILE 51 Cb 0.55 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1jsa h ILE 51 CO 0.00 0.73 -0.41 -1.22 0.00 0.00 0.00 178.15 177.25 1jsa n TYR 52 N -3.31 0.00 0.58 1.37 4.02 -1.19 -3.69 117.16 114.94 1jsa n TYR 52 Ca -0.24 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.78 1jsa n TYR 52 Cb 1.05 -0.28 0.32 0.00 -0.02 0.00 0.00 39.34 40.41 1jsa n TYR 52 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1jsa h SER 53 N 0.06 0.00 0.00 7.72 4.64 -1.47 -3.36 113.55 121.14 1jsa h SER 53 Ca 0.00 -0.05 -0.22 0.00 -0.47 0.00 0.00 61.79 61.05 1jsa h SER 53 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1jsa h SER 53 CO 0.00 0.03 -1.25 0.29 -0.87 0.00 0.00 176.83 175.03 1jsa n LYS 54 N -2.28 0.55 0.00 4.77 5.02 -1.24 -4.96 118.16 120.02 1jsa n LYS 54 Ca 0.05 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1jsa n LYS 54 Cb 0.44 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1jsa n LYS 54 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jsa n PHE 55 N -4.44 -1.42 -1.45 2.13 3.72 -1.25 -4.91 117.46 109.83 1jsa n PHE 55 Ca -0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 1jsa n PHE 55 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 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 -1.68 -3.97 0.00 1.38 3.72 -1.26 -4.74 117.46 110.91 1jsa n PHE 56 Ca 0.00 2.15 0.00 0.00 -0.05 0.00 0.00 57.45 59.55 1jsa n PHE 56 Cb 0.00 -3.37 0.00 0.00 -0.94 0.00 0.00 39.48 35.17 1jsa n PHE 56 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1jsa n PRO 57 N -2.43 0.00 -0.93 -1.08 -0.02 -1.26 -4.71 135.00 124.56 1jsa n PRO 57 Ca 0.00 0.70 -0.05 0.00 -2.02 0.00 0.00 63.50 62.13 1jsa n PRO 57 Cb 0.42 -1.47 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 1jsa n PRO 57 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1jsa n GLU 58 N -2.35 0.06 0.00 -0.52 -0.00 -1.26 -5.13 120.64 111.44 1jsa n GLU 58 Ca 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 57.16 56.47 1jsa n GLU 58 Cb 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 31.44 31.93 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jsa n ALA 59 N -0.07 0.00 -2.79 -1.84 0.00 -1.26 -5.04 120.51 109.51 1jsa n ALA 59 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1jsa n ALA 59 Cb 0.57 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.23 -0.15 0.00 8.00 -1.19 -4.94 116.55 116.04 1jsa n ASP 60 Ca 0.00 -3.46 0.00 0.00 0.71 0.00 0.00 54.79 52.04 1jsa n ASP 60 Cb 0.00 1.60 0.00 0.00 -0.02 0.00 0.00 41.12 42.70 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 0.91 0.40 -0.35 -0.24 -0.04 -1.26 -4.02 135.00 130.39 1jsa n PRO 61 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1jsa n PRO 61 Cb 0.66 -1.06 0.03 0.00 -0.04 0.00 0.00 33.50 33.09 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 0.18 -0.03 -0.70 0.54 1.57 -1.92 0.88 116.57 117.10 1jsa h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1jsa h LYS 62 Cb 0.06 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1jsa h LYS 62 CO 0.00 -0.02 0.45 0.00 -0.57 0.00 0.00 179.45 179.31 1jsa h ALA 63 N 1.28 1.48 0.00 3.86 0.00 -1.91 -0.52 119.26 123.46 1jsa h ALA 63 Ca 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jsa h ALA 63 Cb 0.58 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jsa h ALA 63 CO -0.94 0.47 0.00 -0.92 0.00 0.00 0.00 179.25 177.86 1jsa h TYR 64 N 0.95 0.00 0.09 0.00 5.03 0.37 -2.88 116.97 120.53 1jsa h TYR 64 Ca 0.25 0.00 -0.31 0.00 2.58 0.00 0.00 58.73 61.25 1jsa h TYR 64 Cb -0.09 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1jsa h TYR 64 CO 0.00 0.00 -1.64 0.00 -1.32 0.00 0.00 178.16 175.20 1jsa h ALA 65 N 2.22 0.40 0.00 1.82 0.00 0.81 -3.30 119.26 121.21 1jsa h ALA 65 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1jsa h ALA 65 Cb 0.47 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1jsa h ALA 65 CO 0.00 1.26 0.00 1.04 0.00 0.00 0.00 179.25 181.55 1jsa n GLN 66 N -3.38 0.02 0.08 0.00 6.02 -0.94 -3.04 117.38 116.14 1jsa n GLN 66 Ca -0.19 0.03 0.01 0.00 -0.01 0.00 0.00 57.00 56.84 1jsa n GLN 66 Cb 1.04 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.77 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 -1.59 -3.27 115.15 115.23 1jsa h HIS 67 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jsa h HIS 67 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1jsa h HIS 67 CO 0.00 0.57 0.00 0.28 0.86 0.00 0.00 177.93 179.64 1jsa n VAL 68 N -3.07 0.40 0.00 2.45 0.31 -1.17 -3.94 118.33 113.31 1jsa n VAL 68 Ca -0.04 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1jsa n VAL 68 Cb 0.80 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 -1.46 0.00 0.28 3.52 7.35 -1.23 -2.94 117.46 122.98 1jsa n PHE 69 Ca 0.07 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.83 1jsa n PHE 69 Cb 0.25 0.00 0.32 0.00 0.35 0.00 0.00 39.48 40.40 1jsa n PHE 69 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1jsa h ARG 70 N 0.00 0.00 -0.28 -4.13 2.43 -1.82 0.94 114.38 111.52 1jsa h ARG 70 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1jsa h ARG 70 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1jsa h ARG 70 CO 0.00 0.00 0.15 0.77 -1.51 0.00 0.00 179.97 179.38 1jsa h SER 71 N 0.00 0.34 -0.31 -3.80 0.02 -1.65 -3.34 113.55 104.81 1jsa h SER 71 Ca 0.04 -0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.72 1jsa h SER 71 Cb 1.61 -0.08 -0.23 0.00 0.14 0.00 0.00 62.40 63.83 1jsa h SER 71 CO -0.00 0.28 -0.62 0.33 -1.14 0.00 0.00 176.83 175.68 1jsa n PHE 72 N -4.46 -1.23 -2.04 3.45 7.35 0.32 -4.71 117.46 116.14 1jsa n PHE 72 Ca 0.01 -2.16 -0.00 0.00 -0.76 0.00 0.00 57.45 54.54 1jsa n PHE 72 Cb 0.10 0.95 -0.00 0.00 0.35 0.00 0.00 39.48 40.88 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 -0.53 -0.01 -1.13 -2.13 2.03 -0.79 -4.87 116.55 109.12 1jsa n ASP 73 Ca -0.00 -1.58 0.02 0.00 0.52 0.00 0.00 54.79 53.75 1jsa n ASP 73 Cb 0.84 -0.08 0.25 0.00 -0.72 0.00 0.00 41.12 41.41 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 0.04 3.63 -1.29 -1.67 0.00 -1.26 -3.85 120.51 116.11 1jsa n ALA 74 Ca -0.02 -2.58 -0.38 0.00 0.00 0.00 0.00 53.44 50.46 1jsa n ALA 74 Cb 0.66 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.68 8.65 -3.86 0.00 6.94 -1.26 -4.59 115.26 120.47 1jsa n ASN 75 Ca 0.28 -2.56 -0.34 0.00 -0.02 0.00 0.00 54.58 51.93 1jsa n ASN 75 Cb 1.01 -1.55 0.02 0.00 -2.36 0.00 0.00 39.78 36.90 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 3.57 -3.86 0.08 0.53 2.88 -1.26 -4.83 113.62 110.72 1jsa n SER 76 Ca 0.78 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1jsa n SER 76 Cb 0.24 -2.82 0.00 0.00 -0.75 0.00 0.00 64.21 60.88 1jsa n SER 76 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1jsa n ASP 77 N -2.61 -0.39 0.00 -3.46 5.75 -1.26 -5.04 116.55 109.53 1jsa n ASP 77 Ca -0.15 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1jsa n ASP 77 Cb 0.61 0.51 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jsa n GLY 78 N 1.09 0.49 3.23 6.12 0.00 -1.25 -5.06 105.19 109.81 1jsa n GLY 78 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1jsa n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 79 N -2.00 0.10 -0.10 2.61 -4.23 -1.26 -4.89 115.64 105.87 1jsa s THR 79 Ca 0.00 -0.81 -0.18 0.00 -1.18 0.00 0.00 61.69 59.53 1jsa s THR 79 Cb 0.00 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 1jsa s THR 79 CO 0.00 -0.44 0.47 -0.76 -0.54 0.00 0.00 174.62 173.34 1jsa s LEU 80 N -2.24 4.30 0.09 4.79 1.43 -0.87 -4.89 118.68 121.29 1jsa s LEU 80 Ca -0.03 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1jsa s LEU 80 Cb 0.00 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1jsa s LEU 80 CO -0.05 0.05 0.23 -0.62 0.23 0.00 0.00 176.35 176.19 1jsa s ASP 81 N 0.39 6.35 0.35 2.29 -1.08 -1.26 -2.00 116.67 121.71 1jsa s ASP 81 Ca 0.26 0.23 0.16 0.00 -0.52 0.00 0.00 52.55 52.68 1jsa s ASP 81 Cb -0.15 -1.94 1.12 0.00 -1.46 0.00 0.00 42.92 40.49 1jsa s ASP 81 CO 0.11 0.13 1.67 0.15 0.52 0.00 0.00 175.17 177.74 1jsa h PHE 82 N 2.75 0.88 -0.96 -5.34 3.57 -1.98 0.85 116.94 116.71 1jsa h PHE 82 Ca -0.46 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.14 1jsa h PHE 82 Cb 1.17 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 1jsa h PHE 82 CO 0.58 -0.17 0.61 -0.22 -2.23 0.00 0.00 178.31 176.89 1jsa h LYS 83 N 0.31 1.08 0.02 1.11 3.64 -1.98 -1.67 116.57 119.08 1jsa h LYS 83 Ca 0.74 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.83 1jsa h LYS 83 Cb 1.75 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1jsa h LYS 83 CO -0.57 0.72 -0.96 0.93 -2.27 0.00 0.00 179.45 177.30 1jsa h GLU 84 N 1.11 0.30 -0.84 1.90 5.08 0.25 -3.24 114.58 119.15 1jsa h GLU 84 Ca 0.42 -0.35 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1jsa h GLU 84 Cb 0.17 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1jsa h GLU 84 CO -0.18 1.06 0.52 -0.92 -1.00 0.00 0.00 179.01 178.49 1jsa h TYR 85 N 0.16 0.95 -1.01 4.33 3.20 -0.17 -1.15 116.97 123.29 1jsa h TYR 85 Ca -0.07 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.89 1jsa h TYR 85 Cb 1.61 -0.31 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 1jsa h TYR 85 CO 0.05 0.47 0.65 0.28 -1.64 0.00 0.00 178.16 177.98 1jsa h VAL 86 N 0.94 1.10 0.74 1.81 2.07 -1.39 -0.36 116.25 121.15 1jsa h VAL 86 Ca 0.37 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1jsa h VAL 86 Cb 0.19 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1jsa h VAL 86 CO -0.18 0.22 -0.48 0.40 0.02 0.00 0.00 177.57 177.55 1jsa h ILE 87 N 1.20 0.04 0.17 4.57 1.08 -1.30 0.74 117.51 124.01 1jsa h ILE 87 Ca 0.43 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.89 1jsa h ILE 87 Cb 0.14 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 1jsa h ILE 87 CO -0.17 0.00 -0.08 0.00 -0.69 0.00 0.00 178.15 177.21 1jsa h ALA 88 N -1.05 -1.03 -1.22 1.87 0.00 -1.23 2.29 119.26 118.90 1jsa h ALA 88 Ca -0.10 -0.05 0.40 0.00 0.00 0.00 0.00 54.91 55.16 1jsa h ALA 88 Cb 0.93 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 1jsa h ALA 88 CO 0.08 -1.01 0.77 1.25 0.00 0.00 0.00 179.25 180.34 1jsa h LEU 89 N -0.23 0.31 0.10 0.00 7.12 -1.16 -0.44 115.31 121.00 1jsa h LEU 89 Ca -0.02 0.15 -0.32 0.00 0.13 0.00 0.00 57.88 57.82 1jsa h LEU 89 Cb 0.17 0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.42 1jsa h LEU 89 CO 0.04 -0.17 -1.70 -0.74 -0.13 0.00 0.00 178.44 175.74 1jsa h HIS 90 N 0.14 0.38 0.00 1.25 2.76 -0.65 -3.32 115.15 115.71 1jsa h HIS 90 Ca 0.79 -0.28 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 1jsa h HIS 90 Cb 2.32 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 31.26 1jsa h HIS 90 CO -0.01 1.67 0.38 1.98 -1.30 0.00 0.00 177.93 180.66 1jsa h MET 91 N -0.25 0.00 -1.09 5.26 1.85 0.55 -1.19 114.93 120.06 1jsa h MET 91 Ca -0.38 0.00 0.31 0.00 -0.61 0.00 0.00 59.70 59.02 1jsa h MET 91 Cb 1.82 0.00 -0.11 0.00 0.43 0.00 0.00 31.60 33.74 1jsa h MET 91 CO 0.02 0.00 0.69 0.00 -0.40 0.00 0.00 176.91 177.22 1jsa h THR 92 N 0.00 0.40 -0.46 -0.77 1.03 -1.48 -3.40 112.91 108.24 1jsa h THR 92 Ca 0.00 -0.11 0.23 0.00 -0.01 0.00 0.00 66.41 66.51 1jsa h THR 92 Cb 0.76 0.04 -0.23 0.00 -1.07 0.00 0.00 68.15 67.65 1jsa h THR 92 CO 0.00 0.06 0.24 -0.55 -0.01 0.00 0.00 175.52 175.26 1jsa s SER 93 N -5.03 -0.40 0.00 0.00 0.15 -0.45 -5.04 113.70 102.93 1jsa s SER 93 Ca -0.09 0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1jsa s SER 93 Cb 0.27 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.97 1jsa s SER 93 CO 0.80 -0.08 0.62 0.00 1.20 0.00 0.00 173.24 175.78 1jsa n ALA 94 N 5.17 2.05 0.00 5.45 0.00 -1.26 -5.02 120.51 126.89 1jsa n ALA 94 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1jsa n ALA 94 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 3.76 0.00 0.00 0.00 -1.26 -3.59 105.19 104.10 1jsa n GLY 95 Ca -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.26 0.00 0.06 1.61 5.02 -1.26 -4.42 118.16 118.91 1jsa n LYS 96 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1jsa n LYS 96 Cb 0.00 -0.04 0.07 0.00 -0.02 0.00 0.00 35.03 35.04 1jsa n LYS 96 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1jsa n THR 97 N -0.31 0.55 -2.41 -0.18 -2.24 -1.26 -4.53 114.28 103.90 1jsa n THR 97 Ca 0.00 0.59 -0.38 0.00 -2.27 0.00 0.00 64.05 61.99 1jsa n THR 97 Cb 0.00 -1.59 -0.03 0.00 -2.10 0.00 0.00 70.33 66.61 1jsa n THR 97 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jsa s ASN 98 N -2.58 6.68 0.17 3.42 2.47 -1.26 -4.94 114.94 118.90 1jsa s ASN 98 Ca -0.00 2.21 -0.32 0.00 0.42 0.00 0.00 52.86 55.18 1jsa s ASN 98 Cb 0.01 -2.60 -0.11 0.00 -1.45 0.00 0.00 41.25 37.09 1jsa s ASN 98 CO 0.02 -0.55 1.75 -1.58 -3.72 0.00 0.00 177.10 173.02 1jsa s GLN 99 N -2.29 4.14 0.00 0.43 -0.44 -1.26 -4.73 119.66 115.51 1jsa s GLN 99 Ca 0.56 2.58 0.00 0.00 -2.50 0.00 0.00 55.36 56.00 1jsa s GLN 99 Cb -0.27 -3.31 0.00 0.00 -1.64 0.00 0.00 33.01 27.78 1jsa s GLN 99 CO 0.34 -0.78 0.09 0.36 0.50 0.00 0.00 175.29 175.81 1jsa n LYS 100 N 4.74 0.00 0.06 1.67 2.85 -1.26 -4.93 118.16 121.29 1jsa n LYS 100 Ca 0.16 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.21 1jsa n LYS 100 Cb 0.37 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.60 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1jsa h LEU 101 N 0.00 0.53 -0.87 -5.58 3.38 -1.97 -3.37 115.31 107.43 1jsa h LEU 101 Ca 0.00 -0.83 0.16 0.00 0.09 0.00 0.00 57.88 57.29 1jsa h LEU 101 Cb 0.39 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 40.81 1jsa h LEU 101 CO 0.00 1.71 -0.30 -0.08 0.09 0.00 0.00 178.44 179.86 1jsa h GLU 102 N 0.09 -0.03 -0.43 1.13 4.57 -1.93 0.92 114.58 118.90 1jsa h GLU 102 Ca -0.34 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 57.93 1jsa h GLU 102 Cb 2.07 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.65 1jsa h GLU 102 CO 0.16 -0.02 0.29 -1.49 -1.18 0.00 0.00 179.01 176.77 1jsa h TRP 103 N -0.03 0.24 -0.08 0.92 6.55 -1.99 -0.97 115.95 120.59 1jsa h TRP 103 Ca 0.36 0.01 -0.08 0.00 0.95 0.00 0.00 58.89 60.13 1jsa h TRP 103 Cb 0.61 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.82 1jsa h TRP 103 CO -0.74 0.12 -0.31 0.00 -1.05 0.00 0.00 178.44 176.46 1jsa h ALA 104 N 1.78 1.35 -0.16 1.49 0.00 0.71 -2.52 119.26 121.92 1jsa h ALA 104 Ca 0.20 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1jsa h ALA 104 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jsa h ALA 104 CO -0.04 0.46 0.14 0.35 0.00 0.00 0.00 179.25 180.17 1jsa h PHE 105 N 0.13 0.00 -0.06 0.00 3.57 -0.79 0.06 116.94 119.84 1jsa h PHE 105 Ca 0.02 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.35 1jsa h PHE 105 Cb 0.61 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1jsa h PHE 105 CO 0.01 0.00 -0.67 0.77 -2.23 0.00 0.00 178.31 176.18 1jsa h SER 106 N 0.00 0.32 0.26 0.41 0.02 -1.55 -1.47 113.55 111.55 1jsa h SER 106 Ca 0.07 -0.20 -0.25 0.00 -0.84 0.00 0.00 61.79 60.57 1jsa h SER 106 Cb 0.36 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1jsa h SER 106 CO -0.00 0.90 -1.04 0.25 -1.14 0.00 0.00 176.83 175.80 1jsa h LEU 107 N 0.19 0.66 -0.02 5.07 7.12 -1.11 -3.14 115.31 124.07 1jsa h LEU 107 Ca -0.02 -0.55 0.00 0.00 0.13 0.00 0.00 57.88 57.44 1jsa h LEU 107 Cb 1.21 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1jsa h LEU 107 CO 0.11 1.36 0.00 -1.22 -0.13 0.00 0.00 178.44 178.56 1jsa n TYR 108 N -3.75 0.32 -2.95 1.25 4.01 -0.55 -4.10 117.16 111.39 1jsa n TYR 108 Ca -0.09 0.10 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1jsa n TYR 108 Cb 0.89 -0.66 0.01 0.00 -0.31 0.00 0.00 39.34 39.27 1jsa n TYR 108 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1jsa n ASP 109 N -1.77 6.55 0.00 7.72 2.03 -0.56 -4.73 116.55 125.81 1jsa n ASP 109 Ca 0.06 -3.47 0.00 0.00 0.52 0.00 0.00 54.79 51.90 1jsa n ASP 109 Cb 0.36 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1jsa n ASP 109 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1jsa n VAL 110 N 1.06 0.00 -0.25 5.18 0.31 -1.26 0.23 118.33 123.60 1jsa n VAL 110 Ca 0.30 1.08 0.32 0.00 -0.01 0.00 0.00 64.34 66.03 1jsa n VAL 110 Cb 0.32 -1.50 0.65 0.00 -0.91 0.00 0.00 33.84 32.40 1jsa n VAL 110 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1jsa h ASP 111 N 0.00 0.00 -4.71 4.52 2.03 -1.95 -3.45 116.42 112.86 1jsa h ASP 111 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 1jsa h ASP 111 Cb 0.00 0.00 0.14 0.00 -0.83 0.00 0.00 39.33 38.64 1jsa h ASP 111 CO 0.00 0.00 -0.60 0.61 -1.03 0.00 0.00 179.24 178.22 1jsa n GLY 112 N -1.71 -0.53 0.00 7.15 0.00 0.62 -5.04 105.19 105.69 1jsa n GLY 112 Ca 0.23 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1jsa n GLY 112 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jsa n ASN 113 N -2.70 0.00 0.00 1.61 0.23 -1.26 -5.05 115.26 108.08 1jsa n ASN 113 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 1jsa n ASN 113 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jsa n GLY 114 N 5.00 0.33 3.03 4.83 0.00 -1.26 -5.07 105.19 112.05 1jsa n GLY 114 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.90 0.07 0.13 2.61 -4.23 -1.26 -3.60 115.64 108.46 1jsa s THR 115 Ca 0.00 -0.56 -0.17 0.00 -1.18 0.00 0.00 61.69 59.79 1jsa s THR 115 Cb 0.00 -0.29 -0.07 0.00 1.34 0.00 0.00 72.50 73.48 1jsa s THR 115 CO 0.00 -0.31 0.58 -0.63 -0.54 0.00 0.00 174.62 173.72 1jsa s ILE 116 N -0.99 4.78 0.54 2.99 1.01 0.13 -4.86 121.20 124.81 1jsa s ILE 116 Ca -0.11 1.01 0.03 0.00 0.00 0.00 0.00 60.65 61.57 1jsa s ILE 116 Cb -0.06 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1jsa s ILE 116 CO 0.00 0.33 0.21 -0.24 0.00 0.00 0.00 174.94 175.24 1jsa n SER 117 N 1.07 3.14 -0.01 3.58 2.88 -1.26 -2.41 113.62 120.60 1jsa n SER 117 Ca -0.06 -3.13 -0.17 0.00 -1.33 0.00 0.00 58.87 54.18 1jsa n SER 117 Cb 0.51 0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 64.04 1jsa n SER 117 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jsa h LYS 118 N 0.00 0.46 -0.49 -1.46 3.64 -1.98 -2.74 116.57 114.01 1jsa h LYS 118 Ca -0.40 -0.43 0.04 0.00 -1.27 0.00 0.00 60.65 58.60 1jsa h LYS 118 Cb 1.31 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.21 1jsa h LYS 118 CO 0.64 1.07 0.32 -0.97 -2.27 0.00 0.00 179.45 178.25 1jsa h ASN 119 N 0.00 0.42 -0.08 4.20 -1.24 -2.00 -1.88 115.58 115.00 1jsa h ASN 119 Ca -0.05 -0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.89 1jsa h ASN 119 Cb 1.23 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.18 1jsa h ASN 119 CO 0.11 0.29 -0.20 -0.33 -1.29 0.00 0.00 177.43 176.00 1jsa h GLU 120 N 0.49 0.28 -0.07 6.67 5.08 -1.95 -2.95 114.58 122.13 1jsa h GLU 120 Ca 0.20 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1jsa h GLU 120 Cb 0.19 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1jsa h GLU 120 CO -0.05 0.80 0.11 0.28 -1.00 0.00 0.00 179.01 179.15 1jsa h VAL 121 N -0.19 0.35 -0.52 3.13 2.07 -1.09 -1.18 116.25 118.82 1jsa h VAL 121 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1jsa h VAL 121 Cb 0.81 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1jsa h VAL 121 CO 0.04 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.75 1jsa h LEU 122 N 0.00 0.73 0.16 2.57 3.38 -1.18 -2.07 115.31 118.90 1jsa h LEU 122 Ca 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1jsa h LEU 122 Cb 0.25 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jsa h LEU 122 CO -0.00 0.71 -0.08 -0.33 0.09 0.00 0.00 178.44 178.84 1jsa h GLU 123 N 0.70 -0.20 -0.63 1.13 4.39 -1.29 0.20 114.58 118.88 1jsa h GLU 123 Ca 0.17 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.01 1jsa h GLU 123 Cb 0.23 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 28.80 1jsa h GLU 123 CO -0.01 0.16 -0.24 0.82 -1.16 0.00 0.00 179.01 178.58 1jsa h ILE 124 N -0.61 0.26 -0.02 3.13 1.08 -1.46 0.16 117.51 120.05 1jsa h ILE 124 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1jsa h ILE 124 Cb 0.46 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1jsa h ILE 124 CO 0.04 0.00 -0.02 0.58 -0.69 0.00 0.00 178.15 178.06 1jsa h VAL 125 N -0.07 1.37 -0.68 1.67 2.07 -1.37 -2.65 116.25 116.59 1jsa h VAL 125 Ca 0.28 -1.13 0.13 0.00 0.82 0.00 0.00 66.70 66.80 1jsa h VAL 125 Cb 0.52 2.09 -0.13 0.00 -1.52 0.00 0.00 31.29 32.25 1jsa h VAL 125 CO -0.68 0.30 -0.20 0.74 0.02 0.00 0.00 177.57 177.75 1jsa h THR 126 N -0.41 0.28 0.52 2.57 2.02 0.36 0.52 112.91 118.78 1jsa h THR 126 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1jsa h THR 126 Cb 0.50 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1jsa h THR 126 CO 0.00 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 175.52 1jsa h ALA 127 N 1.59 -1.14 -0.88 6.16 0.00 -0.70 -2.47 119.26 121.83 1jsa h ALA 127 Ca 0.32 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1jsa h ALA 127 Cb 0.52 0.54 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1jsa h ALA 127 CO -0.71 -1.12 -0.34 0.82 0.00 0.00 0.00 179.25 177.89 1jsa h ILE 128 N -0.86 0.06 -0.98 0.00 2.04 -0.93 1.26 117.51 118.10 1jsa h ILE 128 Ca -0.07 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.06 1jsa h ILE 128 Cb 0.71 0.06 -0.13 0.00 -0.74 0.00 0.00 36.82 36.72 1jsa h ILE 128 CO 0.03 0.00 0.53 0.15 0.00 0.00 0.00 178.15 178.86 1jsa h PHE 129 N -0.04 0.88 -0.58 1.37 3.04 -0.66 1.66 116.94 122.61 1jsa h PHE 129 Ca 0.34 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.35 1jsa h PHE 129 Cb 0.60 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 1jsa h PHE 129 CO -0.78 -0.05 0.38 -0.22 -2.02 0.00 0.00 178.31 175.62 1jsa h LYS 130 N 0.44 0.66 0.00 1.11 1.63 0.20 0.29 116.57 120.91 1jsa h LYS 130 Ca 0.65 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.40 1jsa h LYS 130 Cb 1.33 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1jsa h LYS 130 CO -0.54 0.44 -0.06 1.98 -3.45 0.00 0.00 179.45 177.82 1jsa h MET 131 N 0.68 0.00 -6.80 1.90 4.05 0.29 -3.15 114.93 111.90 1jsa h MET 131 Ca 0.23 0.00 -0.49 0.00 -0.28 0.00 0.00 59.70 59.16 1jsa h MET 131 Cb 0.07 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1jsa h MET 131 CO -0.06 0.06 0.14 0.42 0.23 0.00 0.00 176.91 177.70 1jsa s ILE 132 N -4.16 4.66 0.10 1.77 1.01 0.10 -4.49 121.20 120.19 1jsa s ILE 132 Ca -0.03 0.97 0.06 0.00 0.00 0.00 0.00 60.65 61.65 1jsa s ILE 132 Cb 0.13 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1jsa s ILE 132 CO 0.53 -0.28 -0.03 -0.55 0.00 0.00 0.00 174.94 174.62 1jsa s SER 133 N -2.44 4.81 0.40 3.58 0.15 -1.26 -4.87 113.70 114.08 1jsa s SER 133 Ca 0.55 -0.25 0.17 0.00 0.70 0.00 0.00 55.95 57.11 1jsa s SER 133 Cb -0.10 -1.07 1.05 0.00 -1.71 0.00 0.00 66.02 64.19 1jsa s SER 133 CO 0.20 0.17 1.83 -0.65 1.20 0.00 0.00 173.24 175.99 1jsa h PRO 134 N 3.46 0.43 -0.61 5.44 0.11 -1.97 0.34 132.00 139.20 1jsa h PRO 134 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1jsa h PRO 134 Cb 1.17 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1jsa h PRO 134 CO 0.57 0.28 0.35 1.49 -0.21 0.00 0.00 178.00 180.48 1jsa h GLU 135 N 0.44 0.83 -0.50 1.05 4.22 -2.04 -1.96 114.58 116.62 1jsa h GLU 135 Ca 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.87 1jsa h GLU 135 Cb 1.20 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1jsa h GLU 135 CO -0.21 0.59 0.00 -3.47 -2.18 0.00 0.00 179.01 173.74 1jsa n ASP 136 N -4.40 3.63 -0.03 1.04 2.03 0.96 -4.22 116.55 115.56 1jsa n ASP 136 Ca 0.06 -1.99 0.14 0.00 0.52 0.00 0.00 54.79 53.51 1jsa n ASP 136 Cb 0.09 -0.33 0.53 0.00 -0.72 0.00 0.00 41.12 40.69 1jsa n ASP 136 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1jsa n THR 137 N 1.54 0.00 -0.01 5.18 -1.04 0.11 -3.80 114.28 116.26 1jsa n THR 137 Ca 0.21 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 62.03 1jsa n THR 137 Cb 0.61 -0.21 -0.09 0.00 -1.82 0.00 0.00 70.33 68.83 1jsa n THR 137 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1jsa h LYS 138 N 0.13 0.67 0.00 -2.82 6.56 -1.73 -3.36 116.57 116.01 1jsa h LYS 138 Ca 0.00 -0.59 0.00 0.00 -1.06 0.00 0.00 60.65 59.00 1jsa h LYS 138 Cb 0.45 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1jsa h LYS 138 CO 0.00 1.20 0.00 0.72 -2.06 0.00 0.00 179.45 179.31 1jsa n HIS 139 N -4.03 0.00 -1.28 -1.35 8.25 -1.25 -4.65 115.22 110.91 1jsa n HIS 139 Ca -0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.97 1jsa n HIS 139 Cb 0.73 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1jsa n HIS 139 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1jsa n LEU 140 N -2.31 -3.15 -4.68 2.41 -0.00 -1.26 -4.73 117.00 103.27 1jsa n LEU 140 Ca 0.00 0.75 -0.46 0.00 -0.00 0.00 0.00 56.01 56.31 1jsa n LEU 140 Cb 0.00 -0.87 -0.04 0.00 -0.00 0.00 0.00 43.42 42.51 1jsa n LEU 140 CO 0.00 -4.40 1.32 -2.65 -0.00 0.00 0.00 177.39 171.66 1jsa n PRO 141 N 1.39 2.30 -0.14 1.47 -0.01 -1.26 -4.86 135.00 133.90 1jsa n PRO 141 Ca 0.10 0.84 0.09 0.00 -0.01 0.00 0.00 63.50 64.52 1jsa n PRO 141 Cb 0.42 -2.65 0.42 0.00 -0.01 0.00 0.00 33.50 31.69 1jsa n PRO 141 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1jsa h GLU 142 N 7.15 0.57 0.00 -0.52 4.57 -1.85 0.34 114.58 124.85 1jsa h GLU 142 Ca -0.46 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1jsa h GLU 142 Cb 1.25 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1jsa h GLU 142 CO 0.92 0.38 0.00 -3.47 -1.18 0.00 0.00 179.01 175.66 1jsa n ASP 143 N -4.48 0.00 -2.76 1.04 2.03 -1.26 -0.67 116.55 110.45 1jsa n ASP 143 Ca 0.11 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.40 1jsa n ASP 143 Cb 0.30 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.78 1jsa n ASP 143 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1jsa n GLU 144 N -0.73 1.53 0.01 -0.67 4.71 0.11 -4.81 120.64 120.79 1jsa n GLU 144 Ca 0.00 -2.62 0.11 0.00 -0.01 0.00 0.00 57.16 54.64 1jsa n GLU 144 Cb 0.00 -0.80 0.47 0.00 -1.01 0.00 0.00 31.44 30.09 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1jsa n ASN 145 N -0.87 0.09 -4.54 1.62 0.23 0.16 -4.60 115.26 107.34 1jsa n ASN 145 Ca -0.02 0.51 -0.33 0.00 -0.53 0.00 0.00 54.58 54.21 1jsa n ASN 145 Cb 0.83 -0.53 -0.12 0.00 -2.08 0.00 0.00 39.78 37.88 1jsa n ASN 145 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1jsa s THR 146 N -3.02 3.41 0.22 5.53 2.01 -1.26 -5.01 115.64 117.52 1jsa s THR 146 Ca 0.10 -0.61 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 1jsa s THR 146 Cb 0.14 -2.38 0.17 0.00 0.01 0.00 0.00 72.50 70.44 1jsa s THR 146 CO 0.41 0.58 1.78 -0.65 -0.69 0.00 0.00 174.62 176.05 1jsa h PRO 147 N 5.23 0.57 0.00 4.92 0.10 -1.92 0.41 132.00 141.32 1jsa h PRO 147 Ca -0.48 -0.03 -0.02 0.00 0.10 0.00 0.00 66.00 65.57 1jsa h PRO 147 Cb 1.16 -0.13 -0.00 0.00 0.10 0.00 0.00 31.00 32.13 1jsa h PRO 147 CO 0.51 0.38 -0.09 1.49 0.10 0.00 0.00 178.00 180.39 1jsa h GLU 148 N 0.59 0.00 -0.14 1.05 4.81 -1.95 0.33 114.58 119.28 1jsa h GLU 148 Ca 0.33 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.35 1jsa h GLU 148 Cb 0.34 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.72 1jsa h GLU 148 CO -0.26 0.09 -0.78 -0.22 -0.73 0.00 0.00 179.01 177.12 1jsa h LYS 149 N 0.00 0.73 0.01 1.92 3.64 -0.59 -3.26 116.57 119.03 1jsa h LYS 149 Ca -0.00 -0.60 -0.26 0.00 -1.27 0.00 0.00 60.65 58.52 1jsa h LYS 149 Cb 0.46 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1jsa h LYS 149 CO 0.01 1.21 -1.39 0.07 -2.27 0.00 0.00 179.45 177.08 1jsa h ARG 150 N 0.49 0.03 0.00 1.90 0.11 -0.74 -3.27 114.38 112.90 1jsa h ARG 150 Ca -0.05 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1jsa h ARG 150 Cb 1.40 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.49 1jsa h ARG 150 CO 0.16 0.77 0.65 0.00 0.10 0.00 0.00 179.97 181.65 1jsa h ALA 151 N 0.94 1.62 0.04 0.08 0.00 -0.39 1.95 119.26 123.50 1jsa h ALA 151 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 1jsa h ALA 151 Cb 1.91 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.71 1jsa h ALA 151 CO 0.11 -0.62 -1.06 1.49 0.00 0.00 0.00 179.25 179.17 1jsa h GLU 152 N 0.00 0.52 -0.19 0.00 4.22 -1.68 -2.22 114.58 115.24 1jsa h GLU 152 Ca 0.00 -0.61 -0.01 0.00 0.08 0.00 0.00 59.36 58.81 1jsa h GLU 152 Cb 1.31 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1jsa h GLU 152 CO 0.00 1.24 0.06 0.87 -2.18 0.00 0.00 179.01 179.00 1jsa h LYS 153 N 0.27 0.29 0.57 1.92 1.79 0.29 1.42 116.57 123.12 1jsa h LYS 153 Ca -0.12 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.26 1jsa h LYS 153 Cb 1.72 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 32.33 1jsa h LYS 153 CO 0.19 0.40 -0.27 0.82 -1.08 0.00 0.00 179.45 179.51 1jsa h ILE 154 N 0.13 0.00 -0.17 1.86 2.04 -1.57 2.06 117.51 121.86 1jsa h ILE 154 Ca 0.06 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1jsa h ILE 154 Cb 0.22 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1jsa h ILE 154 CO -0.00 0.00 0.12 -0.25 0.00 0.00 0.00 178.15 178.02 1jsa h TRP 155 N -0.85 0.16 0.09 1.37 2.91 -1.44 -1.44 115.95 116.74 1jsa h TRP 155 Ca -0.08 0.00 -0.25 0.00 1.13 0.00 0.00 58.89 59.69 1jsa h TRP 155 Cb 0.58 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.18 1jsa h TRP 155 CO 0.07 0.10 -1.14 0.78 -1.03 0.00 0.00 178.44 177.22 1jsa h GLY 156 N 0.17 0.28 0.52 2.65 0.00 0.21 -2.64 103.07 104.26 1jsa h GLY 156 Ca 0.07 -0.65 0.06 0.00 0.00 0.00 0.00 47.33 46.81 1jsa h GLY 156 CO -0.01 0.57 0.12 0.74 0.00 0.00 0.00 176.54 177.96 1jsa h PHE 157 N 0.09 0.20 0.44 5.60 -1.00 0.44 -3.04 116.94 119.67 1jsa h PHE 157 Ca -0.10 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 1jsa h PHE 157 Cb 1.85 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.39 1jsa h PHE 157 CO 0.05 0.05 -0.21 0.74 -1.61 0.00 0.00 178.31 177.33 1jsa h PHE 158 N 0.27 -0.55 0.00 -0.55 0.04 -1.57 -3.50 116.94 111.08 1jsa h PHE 158 Ca 0.21 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1jsa h PHE 158 Cb 0.24 0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1jsa h PHE 158 CO -0.18 -0.34 0.00 0.41 -0.60 0.00 0.00 178.31 177.59 1jsa n GLY 159 N 0.03 -0.62 6.43 -1.45 0.00 -1.00 -5.14 105.19 103.44 1jsa n GLY 159 Ca -0.07 0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1jsa n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 160 N 0.00 -0.10 0.00 1.61 4.01 -1.26 -4.50 118.16 117.91 1jsa n LYS 160 Ca 0.00 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1jsa n LYS 160 Cb 0.00 -0.12 0.00 0.00 -0.51 0.00 0.00 35.03 34.40 1jsa n LYS 160 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1jsa n LYS 161 N -0.88 0.00 0.11 1.97 4.81 -1.26 -5.03 118.16 117.88 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 0.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jsa n ASP 162 N -1.19 -0.02 -3.69 3.14 5.68 -1.26 -4.91 116.55 114.30 1jsa n ASP 162 Ca 0.00 0.37 -0.40 0.00 -0.50 0.00 0.00 54.79 54.25 1jsa n ASP 162 Cb 0.00 0.26 0.01 0.00 -1.14 0.00 0.00 41.12 40.26 1jsa n ASP 162 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1jsa n ASP 163 N -3.30 6.91 -3.22 -1.12 5.75 -1.26 -4.85 116.55 115.46 1jsa n ASP 163 Ca 0.00 -3.62 0.04 0.00 -0.01 0.00 0.00 54.79 51.20 1jsa n ASP 163 Cb 0.01 -1.15 -0.02 0.00 -1.03 0.00 0.00 41.12 38.94 1jsa n ASP 163 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1jsa s ASP 164 N -1.60 -1.07 0.24 -1.12 1.01 -1.26 -5.13 116.67 107.74 1jsa s ASP 164 Ca 0.38 0.79 0.08 0.00 0.71 0.00 0.00 52.55 54.51 1jsa s ASP 164 Cb 0.16 1.95 -0.04 0.00 1.01 0.00 0.00 42.92 46.00 1jsa s ASP 164 CO -0.07 -0.20 0.09 -0.54 0.21 0.00 0.00 175.17 174.66 1jsa s LYS 165 N 2.86 2.62 0.03 8.23 3.01 -1.26 -4.38 119.74 130.85 1jsa s LYS 165 Ca 0.11 -1.19 -0.20 0.00 -1.01 0.00 0.00 55.97 53.69 1jsa s LYS 165 Cb -0.13 -2.39 -0.06 0.00 -1.01 0.00 0.00 37.83 34.24 1jsa s LYS 165 CO -0.18 0.40 0.57 -1.17 0.51 0.00 0.00 175.35 175.48 1jsa s LEU 166 N -3.63 4.47 0.32 3.17 2.96 -1.01 -4.84 118.68 120.12 1jsa s LEU 166 Ca 0.32 1.18 0.02 0.00 -0.22 0.00 0.00 54.13 55.43 1jsa s LEU 166 Cb -0.08 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 1jsa s LEU 166 CO 0.22 0.19 0.50 -0.89 -1.32 0.00 0.00 176.35 175.06 1jsa s THR 167 N -0.64 5.02 0.53 3.68 2.01 -1.26 0.19 115.64 125.17 1jsa s THR 167 Ca 0.29 -0.63 0.20 0.00 0.31 0.00 0.00 61.69 61.86 1jsa s THR 167 Cb -0.19 -3.81 0.30 0.00 0.01 0.00 0.00 72.50 68.81 1jsa s THR 167 CO 0.18 -0.46 2.14 -0.08 -0.69 0.00 0.00 174.62 175.70 1jsa h GLU 168 N 0.85 0.00 0.32 4.92 4.81 -1.97 -2.13 114.58 121.37 1jsa h GLU 168 Ca -0.50 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1jsa h GLU 168 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1jsa h GLU 168 CO 0.61 0.00 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.51 1jsa h LYS 169 N 0.00 -0.42 -0.90 1.92 1.63 -1.93 -3.26 116.57 113.61 1jsa h LYS 169 Ca 0.04 0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.00 1jsa h LYS 169 Cb 0.16 0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 31.79 1jsa h LYS 169 CO -0.00 -0.28 0.51 0.93 -3.45 0.00 0.00 179.45 177.16 1jsa h GLU 170 N -0.58 0.73 -0.22 1.90 5.08 -1.95 0.89 114.58 120.43 1jsa h GLU 170 Ca -0.04 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1jsa h GLU 170 Cb 0.33 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1jsa h GLU 170 CO 0.07 0.48 0.87 0.35 -1.00 0.00 0.00 179.01 179.78 1jsa h PHE 171 N 0.75 0.00 0.05 4.33 3.57 -1.42 1.28 116.94 125.50 1jsa h PHE 171 Ca 0.48 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.64 1jsa h PHE 171 Cb 0.60 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1jsa h PHE 171 CO -0.06 0.00 -1.97 -0.89 -2.23 0.00 0.00 178.31 173.16 1jsa n ILE 172 N -2.80 1.65 -0.03 1.41 5.41 0.30 -4.17 119.36 121.15 1jsa n ILE 172 Ca 0.04 -0.72 -0.01 0.00 1.00 0.00 0.00 62.75 63.07 1jsa n ILE 172 Cb 0.95 -1.33 -0.00 0.00 -0.71 0.00 0.00 39.64 38.55 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 0.03 0.00 -0.11 0.38 5.08 0.16 -2.18 114.58 117.93 1jsa h GLU 173 Ca -0.40 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1jsa h GLU 173 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 1jsa h GLU 173 CO 0.06 0.00 0.93 0.78 -1.00 0.00 0.00 179.01 179.79 1jsa h GLY 174 N -0.46 0.00 0.50 -3.84 0.00 -1.41 2.29 103.07 100.15 1jsa h GLY 174 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1jsa h GLY 174 CO 0.00 0.00 -2.06 -1.30 0.00 0.00 0.00 176.54 173.18 1jsa n THR 175 N -2.64 1.55 0.13 4.70 -2.24 -1.25 -3.27 114.28 111.26 1jsa n THR 175 Ca 0.02 -0.77 -0.01 0.00 -2.27 0.00 0.00 64.05 61.02 1jsa n THR 175 Cb 0.97 -1.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.43 1jsa n THR 175 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jsa h LEU 176 N 0.01 0.12 0.00 3.22 3.38 0.45 -3.40 115.31 119.09 1jsa h LEU 176 Ca -0.42 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1jsa h LEU 176 Cb 2.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1jsa h LEU 176 CO 0.05 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.17 1jsa n ALA 177 N -2.46 0.00 -1.51 1.53 0.00 -0.50 -4.80 120.51 112.78 1jsa n ALA 177 Ca -0.02 -0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1jsa n ALA 177 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1jsa n ALA 177 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jsa n ASN 178 N -1.14 0.09 0.27 0.00 3.02 -1.20 -4.68 115.26 111.61 1jsa n ASN 178 Ca 0.00 -0.12 0.18 0.00 -0.03 0.00 0.00 54.58 54.61 1jsa n ASN 178 Cb 0.00 -0.91 0.85 0.00 -0.61 0.00 0.00 39.78 39.11 1jsa n ASN 178 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1jsa h LYS 179 N 12.47 0.00 -0.10 3.52 2.10 -1.87 -2.27 116.57 130.43 1jsa h LYS 179 Ca -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 1jsa h LYS 179 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1jsa h LYS 179 CO 1.41 0.00 -0.08 0.93 -2.00 0.00 0.00 179.45 179.71 1jsa h GLU 180 N 0.00 0.14 0.00 0.07 5.08 -1.94 -2.56 114.58 115.37 1jsa h GLU 180 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jsa h GLU 180 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1jsa h GLU 180 CO 0.00 0.23 -0.00 0.82 -1.00 0.00 0.00 179.01 179.06 1jsa h ILE 181 N 0.14 1.67 -0.05 3.13 2.04 -1.73 -3.26 117.51 119.44 1jsa h ILE 181 Ca 0.03 -2.11 0.02 0.00 1.00 0.00 0.00 64.86 63.80 1jsa h ILE 181 Cb 0.24 3.09 -0.04 0.00 -0.74 0.00 0.00 36.82 39.36 1jsa h ILE 181 CO 0.01 0.54 -0.39 0.25 0.00 0.00 0.00 178.15 178.56 1jsa h LEU 182 N -0.92 -1.23 -1.55 1.44 7.12 -1.57 2.52 115.31 121.12 1jsa h LEU 182 Ca -0.00 0.14 0.42 0.00 0.13 0.00 0.00 57.88 58.57 1jsa h LEU 182 Cb 0.89 0.48 -0.11 0.00 -0.53 0.00 0.00 40.66 41.39 1jsa h LEU 182 CO 0.00 -0.37 0.91 -0.09 -0.13 0.00 0.00 178.44 178.76 1jsa h ARG 183 N -0.45 0.11 0.00 1.25 1.12 -1.62 -1.92 114.38 112.87 1jsa h ARG 183 Ca 0.02 -0.01 -0.21 0.00 -1.11 0.00 0.00 59.98 58.67 1jsa h ARG 183 Cb 0.51 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.41 1jsa h ARG 183 CO -0.29 0.07 -1.40 -0.11 -3.11 0.00 0.00 179.97 175.13 1jsa n LEU 184 N -4.51 1.88 0.10 3.80 0.00 0.14 -4.15 117.00 114.26 1jsa n LEU 184 Ca 0.35 0.44 0.02 0.00 0.00 0.00 0.00 56.01 56.82 1jsa n LEU 184 Cb 1.41 -0.88 0.12 0.00 0.00 0.00 0.00 43.42 44.07 1jsa n LEU 184 CO 0.27 0.12 0.67 0.00 0.00 0.00 0.00 177.39 178.44 1jsa n ILE 185 N -4.43 0.45 -1.31 1.96 3.06 0.83 -4.59 119.36 115.33 1jsa n ILE 185 Ca -0.30 0.65 -0.58 0.00 -2.50 0.00 0.00 62.75 60.02 1jsa n ILE 185 Cb 0.62 -1.65 -0.11 0.00 0.54 0.00 0.00 39.64 39.05 1jsa n ILE 185 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jsa n GLN 186 N -1.61 0.27 0.00 9.51 6.02 -0.77 -4.90 117.38 125.91 1jsa n GLN 186 Ca -0.00 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1jsa n GLN 186 Cb 0.45 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1jsa n GLN 186 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1jsa n PHE 187 N 8.00 -3.82 -1.39 1.08 1.16 -1.26 -5.12 117.46 116.10 1jsa n PHE 187 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 56.09 1jsa n PHE 187 Cb 0.03 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.90 1jsa n PHE 187 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98