#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5e s GLU 2 N 0.00 0.10 -0.00 0.03 2.12 -1.26 -5.14 118.70 114.56 1a5e s GLU 2 Ca 0.00 0.22 -0.30 0.00 0.36 0.00 0.00 54.97 55.25 1a5e s GLU 2 Cb 0.00 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 1a5e s GLU 2 CO 0.00 -0.03 1.08 -1.25 -0.54 0.00 0.00 175.26 174.52 1a5e s PRO 3 N 1.73 4.48 -0.48 4.30 0.04 -1.26 -4.96 135.00 138.85 1a5e s PRO 3 Ca -0.03 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.62 1a5e s PRO 3 Cb -0.02 -3.45 0.26 0.00 0.04 0.00 0.00 34.50 31.33 1a5e s PRO 3 CO -0.14 -0.19 0.90 0.00 0.04 0.00 0.00 177.00 177.60 1a5e n ALA 4 N 4.20 -0.98 -0.05 8.56 0.00 -1.26 -5.00 120.51 125.98 1a5e n ALA 4 Ca 0.08 -1.59 -0.11 0.00 0.00 0.00 0.00 53.44 51.82 1a5e n ALA 4 Cb 0.49 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 1a5e n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e h ALA 5 N 3.82 0.26 0.00 0.00 0.00 -2.08 -3.48 119.26 117.78 1a5e h ALA 5 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a5e h ALA 5 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1a5e h ALA 5 CO 0.31 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1a5e n GLY 6 N -0.82 -2.08 3.64 0.00 0.00 -1.26 -5.17 105.19 99.50 1a5e n GLY 6 Ca -0.04 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 1a5e n GLY 6 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5e s SER 7 N -1.09 4.00 -1.33 1.61 0.01 -1.26 -4.75 113.70 110.90 1a5e s SER 7 Ca 0.00 -1.26 -0.02 0.00 1.31 0.00 0.00 55.95 55.97 1a5e s SER 7 Cb 0.00 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.81 1a5e s SER 7 CO 0.00 -0.43 0.59 -1.20 0.41 0.00 0.00 173.24 172.62 1a5e n SER 8 N -1.00 -1.32 0.00 2.44 7.64 -1.26 -4.87 113.62 115.25 1a5e n SER 8 Ca -0.04 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1a5e n SER 8 Cb 0.66 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 60.28 1a5e n SER 8 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1a5e n MET 9 N -4.30 1.44 -3.57 1.43 0.00 -1.26 -5.04 117.12 105.83 1a5e n MET 9 Ca -0.28 -0.98 -0.20 0.00 0.00 0.00 0.00 57.70 56.24 1a5e n MET 9 Cb 0.67 -0.76 0.01 0.00 0.00 0.00 0.00 33.22 33.14 1a5e n MET 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1a5e n GLU 10 N -0.25 -1.34 -1.12 2.12 2.13 -1.26 -4.95 120.64 115.98 1a5e n GLU 10 Ca 0.00 0.87 -0.29 0.00 0.66 0.00 0.00 57.16 58.39 1a5e n GLU 10 Cb 0.36 -3.75 0.24 0.00 0.27 0.00 0.00 31.44 28.56 1a5e n GLU 10 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1a5e n PRO 11 N -2.87 -2.92 -0.01 5.31 -0.04 -1.26 -5.01 135.00 128.20 1a5e n PRO 11 Ca -0.16 -1.76 0.02 0.00 -0.04 0.00 0.00 63.50 61.56 1a5e n PRO 11 Cb 0.61 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1a5e n PRO 11 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a5e n SER 12 N -4.74 3.11 0.04 3.54 7.64 -1.26 -4.54 113.62 117.42 1a5e n SER 12 Ca 0.15 0.00 0.21 0.00 1.01 0.00 0.00 58.87 60.25 1a5e n SER 12 Cb 0.58 1.20 0.73 0.00 -1.01 0.00 0.00 64.21 65.71 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5e h ALA 13 N 0.66 2.26 -0.00 -0.43 0.00 -1.95 0.61 119.26 120.41 1a5e h ALA 13 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a5e h ALA 13 Cb 0.65 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1a5e h ALA 13 CO 0.00 -0.72 0.00 -0.40 0.00 0.00 0.00 179.25 178.13 1a5e n ASP 14 N -3.86 0.07 0.00 0.00 5.75 -1.26 -3.77 116.55 113.48 1a5e n ASP 14 Ca 0.09 -2.00 0.07 0.00 -0.01 0.00 0.00 54.79 52.95 1a5e n ASP 14 Cb 0.67 -0.02 0.38 0.00 -1.03 0.00 0.00 41.12 41.12 1a5e n ASP 14 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1a5e n TRP 15 N -0.47 0.00 -0.01 2.11 7.02 0.21 -3.03 117.44 123.27 1a5e n TRP 15 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1a5e n TRP 15 Cb 0.01 -0.27 -0.08 0.00 -2.42 0.00 0.00 31.31 28.55 1a5e n TRP 15 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1a5e h LEU 16 N 0.00 -0.08 -1.15 -0.99 3.38 -1.81 -2.29 115.31 112.37 1a5e h LEU 16 Ca 0.00 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 1a5e h LEU 16 Cb 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1a5e h LEU 16 CO 0.00 0.59 -0.21 0.00 0.09 0.00 0.00 178.44 178.91 1a5e h ALA 17 N -0.36 1.29 0.42 1.53 0.00 -1.87 -1.63 119.26 118.63 1a5e h ALA 17 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1a5e h ALA 17 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a5e h ALA 17 CO 0.02 0.47 -0.20 1.79 0.00 0.00 0.00 179.25 181.33 1a5e h THR 18 N 0.30 0.00 -0.39 0.00 1.35 -1.63 -2.87 112.91 109.68 1a5e h THR 18 Ca 0.05 -0.59 0.05 0.00 -0.55 0.00 0.00 66.41 65.37 1a5e h THR 18 Cb 0.55 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.93 1a5e h THR 18 CO 0.04 0.00 0.11 0.00 -0.25 0.00 0.00 175.52 175.41 1a5e h ALA 19 N -1.15 0.44 -0.14 6.62 0.00 -1.46 -2.32 119.26 121.25 1a5e h ALA 19 Ca -0.06 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1a5e h ALA 19 Cb 0.43 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1a5e h ALA 19 CO 0.09 -0.29 -0.39 0.00 0.00 0.00 0.00 179.25 178.66 1a5e h ALA 20 N 1.27 -0.74 -0.37 0.00 0.00 -1.39 0.46 119.26 118.49 1a5e h ALA 20 Ca 0.18 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1a5e h ALA 20 Cb 0.19 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1a5e h ALA 20 CO -0.22 -0.89 0.51 0.00 0.00 0.00 0.00 179.25 178.66 1a5e h ALA 21 N -0.58 2.02 -0.49 0.00 0.00 0.83 0.17 119.26 121.21 1a5e h ALA 21 Ca 0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1a5e h ALA 21 Cb 0.47 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 1a5e h ALA 21 CO -0.34 -0.70 0.30 -2.13 0.00 0.00 0.00 179.25 176.38 1a5e n ARG 22 N -3.44 1.80 -4.22 0.00 3.00 0.16 -4.04 116.66 109.91 1a5e n ARG 22 Ca 0.07 -1.56 -0.34 0.00 -0.00 0.00 0.00 57.85 56.02 1a5e n ARG 22 Cb 0.67 -1.64 -0.04 0.00 0.00 0.00 0.00 32.46 31.45 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5e n GLY 23 N -0.27 -0.35 2.93 5.14 0.00 0.58 -4.90 105.19 108.31 1a5e n GLY 23 Ca 0.29 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 1a5e n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5e s ARG 24 N -6.95 1.45 -0.13 1.61 0.52 -0.97 -4.97 118.95 109.51 1a5e s ARG 24 Ca 0.50 -1.94 -0.13 0.00 -0.52 0.00 0.00 55.73 53.64 1a5e s ARG 24 Cb -0.28 -2.95 -0.11 0.00 0.52 0.00 0.00 34.95 32.13 1a5e s ARG 24 CO 0.94 -1.01 0.28 0.28 0.02 0.00 0.00 175.30 175.81 1a5e h VAL 25 N 6.19 0.73 -1.40 3.52 2.07 -1.90 -3.32 116.25 122.14 1a5e h VAL 25 Ca -0.06 -1.59 0.42 0.00 0.82 0.00 0.00 66.70 66.29 1a5e h VAL 25 Cb 0.98 1.43 -0.09 0.00 -1.52 0.00 0.00 31.29 32.08 1a5e h VAL 25 CO 0.55 0.25 0.96 1.05 0.02 0.00 0.00 177.57 180.40 1a5e h GLU 26 N -1.00 0.09 0.26 1.57 4.11 -1.97 1.01 114.58 118.64 1a5e h GLU 26 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1a5e h GLU 26 Cb 0.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1a5e h GLU 26 CO -0.02 0.06 -0.12 0.93 0.07 0.00 0.00 179.01 179.92 1a5e h GLU 27 N 0.09 -0.33 -0.60 1.06 5.08 -1.98 -2.16 114.58 115.73 1a5e h GLU 27 Ca 0.76 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 59.17 1a5e h GLU 27 Cb 2.63 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 31.91 1a5e h GLU 27 CO -0.21 -0.22 0.35 0.28 -1.00 0.00 0.00 179.01 178.21 1a5e h VAL 28 N -0.51 1.03 -0.67 3.13 2.07 -1.35 1.43 116.25 121.38 1a5e h VAL 28 Ca -0.04 -0.23 0.14 0.00 0.82 0.00 0.00 66.70 67.39 1a5e h VAL 28 Cb 0.26 0.29 -0.12 0.00 -1.52 0.00 0.00 31.29 30.20 1a5e h VAL 28 CO 0.06 0.12 -0.08 -0.09 0.02 0.00 0.00 177.57 177.61 1a5e h ARG 29 N 0.68 0.05 0.00 1.57 9.65 0.96 1.04 114.38 128.34 1a5e h ARG 29 Ca 0.25 -0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.96 1a5e h ARG 29 Cb 0.08 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 1a5e h ARG 29 CO -0.13 0.04 -0.99 0.00 2.80 0.00 0.00 179.97 181.69 1a5e h ALA 30 N 1.64 0.20 -0.95 2.80 0.00 -0.81 -3.11 119.26 119.03 1a5e h ALA 30 Ca 0.34 -1.02 0.04 0.00 0.00 0.00 0.00 54.91 54.27 1a5e h ALA 30 Cb 0.55 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1a5e h ALA 30 CO -0.63 0.58 0.62 1.37 0.00 0.00 0.00 179.25 181.18 1a5e h LEU 31 N -1.00 1.01 -0.12 0.00 8.10 0.20 -1.43 115.31 122.08 1a5e h LEU 31 Ca -0.26 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.70 1a5e h LEU 31 Cb 1.15 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 41.15 1a5e h LEU 31 CO -0.16 0.68 -0.04 0.25 -4.11 0.00 0.00 178.44 175.06 1a5e h LEU 32 N 1.17 0.24 -1.54 0.17 6.46 0.10 -2.39 115.31 119.53 1a5e h LEU 32 Ca 0.39 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1a5e h LEU 32 Cb 0.05 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1a5e h LEU 32 CO -0.14 0.58 0.00 -0.08 -0.62 0.00 0.00 178.44 178.19 1a5e h GLU 33 N -0.10 0.00 0.18 1.25 4.81 -1.37 -2.88 114.58 116.48 1a5e h GLU 33 Ca 0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1a5e h GLU 33 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1a5e h GLU 33 CO 0.01 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.21 1a5e h ALA 34 N 1.99 -0.30 0.00 2.92 0.00 -0.73 -3.47 119.26 119.67 1a5e h ALA 34 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1a5e h ALA 34 Cb 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1a5e h ALA 34 CO 0.00 -0.28 -0.06 0.41 0.00 0.00 0.00 179.25 179.32 1a5e n GLY 35 N 1.05 -0.16 3.70 0.00 0.00 -1.10 -5.13 105.19 103.55 1a5e n GLY 35 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1a5e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e s ALA 36 N 0.00 1.29 -0.14 4.61 0.00 -1.12 -4.98 121.76 121.42 1a5e s ALA 36 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 1a5e s ALA 36 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1a5e s ALA 36 CO 0.00 -2.57 0.21 -0.51 0.00 0.00 0.00 175.76 172.89 1a5e s LEU 37 N -6.32 4.30 0.46 0.00 2.01 -1.25 -4.97 118.68 112.93 1a5e s LEU 37 Ca 0.64 0.46 0.26 0.00 0.01 0.00 0.00 54.13 55.50 1a5e s LEU 37 Cb -0.18 -2.21 0.99 0.00 0.01 0.00 0.00 46.19 44.79 1a5e s LEU 37 CO 0.57 0.25 1.85 1.55 1.01 0.00 0.00 176.35 181.57 1a5e h PRO 38 N 5.93 0.00 -1.61 1.29 0.13 -1.85 -3.25 132.00 132.64 1a5e h PRO 38 Ca -0.47 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.16 1a5e h PRO 38 Cb 1.19 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.91 1a5e h PRO 38 CO 0.69 0.17 -0.94 0.09 -0.23 0.00 0.00 178.00 177.78 1a5e n ASN 39 N -3.31 2.95 -4.82 1.44 5.03 -1.26 -4.19 115.26 111.09 1a5e n ASN 39 Ca 0.00 -3.28 -0.35 0.00 0.87 0.00 0.00 54.58 51.82 1a5e n ASN 39 Cb 0.41 -0.53 -0.06 0.00 -1.02 0.00 0.00 39.78 38.58 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5e s ALA 40 N -3.19 3.36 0.23 5.41 0.00 -1.23 -5.03 121.76 121.32 1a5e s ALA 40 Ca 0.40 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 1a5e s ALA 40 Cb 0.38 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.57 1a5e s ALA 40 CO -0.09 0.31 1.22 -1.25 0.00 0.00 0.00 175.76 175.95 1a5e s PRO 41 N -2.25 4.48 0.00 0.00 0.04 -1.26 -4.78 135.00 131.23 1a5e s PRO 41 Ca 0.47 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1a5e s PRO 41 Cb -0.15 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1a5e s PRO 41 CO 0.20 -0.07 0.00 0.09 0.04 0.00 0.00 177.00 177.26 1a5e n ASN 42 N 1.93 0.07 -0.39 6.66 3.02 -1.26 -4.75 115.26 120.54 1a5e n ASN 42 Ca 0.03 -0.18 0.05 0.00 -0.03 0.00 0.00 54.58 54.45 1a5e n ASN 42 Cb 0.44 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.73 1a5e n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1a5e n SER 43 N -0.53 2.71 -1.05 6.41 7.64 -1.26 -4.61 113.62 122.93 1a5e n SER 43 Ca 0.00 -2.35 -0.01 0.00 1.01 0.00 0.00 58.87 57.52 1a5e n SER 43 Cb 0.00 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 62.94 1a5e n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5e n TYR 44 N -0.30 0.00 -2.97 1.43 0.18 -1.26 -4.98 117.16 109.25 1a5e n TYR 44 Ca 0.10 -0.36 -0.21 0.00 1.88 0.00 0.00 57.90 59.32 1a5e n TYR 44 Cb 0.49 0.13 0.01 0.00 -0.38 0.00 0.00 39.34 39.58 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1a5e n GLY 45 N 0.19 -0.50 3.07 -7.48 0.00 -1.26 -4.92 105.19 94.29 1a5e n GLY 45 Ca -0.07 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1a5e n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5e s ARG 46 N -5.63 2.02 1.13 1.61 6.06 -1.26 -4.87 118.95 118.01 1a5e s ARG 46 Ca 0.25 -2.10 -0.18 0.00 -2.50 0.00 0.00 55.73 51.20 1a5e s ARG 46 Cb -0.12 -3.51 0.14 0.00 0.06 0.00 0.00 34.95 31.52 1a5e s ARG 46 CO 0.31 -1.07 0.11 0.54 -2.50 0.00 0.00 175.30 172.69 1a5e n ARG 47 N 4.07 -1.94 -0.93 5.12 5.12 -1.26 -4.71 116.66 122.13 1a5e n ARG 47 Ca 0.02 -0.55 -0.29 0.00 -1.93 0.00 0.00 57.85 55.10 1a5e n ARG 47 Cb 0.39 -1.68 0.19 0.00 -1.16 0.00 0.00 32.46 30.20 1a5e n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a5e s PRO 48 N -3.54 0.35 0.00 5.56 0.04 -1.26 -3.21 135.00 132.93 1a5e s PRO 48 Ca 0.53 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1a5e s PRO 48 Cb -0.11 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1a5e s PRO 48 CO 0.60 -2.87 0.00 -0.89 0.04 0.00 0.00 177.00 173.88 1a5e n ILE 49 N -4.32 0.00 -0.26 0.56 5.41 -1.26 -4.16 119.36 115.33 1a5e n ILE 49 Ca 0.06 0.00 0.33 0.00 1.00 0.00 0.00 62.75 64.14 1a5e n ILE 49 Cb 0.55 0.00 0.67 0.00 -0.71 0.00 0.00 39.64 40.15 1a5e n ILE 49 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1a5e h GLN 50 N 0.00 0.00 -1.08 0.38 4.15 -1.87 0.48 115.11 117.17 1a5e h GLN 50 Ca 0.00 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.84 1a5e h GLN 50 Cb 0.00 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 27.28 1a5e h GLN 50 CO 0.00 0.00 -0.56 1.55 -1.93 0.00 0.00 178.83 177.89 1a5e n VAL 51 N -3.76 2.62 -1.37 2.39 3.14 -1.20 -4.73 118.33 115.44 1a5e n VAL 51 Ca 0.24 -4.35 -0.23 0.00 -2.96 0.00 0.00 64.34 57.04 1a5e n VAL 51 Cb 1.32 -1.19 0.14 0.00 -1.06 0.00 0.00 33.84 33.05 1a5e n VAL 51 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1a5e n MET 52 N -0.65 2.39 -0.26 1.45 0.00 0.17 0.95 117.12 121.18 1a5e n MET 52 Ca 0.44 -3.22 0.00 0.00 0.00 0.00 0.00 57.70 54.93 1a5e n MET 52 Cb 0.81 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.88 1a5e n MET 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1a5e n MET 53 N -1.05 0.00 -1.91 3.17 1.56 -1.24 -3.92 117.12 113.74 1a5e n MET 53 Ca 0.54 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.93 1a5e n MET 53 Cb 1.20 -2.92 -0.01 0.00 2.15 0.00 0.00 33.22 33.65 1a5e n MET 53 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1a5e n MET 54 N -2.00 -2.04 -0.33 2.12 2.81 -1.26 -4.64 117.12 111.78 1a5e n MET 54 Ca 0.00 0.22 0.03 0.00 -1.81 0.00 0.00 57.70 56.14 1a5e n MET 54 Cb 0.00 -4.56 0.04 0.00 -0.71 0.00 0.00 33.22 27.99 1a5e n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5e n GLY 55 N -0.38 1.73 2.66 3.03 0.00 -1.25 -4.69 105.19 106.29 1a5e n GLY 55 Ca -0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 1a5e n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5e n SER 56 N -0.46 -2.62 -0.27 1.61 7.64 -1.26 -4.98 113.62 113.29 1a5e n SER 56 Ca 0.05 -2.98 0.33 0.00 1.01 0.00 0.00 58.87 57.28 1a5e n SER 56 Cb 0.66 1.32 0.66 0.00 -1.01 0.00 0.00 64.21 65.84 1a5e n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5e h ALA 57 N 4.62 3.00 -0.66 -0.43 0.00 -1.91 0.15 119.26 124.04 1a5e h ALA 57 Ca 0.01 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1a5e h ALA 57 Cb 1.04 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 1a5e h ALA 57 CO 0.20 -1.57 -0.15 -0.09 0.00 0.00 0.00 179.25 177.64 1a5e h ARG 58 N 0.00 0.01 0.39 0.00 2.43 -1.94 0.88 114.38 116.15 1a5e h ARG 58 Ca 0.53 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.69 1a5e h ARG 58 Cb 2.52 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 32.06 1a5e h ARG 58 CO -0.01 0.00 -0.29 0.28 -1.51 0.00 0.00 179.97 178.45 1a5e h VAL 59 N 0.01 0.00 -0.72 0.20 2.07 -1.06 -2.59 116.25 114.15 1a5e h VAL 59 Ca 0.32 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.97 1a5e h VAL 59 Cb 0.49 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.12 1a5e h VAL 59 CO -0.67 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 176.65 1a5e h ALA 60 N -1.39 0.24 -0.88 1.67 0.00 -1.52 0.13 119.26 117.52 1a5e h ALA 60 Ca -0.05 0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.25 1a5e h ALA 60 Cb 0.54 0.72 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 1a5e h ALA 60 CO 0.02 -0.54 -0.35 1.49 0.00 0.00 0.00 179.25 179.87 1a5e h GLU 61 N -0.07 -0.04 0.32 0.00 4.22 -0.61 1.96 114.58 120.37 1a5e h GLU 61 Ca 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.74 1a5e h GLU 61 Cb 0.56 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1a5e h GLU 61 CO -0.77 -0.03 -0.17 1.25 -2.18 0.00 0.00 179.01 177.11 1a5e h LEU 62 N -0.04 -0.42 0.07 1.64 5.85 -0.39 -1.79 115.31 120.22 1a5e h LEU 62 Ca 0.34 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1a5e h LEU 62 Cb 0.60 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1a5e h LEU 62 CO -0.91 -0.29 -0.03 -0.07 -0.34 0.00 0.00 178.44 176.81 1a5e h LEU 63 N -0.46 -0.08 -0.13 2.25 3.38 0.03 -2.22 115.31 118.09 1a5e h LEU 63 Ca -0.04 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1a5e h LEU 63 Cb 0.37 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1a5e h LEU 63 CO 0.06 0.20 -0.52 0.25 0.09 0.00 0.00 178.44 178.51 1a5e h LEU 64 N -0.36 -1.65 -2.43 1.67 6.46 0.30 0.82 115.31 120.12 1a5e h LEU 64 Ca -0.01 0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1a5e h LEU 64 Cb 0.31 0.65 -0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1a5e h LEU 64 CO 0.02 -0.48 0.13 0.17 -0.62 0.00 0.00 178.44 177.66 1a5e h LEU 65 N -0.57 0.00 -0.45 2.25 8.10 -1.37 0.72 115.31 124.00 1a5e h LEU 65 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.03 1a5e h LEU 65 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 1a5e h LEU 65 CO -0.43 0.00 -0.11 1.41 -4.11 0.00 0.00 178.44 175.21 1a5e n HIS 66 N -3.50 0.00 -1.62 0.17 8.25 0.25 -4.92 115.22 113.84 1a5e n HIS 66 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1a5e n HIS 66 Cb 0.22 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1a5e n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a5e n GLY 67 N 1.24 0.61 0.00 -1.41 0.00 0.25 -4.71 105.19 101.18 1a5e n GLY 67 Ca 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1a5e n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e n ALA 68 N -1.10 0.00 -3.15 4.61 0.00 -0.29 -4.52 120.51 116.05 1a5e n ALA 68 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1a5e n ALA 68 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 1a5e n ALA 68 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a5e n GLU 69 N 0.00 2.87 0.05 0.00 4.07 -1.26 -4.83 120.64 121.54 1a5e n GLU 69 Ca 0.00 -4.73 -0.11 0.00 -0.06 0.00 0.00 57.16 52.26 1a5e n GLU 69 Cb 0.00 -2.22 0.01 0.00 -0.06 0.00 0.00 31.44 29.17 1a5e n GLU 69 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1a5e h PRO 70 N 3.50 0.41 0.00 5.31 0.13 -1.87 -3.39 132.00 136.08 1a5e h PRO 70 Ca 0.16 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1a5e h PRO 70 Cb 0.58 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1a5e h PRO 70 CO 0.82 1.00 -0.02 -0.91 -0.23 0.00 0.00 178.00 178.66 1a5e h ASN 71 N 0.27 0.00 -2.54 1.44 2.35 -1.88 -3.38 115.58 111.84 1a5e h ASN 71 Ca -0.04 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.11 1a5e h ASN 71 Cb 1.37 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.87 1a5e h ASN 71 CO 0.13 0.04 -0.14 0.00 -1.65 0.00 0.00 177.43 175.81 1a5e n ALA 73 N -0.57 0.00 -2.79 0.00 0.00 -1.26 -4.58 120.51 111.31 1a5e n ALA 73 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 1a5e n ALA 73 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1a5e n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a5e s ASP 74 N 1.00 5.65 0.50 0.00 2.15 -1.23 -4.92 116.67 119.81 1a5e s ASP 74 Ca 0.00 0.04 0.29 0.00 0.43 0.00 0.00 52.55 53.31 1a5e s ASP 74 Cb 0.00 -1.56 1.08 0.00 -0.30 0.00 0.00 42.92 42.14 1a5e s ASP 74 CO 0.00 0.18 1.88 1.55 -0.17 0.00 0.00 175.17 178.61 1a5e h PRO 75 N 3.36 0.00 0.00 4.34 0.13 -1.96 -0.10 132.00 137.77 1a5e h PRO 75 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1a5e h PRO 75 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1a5e h PRO 75 CO 0.67 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.52 1a5e n ALA 76 N -2.14 -0.09 -2.58 -0.56 0.00 -1.26 -4.14 120.51 109.74 1a5e n ALA 76 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1a5e n ALA 76 Cb 0.38 0.21 0.04 0.00 0.00 0.00 0.00 19.45 20.08 1a5e n ALA 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a5e n THR 77 N -1.59 1.66 -4.40 0.00 -2.24 -1.25 -4.97 114.28 101.48 1a5e n THR 77 Ca 0.00 -3.37 -0.38 0.00 -2.27 0.00 0.00 64.05 58.02 1a5e n THR 77 Cb 0.00 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 1a5e n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1a5e n LEU 78 N -0.59 -1.11 -4.57 3.22 4.77 -0.05 -1.41 117.00 117.26 1a5e n LEU 78 Ca 0.19 -1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 54.56 1a5e n LEU 78 Cb 0.85 -1.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 1a5e n LEU 78 CO 0.19 0.24 1.18 -0.89 -1.33 0.00 0.00 177.39 176.77 1a5e s THR 79 N -3.55 3.83 0.57 -5.08 2.01 -1.25 -3.98 115.64 108.21 1a5e s THR 79 Ca 0.59 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 63.08 1a5e s THR 79 Cb -0.34 -4.69 -0.05 0.00 0.01 0.00 0.00 72.50 67.43 1a5e s THR 79 CO 1.00 -1.46 1.03 -0.60 -0.69 0.00 0.00 174.62 173.89 1a5e s ARG 80 N 5.45 3.51 0.35 4.92 3.52 -1.26 -3.56 118.95 131.88 1a5e s ARG 80 Ca 0.43 1.09 0.26 0.00 -0.13 0.00 0.00 55.73 57.38 1a5e s ARG 80 Cb -0.09 -2.07 1.24 0.00 -1.56 0.00 0.00 34.95 32.48 1a5e s ARG 80 CO 0.21 -0.64 1.77 -1.00 -0.81 0.00 0.00 175.30 174.84 1a5e h PRO 81 N 0.50 0.00 -0.31 5.12 0.13 -1.81 -1.91 132.00 133.72 1a5e h PRO 81 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1a5e h PRO 81 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1a5e h PRO 81 CO 0.59 0.00 0.15 0.28 -0.23 0.00 0.00 178.00 178.79 1a5e h VAL 82 N 0.00 1.11 -0.14 1.56 2.07 -1.89 -1.24 116.25 117.72 1a5e h VAL 82 Ca 0.00 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 1a5e h VAL 82 Cb 0.18 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1a5e h VAL 82 CO 0.00 0.13 -0.59 0.45 0.02 0.00 0.00 177.57 177.58 1a5e h HIS 83 N 0.43 0.60 -0.49 1.57 3.86 -1.67 -3.12 115.15 116.32 1a5e h HIS 83 Ca 0.11 -0.22 0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1a5e h HIS 83 Cb 0.05 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.35 1a5e h HIS 83 CO 0.00 0.94 0.15 -0.44 0.86 0.00 0.00 177.93 179.45 1a5e h ASP 84 N 0.35 0.13 0.64 2.45 3.32 -1.33 1.80 116.42 123.78 1a5e h ASP 84 Ca -0.00 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1a5e h ASP 84 Cb 1.13 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1a5e h ASP 84 CO 0.11 0.10 -0.41 0.00 -1.72 0.00 0.00 179.24 177.32 1a5e h ALA 85 N 1.34 -1.03 0.00 3.45 0.00 -1.47 -1.05 119.26 120.50 1a5e h ALA 85 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a5e h ALA 85 Cb 0.27 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1a5e h ALA 85 CO -0.26 -1.10 0.00 0.00 0.00 0.00 0.00 179.25 177.89 1a5e h ALA 86 N -0.75 1.00 0.00 0.00 0.00 -1.41 0.18 119.26 118.29 1a5e h ALA 86 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1a5e h ALA 86 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1a5e h ALA 86 CO 0.07 0.00 -0.35 -0.09 0.00 0.00 0.00 179.25 178.88 1a5e h ARG 87 N 0.00 0.00 0.00 0.00 9.65 0.35 -3.30 114.38 121.08 1a5e h ARG 87 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1a5e h ARG 87 Cb 0.38 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1a5e h ARG 87 CO 0.00 0.26 -0.68 -1.91 2.80 0.00 0.00 179.97 180.44 1a5e n GLU 88 N -3.14 3.12 -1.43 0.20 0.00 -0.47 -5.01 120.64 113.92 1a5e n GLU 88 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1a5e n GLU 88 Cb 0.65 -0.98 0.00 0.00 0.00 0.00 0.00 31.44 31.11 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a5e n GLY 89 N 1.44 0.80 2.53 8.31 0.00 0.58 -5.02 105.19 113.83 1a5e n GLY 89 Ca 0.01 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1a5e n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a5e s PHE 90 N -2.95 1.35 0.24 1.61 2.19 -0.79 -4.98 117.98 114.65 1a5e s PHE 90 Ca 0.00 -2.17 -0.07 0.00 0.33 0.00 0.00 56.93 55.02 1a5e s PHE 90 Cb 0.00 -1.28 0.23 0.00 -1.31 0.00 0.00 43.02 40.66 1a5e s PHE 90 CO 0.00 -0.80 1.90 1.25 1.83 0.00 0.00 175.22 179.41 1a5e h LEU 91 N 6.39 1.09 -1.29 6.12 7.12 -1.96 -2.25 115.31 130.54 1a5e h LEU 91 Ca 0.12 -0.04 0.33 0.00 0.13 0.00 0.00 57.88 58.42 1a5e h LEU 91 Cb 0.92 -0.27 -0.12 0.00 -0.53 0.00 0.00 40.66 40.66 1a5e h LEU 91 CO 0.38 0.81 0.71 0.44 -0.13 0.00 0.00 178.44 180.65 1a5e h ASP 92 N 1.28 0.40 -0.10 1.25 3.32 -1.99 0.74 116.42 121.32 1a5e h ASP 92 Ca 0.34 0.13 -0.17 0.00 0.02 0.00 0.00 57.03 57.35 1a5e h ASP 92 Cb -0.11 0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.53 1a5e h ASP 92 CO -0.07 -0.05 -0.59 0.74 -1.72 0.00 0.00 179.24 177.55 1a5e h THR 93 N 0.28 1.35 -0.79 0.35 2.02 -1.74 -2.97 112.91 111.42 1a5e h THR 93 Ca 0.70 -1.90 0.05 0.00 0.77 0.00 0.00 66.41 66.03 1a5e h THR 93 Cb 1.90 2.21 -0.05 0.00 -1.74 0.00 0.00 68.15 70.47 1a5e h THR 93 CO -0.41 0.58 0.52 -0.07 0.37 0.00 0.00 175.52 176.50 1a5e h LEU 94 N 0.19 0.79 -0.44 2.58 4.07 0.44 -1.22 115.31 121.72 1a5e h LEU 94 Ca -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1a5e h LEU 94 Cb 1.24 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1a5e h LEU 94 CO 0.12 0.53 0.28 0.58 -1.08 0.00 0.00 178.44 178.87 1a5e h VAL 95 N 0.91 1.13 0.03 1.22 2.07 -0.53 -2.36 116.25 118.72 1a5e h VAL 95 Ca 0.32 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1a5e h VAL 95 Cb 0.13 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1a5e h VAL 95 CO -0.10 0.13 -0.02 0.58 0.02 0.00 0.00 177.57 178.18 1a5e h VAL 96 N 0.59 0.98 -0.82 2.57 2.07 -1.11 1.39 116.25 121.92 1a5e h VAL 96 Ca 0.16 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 67.84 1a5e h VAL 96 Cb -0.03 1.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.62 1a5e h VAL 96 CO -0.03 0.01 0.27 -0.07 0.02 0.00 0.00 177.57 177.77 1a5e h LEU 97 N -0.06 0.14 0.14 2.57 3.38 -0.99 -1.33 115.31 119.15 1a5e h LEU 97 Ca -0.00 0.16 -0.32 0.00 0.09 0.00 0.00 57.88 57.80 1a5e h LEU 97 Cb 0.05 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1a5e h LEU 97 CO 0.01 -0.03 -1.61 -0.74 0.09 0.00 0.00 178.44 176.15 1a5e h HIS 98 N 0.32 0.52 0.00 1.13 2.76 -0.98 -0.89 115.15 118.02 1a5e h HIS 98 Ca 0.49 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1a5e h HIS 98 Cb 0.90 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.84 1a5e h HIS 98 CO -0.21 1.47 0.02 -0.09 -1.30 0.00 0.00 177.93 177.81 1a5e h ARG 99 N 0.08 0.00 0.00 5.26 2.43 0.29 -3.39 114.38 119.05 1a5e h ARG 99 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1a5e h ARG 99 Cb 2.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1a5e h ARG 99 CO 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.62 1a5e n ALA 100 N -1.78 1.84 -3.15 2.80 0.00 -0.60 -5.03 120.51 114.58 1a5e n ALA 100 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1a5e n ALA 100 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 1a5e n ALA 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a5e s GLY 101 N -1.84 -0.94 -0.29 0.00 0.00 -1.00 -5.08 107.32 98.18 1a5e s GLY 101 Ca 0.00 1.85 -0.10 0.00 0.00 0.00 0.00 44.72 46.46 1a5e s GLY 101 CO 0.00 3.63 0.63 0.00 0.00 0.00 0.00 173.10 177.36 1a5e s ALA 102 N 2.88 -1.93 -0.62 3.20 0.00 -0.37 -4.59 121.76 120.33 1a5e s ALA 102 Ca 0.14 2.26 -0.27 0.00 0.00 0.00 0.00 51.96 54.09 1a5e s ALA 102 Cb -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1a5e s ALA 102 CO -0.21 -0.86 1.55 0.50 0.00 0.00 0.00 175.76 176.74 1a5e s ARG 103 N 2.76 3.03 -0.96 0.00 3.52 -1.26 -4.69 118.95 121.34 1a5e s ARG 103 Ca -0.06 0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.88 1a5e s ARG 103 Cb -0.11 -4.24 0.29 0.00 -1.56 0.00 0.00 34.95 29.33 1a5e s ARG 103 CO -0.18 -2.27 2.02 1.28 -0.81 0.00 0.00 175.30 175.33 1a5e n LEU 104 N 10.67 7.43 -2.70 -0.88 4.32 -1.26 -4.53 117.00 130.05 1a5e n LEU 104 Ca 0.13 -5.07 -0.07 0.00 -0.02 0.00 0.00 56.01 50.99 1a5e n LEU 104 Cb 0.50 -1.16 0.10 0.00 -1.62 0.00 0.00 43.42 41.24 1a5e n LEU 104 CO 0.71 1.94 0.52 -0.90 -1.22 0.00 0.00 177.39 178.43 1a5e n ASP 105 N 0.04 -1.83 -1.91 -1.43 5.68 -1.26 -3.90 116.55 111.94 1a5e n ASP 105 Ca 0.51 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1a5e n ASP 105 Cb 0.27 1.08 0.00 0.00 -1.14 0.00 0.00 41.12 41.33 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1a5e n VAL 106 N -0.51 0.00 -4.72 2.12 3.14 -1.26 -5.06 118.33 112.03 1a5e n VAL 106 Ca -0.06 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.09 1a5e n VAL 106 Cb 0.81 -0.42 -0.15 0.00 -1.06 0.00 0.00 33.84 33.02 1a5e n VAL 106 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1a5e s ARG 107 N -1.83 1.37 -0.94 1.45 0.52 -1.26 -4.32 118.95 113.94 1a5e s ARG 107 Ca 0.00 -0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 54.60 1a5e s ARG 107 Cb 0.00 -1.27 -0.10 0.00 0.52 0.00 0.00 34.95 34.09 1a5e s ARG 107 CO 0.00 0.29 2.61 -0.25 0.02 0.00 0.00 175.30 177.96 1a5e n ASP 108 N 2.89 6.07 0.00 0.23 9.92 -1.07 -4.61 116.55 129.99 1a5e n ASP 108 Ca -0.16 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.71 1a5e n ASP 108 Cb 0.54 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a5e n ALA 109 N 3.59 0.00 -0.17 2.24 0.00 -0.50 -3.89 120.51 121.78 1a5e n ALA 109 Ca 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.95 1a5e n ALA 109 Cb 0.31 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.79 1a5e n ALA 109 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1a5e h TRP 110 N 0.00 -0.35 0.00 0.00 -0.00 -1.87 -3.45 115.95 110.27 1a5e h TRP 110 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1a5e h TRP 110 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 29.16 29.40 1a5e h TRP 110 CO 0.00 -0.25 0.00 0.41 -0.00 0.00 0.00 178.44 178.60 1a5e n GLY 111 N -1.39 0.44 3.22 1.49 0.00 -1.25 -5.15 105.19 102.56 1a5e n GLY 111 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1a5e n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 112 N 0.00 -1.12 -4.35 1.61 1.74 -1.26 -4.64 116.66 108.64 1a5e n ARG 112 Ca 0.00 -0.31 -0.18 0.00 -0.77 0.00 0.00 57.85 56.59 1a5e n ARG 112 Cb 0.00 -1.55 -0.10 0.00 -1.02 0.00 0.00 32.46 29.79 1a5e n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a5e s LEU 113 N 0.92 2.02 0.11 0.55 1.43 -1.26 -2.58 118.68 119.87 1a5e s LEU 113 Ca 0.51 -1.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.18 1a5e s LEU 113 Cb -0.08 -0.19 -0.07 0.00 0.03 0.00 0.00 46.19 45.87 1a5e s LEU 113 CO 0.67 -0.60 1.44 1.55 0.23 0.00 0.00 176.35 179.64 1a5e h PRO 114 N 2.38 0.75 0.00 1.29 0.13 -1.93 -2.92 132.00 131.70 1a5e h PRO 114 Ca -0.39 -0.38 -0.07 0.00 -0.87 0.00 0.00 66.00 64.29 1a5e h PRO 114 Cb 1.23 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1a5e h PRO 114 CO 0.64 1.01 -0.32 -0.24 -0.23 0.00 0.00 178.00 178.86 1a5e h VAL 115 N 0.51 0.81 0.51 1.56 3.04 -1.90 -3.24 116.25 117.54 1a5e h VAL 115 Ca 0.05 -1.35 -0.03 0.00 -1.01 0.00 0.00 66.70 64.37 1a5e h VAL 115 Cb 0.86 1.84 0.01 0.00 -2.01 0.00 0.00 31.29 31.98 1a5e h VAL 115 CO 0.07 0.32 -0.25 -0.78 -1.01 0.00 0.00 177.57 175.92 1a5e h ASP 116 N 0.00 -0.59 -0.44 3.17 1.82 -1.88 -2.66 116.42 115.85 1a5e h ASP 116 Ca -0.00 -0.05 0.05 0.00 -0.39 0.00 0.00 57.03 56.64 1a5e h ASP 116 Cb 0.81 0.15 -0.08 0.00 0.68 0.00 0.00 39.33 40.89 1a5e h ASP 116 CO 0.04 -0.19 -0.56 0.25 -1.61 0.00 0.00 179.24 177.17 1a5e h LEU 117 N -1.08 -1.88 -0.52 2.28 6.46 -1.57 0.70 115.31 119.69 1a5e h LEU 117 Ca -0.07 0.25 0.10 0.00 -0.12 0.00 0.00 57.88 58.04 1a5e h LEU 117 Cb 0.60 0.77 -0.11 0.00 -0.73 0.00 0.00 40.66 41.20 1a5e h LEU 117 CO 0.12 -0.40 -0.28 0.00 -0.62 0.00 0.00 178.44 177.26 1a5e h ALA 118 N -0.02 0.03 -0.42 1.25 0.00 -1.63 0.77 119.26 119.23 1a5e h ALA 118 Ca 0.08 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1a5e h ALA 118 Cb 0.59 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1a5e h ALA 118 CO -0.61 -0.63 0.29 1.49 0.00 0.00 0.00 179.25 179.80 1a5e h GLU 119 N -0.15 0.14 0.00 0.00 4.22 -0.85 0.31 114.58 118.25 1a5e h GLU 119 Ca 0.23 -0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.53 1a5e h GLU 119 Cb 0.52 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1a5e h GLU 119 CO -0.61 0.09 -0.63 1.49 -2.18 0.00 0.00 179.01 177.16 1a5e h GLU 120 N 0.14 0.00 -0.02 1.92 4.57 0.26 -3.15 114.58 118.31 1a5e h GLU 120 Ca 0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1a5e h GLU 120 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1a5e h GLU 120 CO -0.03 0.63 -0.05 1.28 -1.18 0.00 0.00 179.01 179.67 1a5e n LEU 121 N -3.34 1.81 0.00 1.64 4.77 0.85 -4.91 117.00 117.81 1a5e n LEU 121 Ca 0.01 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1a5e n LEU 121 Cb 0.75 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1a5e n LEU 121 CO 0.42 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1a5e n GLY 122 N 1.24 0.72 2.67 -0.72 0.00 -0.13 -4.96 105.19 104.00 1a5e n GLY 122 Ca 0.17 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1a5e n GLY 122 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5e n HIS 123 N -2.79 2.30 -0.48 1.61 -0.00 0.84 -4.71 115.22 111.99 1a5e n HIS 123 Ca 0.00 -2.16 0.39 0.00 -0.00 0.00 0.00 57.72 55.96 1a5e n HIS 123 Cb 0.13 -1.28 0.69 0.00 -0.00 0.00 0.00 29.99 29.53 1a5e n HIS 123 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a5e h ARG 124 N 2.92 0.08 -0.24 -0.41 2.47 -1.90 2.12 114.38 119.42 1a5e h ARG 124 Ca 0.48 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.16 1a5e h ARG 124 Cb 0.40 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1a5e h ARG 124 CO 1.16 0.05 0.03 -0.44 0.56 0.00 0.00 179.97 181.33 1a5e h ASP 125 N 0.08 0.39 0.55 7.04 3.32 -1.96 0.30 116.42 126.14 1a5e h ASP 125 Ca 0.79 -0.28 -0.29 0.00 0.02 0.00 0.00 57.03 57.28 1a5e h ASP 125 Cb 2.72 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 42.16 1a5e h ASP 125 CO -0.25 0.57 -1.41 0.58 -1.72 0.00 0.00 179.24 177.01 1a5e h VAL 126 N 0.19 1.30 0.10 -1.35 2.07 0.10 -1.82 116.25 116.85 1a5e h VAL 126 Ca 0.07 -2.93 -0.01 0.00 0.82 0.00 0.00 66.70 64.66 1a5e h VAL 126 Cb 0.35 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1a5e h VAL 126 CO 0.01 0.84 -0.05 0.00 0.02 0.00 0.00 177.57 178.39 1a5e h ALA 127 N 0.58 -0.14 0.20 1.67 0.00 0.28 0.15 119.26 122.00 1a5e h ALA 127 Ca -0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1a5e h ALA 127 Cb 1.98 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1a5e h ALA 127 CO 0.17 -0.45 -0.09 -0.09 0.00 0.00 0.00 179.25 178.79 1a5e h ARG 128 N -0.39 -0.25 -1.00 0.00 1.12 -0.53 -0.81 114.38 112.52 1a5e h ARG 128 Ca -0.01 0.02 0.20 0.00 -1.11 0.00 0.00 59.98 59.07 1a5e h ARG 128 Cb 0.33 0.06 -0.11 0.00 -0.01 0.00 0.00 29.97 30.23 1a5e h ARG 128 CO 0.02 0.01 0.60 -0.92 -3.11 0.00 0.00 179.97 176.57 1a5e h TYR 129 N -0.50 1.06 0.26 2.20 5.03 -1.34 -1.05 116.97 122.64 1a5e h TYR 129 Ca -0.03 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1a5e h TYR 129 Cb 0.38 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.34 1a5e h TYR 129 CO 0.00 0.21 -0.12 -0.07 -1.32 0.00 0.00 178.16 176.85 1a5e h LEU 130 N 0.73 -0.29 -1.54 2.82 3.38 -0.65 -2.24 115.31 117.52 1a5e h LEU 130 Ca 0.59 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.43 1a5e h LEU 130 Cb 0.95 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1a5e h LEU 130 CO -0.40 0.02 0.54 -0.09 0.09 0.00 0.00 178.44 178.60 1a5e h ARG 131 N -0.63 0.00 0.00 1.13 2.43 0.15 1.84 114.38 119.30 1a5e h ARG 131 Ca -0.04 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1a5e h ARG 131 Cb 0.45 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1a5e h ARG 131 CO 0.06 0.00 -0.76 0.00 -1.51 0.00 0.00 179.97 177.75 1a5e h ALA 132 N 1.05 0.12 0.00 2.80 0.00 -1.00 -2.94 119.26 119.29 1a5e h ALA 132 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1a5e h ALA 132 Cb 1.14 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1a5e h ALA 132 CO -0.00 0.51 -0.26 0.00 0.00 0.00 0.00 179.25 179.50 1a5e n ALA 133 N -3.37 2.85 -0.04 0.00 0.00 -0.81 -3.67 120.51 115.48 1a5e n ALA 133 Ca -0.18 -0.20 0.02 0.00 0.00 0.00 0.00 53.44 53.08 1a5e n ALA 133 Cb 0.45 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 1a5e n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 134 N -1.56 2.25 -1.77 0.00 0.00 0.62 -4.73 120.51 115.32 1a5e n ALA 134 Ca 0.06 -0.82 -0.39 0.00 0.00 0.00 0.00 53.44 52.29 1a5e n ALA 134 Cb 0.36 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 1a5e n ALA 134 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a5e s GLY 135 N -4.90 2.88 0.00 0.00 0.00 -1.11 -4.64 107.32 99.55 1a5e s GLY 135 Ca -0.08 1.11 0.27 0.00 0.00 0.00 0.00 44.72 46.01 1a5e s GLY 135 CO 0.87 1.65 1.64 0.61 0.00 0.00 0.00 173.10 177.86 1a5e n GLY 136 N 0.63 -1.11 2.78 0.20 0.00 -1.26 -4.24 105.19 102.20 1a5e n GLY 136 Ca 0.05 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1a5e n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5e n THR 137 N -1.22 3.94 -2.08 2.61 -2.24 -1.26 -5.02 114.28 109.01 1a5e n THR 137 Ca 0.09 -5.66 -0.41 0.00 -2.27 0.00 0.00 64.05 55.80 1a5e n THR 137 Cb 0.32 -1.61 -0.03 0.00 -2.10 0.00 0.00 70.33 66.92 1a5e n THR 137 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1a5e s ARG 138 N -3.48 3.04 0.00 -0.78 3.00 -1.26 -4.30 118.95 115.17 1a5e s ARG 138 Ca 0.43 0.96 0.00 0.00 -1.00 0.00 0.00 55.73 56.12 1a5e s ARG 138 Cb 0.22 -4.26 0.00 0.00 0.00 0.00 0.00 34.95 30.91 1a5e s ARG 138 CO -0.09 -2.22 0.00 0.41 0.00 0.00 0.00 175.30 173.39 1a5e n GLY 139 N 5.50 0.81 3.34 8.12 0.00 -1.26 -4.96 105.19 116.75 1a5e n GLY 139 Ca 0.21 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1a5e n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5e n SER 140 N 0.00 3.15 -2.66 1.61 7.64 -1.26 -4.13 113.62 117.96 1a5e n SER 140 Ca 0.00 -2.73 -0.04 0.00 1.01 0.00 0.00 58.87 57.12 1a5e n SER 140 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 1a5e n SER 140 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1a5e n ASN 141 N 10.54 -1.15 -2.31 6.43 5.15 -1.26 -5.16 115.26 127.49 1a5e n ASN 141 Ca 0.48 -1.67 -0.07 0.00 -0.60 0.00 0.00 54.58 52.71 1a5e n ASN 141 Cb 0.44 1.02 0.01 0.00 -0.53 0.00 0.00 39.78 40.72 1a5e n ASN 141 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1a5e n HIS 142 N -0.38 -1.81 -3.55 1.20 -0.00 -1.26 -5.13 115.22 104.30 1a5e n HIS 142 Ca -0.25 -1.41 -0.41 0.00 0.46 0.00 0.00 57.72 56.11 1a5e n HIS 142 Cb 0.66 0.61 -0.11 0.00 -0.12 0.00 0.00 29.99 31.03 1a5e n HIS 142 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1a5e s ALA 143 N -1.92 3.35 -0.38 1.57 0.00 -1.26 -4.93 121.76 118.19 1a5e s ALA 143 Ca 0.13 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 1a5e s ALA 143 Cb -0.03 -2.69 0.24 0.00 0.00 0.00 0.00 23.12 20.64 1a5e s ALA 143 CO 0.10 -1.40 1.09 -2.13 0.00 0.00 0.00 175.76 173.41 1a5e n ARG 144 N 5.05 0.29 -1.76 0.00 0.00 -1.26 -5.15 116.66 113.83 1a5e n ARG 144 Ca -0.12 -1.05 -0.37 0.00 -0.00 0.00 0.00 57.85 56.32 1a5e n ARG 144 Cb 0.46 -0.50 0.07 0.00 0.00 0.00 0.00 32.46 32.49 1a5e n ARG 144 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1a5e s ILE 145 N 0.52 2.06 0.00 5.15 -5.25 -1.26 -4.99 121.20 117.42 1a5e s ILE 145 Ca 0.27 0.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.96 1a5e s ILE 145 Cb 0.17 -3.01 0.00 0.00 2.95 0.00 0.00 42.46 42.57 1a5e s ILE 145 CO -0.12 -0.01 0.00 -0.67 -1.79 0.00 0.00 174.94 172.35 1a5e n ASP 146 N -1.89 0.00 -2.73 4.36 2.03 -1.26 -5.12 116.55 111.94 1a5e n ASP 146 Ca 0.16 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.43 1a5e n ASP 146 Cb 0.48 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a5e n ALA 147 N 0.00 -2.38 -1.02 -1.67 0.00 -1.26 -5.09 120.51 109.09 1a5e n ALA 147 Ca 0.00 -0.76 0.14 0.00 0.00 0.00 0.00 53.44 52.81 1a5e n ALA 147 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 1a5e n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 148 N 2.70 -3.22 0.00 0.00 0.00 -1.26 -4.74 120.51 113.98 1a5e n ALA 148 Ca 0.15 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1a5e n ALA 148 Cb 0.59 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1a5e n ALA 148 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a5e n GLU 149 N -3.15 3.64 0.00 0.00 2.13 -1.26 -5.11 120.64 116.89 1a5e n GLU 149 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a5e n GLU 149 Cb 0.62 -0.69 0.00 0.00 0.27 0.00 0.00 31.44 31.63 1a5e n GLU 149 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a5e n GLY 150 N 1.57 0.74 3.77 8.31 0.00 -1.26 -5.07 105.19 113.25 1a5e n GLY 150 Ca 0.00 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 1a5e n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5e s PRO 151 N 0.00 4.25 0.17 1.61 0.04 -1.26 -4.99 135.00 134.82 1a5e s PRO 151 Ca 0.00 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 1a5e s PRO 151 Cb 0.00 -2.72 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 1a5e s PRO 151 CO 0.00 -0.09 1.23 -1.12 0.04 0.00 0.00 177.00 177.06 1a5e s SER 152 N -1.32 7.03 -0.64 6.66 0.01 -1.26 -4.90 113.70 119.27 1a5e s SER 152 Ca 0.54 2.24 -0.26 0.00 1.31 0.00 0.00 55.95 59.79 1a5e s SER 152 Cb -0.26 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.30 1a5e s SER 152 CO 0.33 -0.43 2.22 1.51 0.41 0.00 0.00 173.24 177.28 1a5e s ASP 153 N 0.36 4.59 -0.86 2.44 1.47 -1.26 -4.85 116.67 118.56 1a5e s ASP 153 Ca 0.55 0.45 -0.00 0.00 1.18 0.00 0.00 52.55 54.73 1a5e s ASP 153 Cb -0.33 -2.53 0.22 0.00 -0.34 0.00 0.00 42.92 39.94 1a5e s ASP 153 CO 0.35 -2.98 0.75 0.00 0.68 0.00 0.00 175.17 173.98 1a5e n ILE 154 N 7.98 2.81 -2.18 2.11 3.06 -1.26 -5.06 119.36 126.81 1a5e n ILE 154 Ca 0.36 -5.10 -0.34 0.00 -2.50 0.00 0.00 62.75 55.17 1a5e n ILE 154 Cb 0.51 -2.32 0.00 0.00 0.54 0.00 0.00 39.64 38.37 1a5e n ILE 154 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1a5e s PRO 155 N -1.51 3.37 0.00 9.51 0.04 -1.26 -5.31 135.00 139.85 1a5e s PRO 155 Ca 0.28 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1a5e s PRO 155 Cb -0.05 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1a5e s PRO 155 CO -0.12 -0.79 0.46 -3.47 0.04 0.00 0.00 177.00 173.12