#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 1.93 0.26 2.12 2.56 -1.26 -5.10 118.70 119.21 1a5e s GLU 2 Ca 0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 54.97 53.09 1a5e s GLU 2 Cb 0.00 -3.06 -0.09 0.00 2.00 0.00 0.00 34.13 32.97 1a5e s GLU 2 CO 0.00 -0.74 1.20 -1.25 -0.56 0.00 0.00 175.26 173.91 1a5e s PRO 3 N 1.03 4.50 0.00 4.30 0.04 -1.26 -4.99 135.00 138.61 1a5e s PRO 3 Ca 0.00 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1a5e s PRO 3 Cb -0.20 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1a5e s PRO 3 CO -0.06 -0.02 0.00 0.00 0.04 0.00 0.00 177.00 176.96 1a5e n ALA 4 N 1.60 0.00 -2.74 8.56 0.00 -1.26 -5.10 120.51 121.57 1a5e n ALA 4 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 1a5e n ALA 4 Cb 0.44 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.98 1a5e n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5e n ALA 5 N 0.00 0.04 0.00 0.00 0.00 -1.26 -5.14 120.51 114.16 1a5e n ALA 5 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1a5e n ALA 5 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1a5e n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 6 N 0.04 1.98 0.59 0.00 0.00 -1.26 -4.99 105.19 101.55 1a5e n GLY 6 Ca 0.04 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.32 1a5e n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a5e n SER 7 N 0.00 1.94 -4.55 1.61 3.41 -1.26 -4.81 113.62 109.96 1a5e n SER 7 Ca 0.00 -1.56 -0.42 0.00 -0.26 0.00 0.00 58.87 56.62 1a5e n SER 7 Cb 0.00 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1a5e n SER 7 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a5e s SER 8 N -2.12 6.34 -0.83 4.04 1.04 -1.26 -4.93 113.70 115.99 1a5e s SER 8 Ca 0.31 -0.20 -0.22 0.00 0.48 0.00 0.00 55.95 56.32 1a5e s SER 8 Cb 0.20 -2.51 -0.19 0.00 0.10 0.00 0.00 66.02 63.62 1a5e s SER 8 CO 0.37 -1.48 2.36 0.80 0.98 0.00 0.00 173.24 176.27 1a5e n MET 9 N 8.31 0.44 -2.95 4.02 0.00 -1.26 -3.78 117.12 121.89 1a5e n MET 9 Ca 0.05 -0.55 -0.00 0.00 -0.00 0.00 0.00 57.70 57.19 1a5e n MET 9 Cb 0.48 -2.94 -0.00 0.00 0.00 0.00 0.00 33.22 30.76 1a5e n MET 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1a5e n GLU 10 N 7.98 -1.95 -2.26 2.12 4.71 -1.26 -4.71 120.64 125.27 1a5e n GLU 10 Ca 0.52 1.81 -0.33 0.00 -0.01 0.00 0.00 57.16 59.14 1a5e n GLU 10 Cb 0.35 -3.04 -0.04 0.00 -1.01 0.00 0.00 31.44 27.71 1a5e n GLU 10 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1a5e s PRO 11 N -1.17 3.05 0.02 3.49 0.04 -1.25 -4.57 135.00 134.61 1a5e s PRO 11 Ca -0.02 -1.24 -0.00 0.00 0.04 0.00 0.00 61.00 59.78 1a5e s PRO 11 Cb 0.00 -5.31 -0.00 0.00 0.04 0.00 0.00 34.50 29.23 1a5e s PRO 11 CO 0.37 -3.20 -0.00 0.43 0.04 0.00 0.00 177.00 174.65 1a5e n SER 12 N 12.02 0.29 -1.66 6.66 7.64 -1.26 -4.97 113.62 132.33 1a5e n SER 12 Ca 0.44 0.04 -0.12 0.00 1.01 0.00 0.00 58.87 60.23 1a5e n SER 12 Cb 0.47 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.54 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5e n ALA 13 N -2.76 -0.35 0.48 -0.43 0.00 -1.26 -4.76 120.51 111.43 1a5e n ALA 13 Ca -0.00 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1a5e n ALA 13 Cb 0.00 -1.35 0.18 0.00 0.00 0.00 0.00 19.45 18.29 1a5e n ALA 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a5e n ASP 14 N -0.78 3.36 0.30 0.00 5.75 -1.26 -4.36 116.55 119.56 1a5e n ASP 14 Ca -0.13 -1.99 0.17 0.00 -0.01 0.00 0.00 54.79 52.83 1a5e n ASP 14 Cb 0.46 -0.19 0.87 0.00 -1.03 0.00 0.00 41.12 41.23 1a5e n ASP 14 CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 1a5e h TRP 15 N 4.54 0.00 -0.01 2.11 4.06 -1.97 0.13 115.95 124.82 1a5e h TRP 15 Ca 0.00 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.75 1a5e h TRP 15 Cb 0.99 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.17 1a5e h TRP 15 CO 0.19 0.00 -0.78 1.25 -3.56 0.00 0.00 178.44 175.53 1a5e h LEU 16 N 0.00 0.71 0.03 -4.49 5.85 -1.90 -3.09 115.31 112.43 1a5e h LEU 16 Ca 0.03 -0.74 -0.14 0.00 0.84 0.00 0.00 57.88 57.87 1a5e h LEU 16 Cb 0.61 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.44 1a5e h LEU 16 CO -0.00 1.35 -0.56 0.00 -0.34 0.00 0.00 178.44 178.89 1a5e h ALA 17 N 0.37 0.03 -0.41 1.25 0.00 -1.11 -3.05 119.26 116.34 1a5e h ALA 17 Ca -0.09 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 54.31 1a5e h ALA 17 Cb 1.46 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.20 1a5e h ALA 17 CO 0.15 0.30 -0.41 1.79 0.00 0.00 0.00 179.25 181.08 1a5e h THR 18 N -0.27 0.13 -0.55 0.00 1.35 -1.01 -0.07 112.91 112.50 1a5e h THR 18 Ca -0.08 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.80 1a5e h THR 18 Cb 1.32 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.84 1a5e h THR 18 CO 0.11 0.00 0.34 0.00 -0.25 0.00 0.00 175.52 175.72 1a5e h ALA 19 N 0.50 0.70 -0.03 6.62 0.00 -1.65 -2.23 119.26 123.17 1a5e h ALA 19 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1a5e h ALA 19 Cb 0.58 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1a5e h ALA 19 CO -0.57 0.07 -0.24 0.00 0.00 0.00 0.00 179.25 178.50 1a5e h ALA 20 N 1.23 -0.30 -0.14 0.00 0.00 -1.05 -0.32 119.26 118.68 1a5e h ALA 20 Ca 0.22 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1a5e h ALA 20 Cb -0.00 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1a5e h ALA 20 CO -0.08 -0.74 0.11 0.00 0.00 0.00 0.00 179.25 178.54 1a5e h ALA 21 N 0.50 2.07 -0.37 0.00 0.00 0.11 -0.14 119.26 121.43 1a5e h ALA 21 Ca 0.07 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1a5e h ALA 21 Cb 0.46 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1a5e h ALA 21 CO -0.24 -0.18 0.13 -2.13 0.00 0.00 0.00 179.25 176.83 1a5e n ARG 22 N -4.39 2.43 -3.99 0.00 0.63 -0.28 -4.10 116.66 106.96 1a5e n ARG 22 Ca 0.00 -1.53 -0.29 0.00 -0.92 0.00 0.00 57.85 55.11 1a5e n ARG 22 Cb 0.23 -1.77 -0.00 0.00 0.45 0.00 0.00 32.46 31.37 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a5e n GLY 23 N 0.07 -0.36 3.16 5.14 0.00 -0.07 -4.91 105.19 108.22 1a5e n GLY 23 Ca 0.20 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.61 2.67 -0.02 1.61 0.52 -0.35 -4.92 118.95 111.85 1a5e s ARG 24 Ca 0.39 -2.27 -0.23 0.00 -0.52 0.00 0.00 55.73 53.10 1a5e s ARG 24 Cb -0.20 -3.88 -0.22 0.00 0.52 0.00 0.00 34.95 31.16 1a5e s ARG 24 CO 0.88 -1.19 1.09 0.28 0.02 0.00 0.00 175.30 176.37 1a5e h VAL 25 N 5.49 1.49 -0.32 3.52 2.07 -1.91 -2.62 116.25 123.97 1a5e h VAL 25 Ca -0.05 -1.91 0.01 0.00 0.82 0.00 0.00 66.70 65.57 1a5e h VAL 25 Cb 1.00 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 33.37 1a5e h VAL 25 CO 0.75 0.54 0.21 -0.08 0.02 0.00 0.00 177.57 179.01 1a5e h GLU 26 N -0.33 0.38 -0.04 1.57 4.81 -1.98 0.93 114.58 119.92 1a5e h GLU 26 Ca -0.04 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1a5e h GLU 26 Cb 1.06 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1a5e h GLU 26 CO 0.07 0.25 -0.30 1.49 -0.73 0.00 0.00 179.01 179.79 1a5e h GLU 27 N 0.39 0.28 -0.22 1.92 4.57 -1.96 -2.75 114.58 116.81 1a5e h GLU 27 Ca 0.12 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1a5e h GLU 27 Cb 0.01 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1a5e h GLU 27 CO -0.03 0.91 0.04 0.28 -1.18 0.00 0.00 179.01 179.03 1a5e h VAL 28 N -0.27 1.22 -0.49 0.32 2.07 -1.06 1.22 116.25 119.26 1a5e h VAL 28 Ca -0.03 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1a5e h VAL 28 Cb 0.98 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 1a5e h VAL 28 CO 0.06 0.22 0.17 0.03 0.02 0.00 0.00 177.57 178.07 1a5e h ARG 29 N 0.16 0.33 0.03 1.57 2.47 -0.92 0.61 114.38 118.63 1a5e h ARG 29 Ca 0.07 -0.02 -0.25 0.00 -1.26 0.00 0.00 59.98 58.51 1a5e h ARG 29 Cb 0.30 -0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1a5e h ARG 29 CO 0.00 0.22 -1.05 0.00 0.56 0.00 0.00 179.97 179.70 1a5e h ALA 30 N 1.33 0.22 0.67 0.04 0.00 -1.34 -3.10 119.26 117.08 1a5e h ALA 30 Ca 0.24 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1a5e h ALA 30 Cb 0.25 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1a5e h ALA 30 CO -0.25 0.78 -0.32 -0.07 0.00 0.00 0.00 179.25 179.39 1a5e h LEU 31 N 0.26 -0.76 -0.85 0.00 3.38 0.21 -0.90 115.31 116.64 1a5e h LEU 31 Ca -0.11 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.07 1a5e h LEU 31 Cb 1.70 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 42.53 1a5e h LEU 31 CO 0.19 -0.53 0.36 -0.07 0.09 0.00 0.00 178.44 178.48 1a5e h LEU 32 N -0.94 0.31 -0.45 1.67 3.38 -1.04 1.01 115.31 119.25 1a5e h LEU 32 Ca -0.09 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1a5e h LEU 32 Cb 0.69 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1a5e h LEU 32 CO 0.15 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 178.10 1a5e n GLU 33 N -5.03 0.15 0.00 1.13 1.02 -1.16 -2.28 120.64 114.47 1a5e n GLU 33 Ca 0.19 0.35 0.11 0.00 -0.02 0.00 0.00 57.16 57.80 1a5e n GLU 33 Cb 0.57 -1.76 0.14 0.00 -0.02 0.00 0.00 31.44 30.36 1a5e n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a5e n ALA 34 N -1.70 3.88 0.00 0.62 0.00 0.34 -4.90 120.51 118.75 1a5e n ALA 34 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1a5e n ALA 34 Cb 0.23 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1a5e n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 35 N 1.50 0.20 3.52 0.00 0.00 -0.85 -5.07 105.19 104.48 1a5e n GLY 35 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1a5e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e n ALA 36 N 0.00 0.88 -1.67 4.61 0.00 -0.86 -4.81 120.51 118.65 1a5e n ALA 36 Ca 0.00 -0.51 -0.53 0.00 0.00 0.00 0.00 53.44 52.40 1a5e n ALA 36 Cb 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 19.45 16.57 1a5e n ALA 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1a5e n LEU 37 N 12.85 2.55 -0.11 0.00 7.94 -1.26 -4.59 117.00 134.37 1a5e n LEU 37 Ca 0.43 1.06 -0.12 0.00 -1.11 0.00 0.00 56.01 56.28 1a5e n LEU 37 Cb 0.35 -1.24 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 1a5e n LEU 37 CO 0.76 -0.46 0.69 1.55 -1.11 0.00 0.00 177.39 178.82 1a5e h PRO 38 N 6.95 0.67 -2.24 1.96 0.13 -1.87 -3.17 132.00 134.43 1a5e h PRO 38 Ca -0.47 -0.27 -0.61 0.00 -0.87 0.00 0.00 66.00 63.78 1a5e h PRO 38 Cb 1.30 -0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.24 1a5e h PRO 38 CO 0.91 0.86 1.20 0.09 -0.23 0.00 0.00 178.00 180.83 1a5e n ASN 39 N -4.39 7.13 -4.24 1.44 5.03 -1.26 -4.61 115.26 114.37 1a5e n ASN 39 Ca -0.02 -3.21 -0.43 0.00 0.87 0.00 0.00 54.58 51.78 1a5e n ASN 39 Cb 0.36 -1.28 -0.06 0.00 -1.02 0.00 0.00 39.78 37.79 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 -1.65 3.73 -0.69 5.41 0.00 -1.20 -5.01 121.76 122.34 1a5e s ALA 40 Ca 0.56 -3.01 -0.26 0.00 0.00 0.00 0.00 51.96 49.25 1a5e s ALA 40 Cb 0.30 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1a5e s ALA 40 CO -0.18 -2.11 1.92 -1.25 0.00 0.00 0.00 175.76 174.14 1a5e s PRO 41 N 0.59 2.56 0.00 0.00 0.04 -1.26 -4.62 135.00 132.31 1a5e s PRO 41 Ca 0.13 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1a5e s PRO 41 Cb -0.19 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.76 1a5e s PRO 41 CO -0.04 -2.97 0.00 0.27 0.04 0.00 0.00 177.00 174.30 1a5e n ASN 42 N 13.34 0.00 -2.01 6.66 6.94 -1.26 -4.82 115.26 134.11 1a5e n ASN 42 Ca 0.27 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.61 1a5e n ASN 42 Cb 0.51 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 38.01 1a5e n ASN 42 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1a5e n SER 43 N 0.00 5.77 0.00 0.53 2.88 -1.26 -4.04 113.62 117.51 1a5e n SER 43 Ca 0.00 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 1a5e n SER 43 Cb 0.00 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1a5e n SER 43 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1a5e n TYR 44 N -0.37 0.00 -1.86 0.66 4.01 -1.26 -4.99 117.16 113.35 1a5e n TYR 44 Ca 0.44 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 58.04 1a5e n TYR 44 Cb 0.87 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.87 1a5e n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a5e n GLY 45 N 0.48 0.49 1.38 2.72 0.00 -1.26 -4.78 105.19 104.22 1a5e n GLY 45 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1a5e n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5e n ARG 46 N -2.32 2.18 -0.72 1.61 1.74 -1.26 -4.80 116.66 113.08 1a5e n ARG 46 Ca -0.15 -3.38 0.10 0.00 -0.77 0.00 0.00 57.85 53.66 1a5e n ARG 46 Cb 0.52 -1.92 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 1a5e n ARG 46 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1a5e n ARG 47 N -1.04 -1.45 0.05 5.56 5.12 -1.26 -2.84 116.66 120.80 1a5e n ARG 47 Ca 0.37 0.96 0.12 0.00 -1.93 0.00 0.00 57.85 57.37 1a5e n ARG 47 Cb 0.98 -1.77 0.26 0.00 -1.16 0.00 0.00 32.46 30.77 1a5e n ARG 47 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1a5e n PRO 48 N -2.38 0.22 -0.08 5.56 -0.04 -1.26 -4.22 135.00 132.80 1a5e n PRO 48 Ca 0.00 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1a5e n PRO 48 Cb 0.58 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 1a5e n PRO 48 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1a5e n ILE 49 N -1.99 0.92 -0.33 0.52 5.41 -1.26 -4.46 119.36 118.17 1a5e n ILE 49 Ca 0.04 -0.32 0.36 0.00 1.00 0.00 0.00 62.75 63.84 1a5e n ILE 49 Cb 0.41 -1.27 0.73 0.00 -0.71 0.00 0.00 39.64 38.80 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 -0.19 0.00 -0.91 0.38 4.15 -1.71 0.54 115.11 117.37 1a5e h GLN 50 Ca -0.38 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.42 1a5e h GLN 50 Cb 1.50 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 28.84 1a5e h GLN 50 CO -0.12 0.00 0.09 1.55 -1.93 0.00 0.00 178.83 178.42 1a5e n VAL 51 N -3.96 3.12 -1.18 2.39 3.14 -1.16 -4.64 118.33 116.04 1a5e n VAL 51 Ca 0.27 -3.57 -0.24 0.00 -2.96 0.00 0.00 64.34 57.84 1a5e n VAL 51 Cb 1.35 -1.15 0.17 0.00 -1.06 0.00 0.00 33.84 33.15 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 -0.81 2.23 -0.33 1.45 0.00 0.19 -0.33 117.12 119.52 1a5e n MET 52 Ca 0.54 -2.94 0.00 0.00 0.00 0.00 0.00 57.70 55.30 1a5e n MET 52 Cb 0.79 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.86 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 -1.10 0.00 -2.30 3.17 1.56 -1.19 -3.73 117.12 113.54 1a5e n MET 53 Ca 0.59 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.99 1a5e n MET 53 Cb 1.61 -3.75 -0.00 0.00 2.15 0.00 0.00 33.22 33.23 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 -2.60 0.00 2.12 2.81 -1.26 -4.65 117.12 111.54 1a5e n MET 54 Ca 0.00 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1a5e n MET 54 Cb 0.00 -4.58 0.00 0.00 -0.71 0.00 0.00 33.22 27.93 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 -0.49 0.69 2.63 3.03 0.00 -1.24 -4.64 105.19 105.16 1a5e n GLY 55 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1a5e n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5e s SER 56 N -0.50 1.38 0.51 1.61 0.01 -1.26 -4.98 113.70 110.47 1a5e s SER 56 Ca 0.00 -2.02 0.24 0.00 1.31 0.00 0.00 55.95 55.48 1a5e s SER 56 Cb 0.00 0.28 1.34 0.00 0.21 0.00 0.00 66.02 67.85 1a5e s SER 56 CO 0.00 -0.23 1.96 0.00 0.41 0.00 0.00 173.24 175.38 1a5e h ALA 57 N 6.60 2.48 -0.90 1.44 0.00 -1.92 0.13 119.26 127.09 1a5e h ALA 57 Ca 0.10 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1a5e h ALA 57 Cb 1.01 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1a5e h ALA 57 CO 0.23 -0.66 0.58 0.00 0.00 0.00 0.00 179.25 179.39 1a5e h ARG 58 N 0.08 0.70 0.89 0.00 -0.00 -1.95 0.35 114.38 114.44 1a5e h ARG 58 Ca 0.30 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.98 59.70 1a5e h ARG 58 Cb 1.10 -0.16 0.01 0.00 0.00 0.00 0.00 29.97 30.91 1a5e h ARG 58 CO -0.03 0.46 -0.43 0.28 0.00 0.00 0.00 179.97 180.25 1a5e h VAL 59 N 0.72 0.00 -0.29 2.04 2.07 -1.07 -1.10 116.25 118.63 1a5e h VAL 59 Ca 0.45 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.06 1a5e h VAL 59 Cb 0.69 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1a5e h VAL 59 CO -0.21 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.71 1a5e h ALA 60 N -1.43 1.96 -0.64 1.67 0.00 -1.40 -2.27 119.26 117.15 1a5e h ALA 60 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1a5e h ALA 60 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1a5e h ALA 60 CO 0.19 -0.48 0.00 -1.91 0.00 0.00 0.00 179.25 177.06 1a5e n GLU 61 N -3.74 0.00 -0.20 0.00 0.00 0.11 0.17 120.64 116.99 1a5e n GLU 61 Ca 0.04 0.55 0.06 0.00 0.00 0.00 0.00 57.16 57.82 1a5e n GLU 61 Cb 0.48 -1.39 0.34 0.00 0.00 0.00 0.00 31.44 30.86 1a5e n GLU 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1a5e h LEU 62 N 0.00 0.69 0.54 4.31 6.46 -1.38 0.66 115.31 126.61 1a5e h LEU 62 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1a5e h LEU 62 Cb 0.00 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.78 1a5e h LEU 62 CO 0.00 0.45 -0.33 -0.07 -0.62 0.00 0.00 178.44 177.87 1a5e h LEU 63 N 0.79 -0.83 -1.73 2.25 3.38 -0.98 1.49 115.31 119.68 1a5e h LEU 63 Ca 0.32 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1a5e h LEU 63 Cb 0.25 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1a5e h LEU 63 CO -0.11 -0.51 0.01 -0.07 0.09 0.00 0.00 178.44 177.85 1a5e h LEU 64 N -0.82 0.16 -0.07 1.67 3.38 0.21 0.69 115.31 120.52 1a5e h LEU 64 Ca -0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1a5e h LEU 64 Cb 0.65 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1a5e h LEU 64 CO 0.08 0.18 -0.05 0.25 0.09 0.00 0.00 178.44 179.00 1a5e h LEU 65 N 0.18 0.17 -0.19 1.67 5.85 0.84 -3.01 115.31 120.82 1a5e h LEU 65 Ca 0.04 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1a5e h LEU 65 Cb 0.11 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1a5e h LEU 65 CO 0.00 0.57 0.00 -0.74 -0.34 0.00 0.00 178.44 177.93 1a5e h HIS 66 N -0.23 0.00 0.00 1.25 2.76 0.26 -3.47 115.15 115.72 1a5e h HIS 66 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1a5e h HIS 66 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1a5e h HIS 66 CO 0.07 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.11 1a5e n GLY 67 N 1.00 0.72 0.00 5.26 0.00 0.19 -4.90 105.19 107.45 1a5e n GLY 67 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.00 -2.65 4.61 0.00 0.16 -4.13 120.51 118.50 1a5e n ALA 68 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1a5e n ALA 68 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1a5e n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a5e n GLU 69 N 0.00 3.45 0.11 0.00 -0.58 -1.26 -4.79 120.64 117.57 1a5e n GLU 69 Ca 0.00 -4.61 0.11 0.00 -0.42 0.00 0.00 57.16 52.25 1a5e n GLU 69 Cb 0.00 -2.26 0.47 0.00 -0.57 0.00 0.00 31.44 29.07 1a5e n GLU 69 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1a5e n PRO 70 N -0.35 0.17 0.00 3.49 -0.04 -1.26 -4.26 135.00 132.75 1a5e n PRO 70 Ca 0.37 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1a5e n PRO 70 Cb 0.48 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1a5e n PRO 70 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1a5e n ASN 71 N -2.15 0.00 -4.48 3.54 2.85 -1.26 -4.25 115.26 109.52 1a5e n ASN 71 Ca 0.03 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.07 1a5e n ASN 71 Cb 0.24 -0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.11 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a5e n ALA 73 N -0.60 0.00 -2.82 0.00 0.00 -1.26 -4.63 120.51 111.19 1a5e n ALA 73 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.22 1a5e n ALA 73 Cb 0.37 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 0.90 5.94 0.38 0.00 2.15 -1.24 -4.94 116.67 119.86 1a5e s ASP 74 Ca 0.00 0.25 0.28 0.00 0.43 0.00 0.00 52.55 53.51 1a5e s ASP 74 Cb 0.00 -1.79 1.06 0.00 -0.30 0.00 0.00 42.92 41.89 1a5e s ASP 74 CO 0.00 0.30 1.81 1.55 -0.17 0.00 0.00 175.17 178.67 1a5e h PRO 75 N 4.27 0.00 0.00 4.34 0.13 -1.96 0.14 132.00 138.92 1a5e h PRO 75 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1a5e h PRO 75 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a5e h PRO 75 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1a5e n ALA 76 N -1.92 -0.06 -1.38 -0.56 0.00 -1.26 -4.38 120.51 110.94 1a5e n ALA 76 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.47 1a5e n ALA 76 Cb 0.30 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.76 2.37 -2.65 0.00 -2.24 -1.26 -4.94 114.28 104.79 1a5e n THR 77 Ca 0.00 -2.69 -0.10 0.00 -2.27 0.00 0.00 64.05 58.98 1a5e n THR 77 Cb 0.00 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.08 -0.76 -4.55 3.22 4.77 0.49 -0.85 117.00 118.25 1a5e n LEU 78 Ca 0.26 0.19 -0.38 0.00 -0.03 0.00 0.00 56.01 56.05 1a5e n LEU 78 Cb 0.89 -1.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.26 1a5e n LEU 78 CO 0.11 -0.04 1.72 -0.89 -1.33 0.00 0.00 177.39 176.97 1a5e s THR 79 N -2.45 3.26 0.80 -5.08 2.01 -1.25 -4.22 115.64 108.71 1a5e s THR 79 Ca 0.08 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 1a5e s THR 79 Cb -0.04 -3.68 0.07 0.00 0.01 0.00 0.00 72.50 68.86 1a5e s THR 79 CO 0.10 -0.65 1.10 -0.13 -0.69 0.00 0.00 174.62 174.35 1a5e s ARG 80 N 7.33 2.09 0.08 4.92 0.52 -1.26 -3.68 118.95 128.95 1a5e s ARG 80 Ca 0.76 0.56 0.19 0.00 -0.52 0.00 0.00 55.73 56.72 1a5e s ARG 80 Cb -0.14 -1.93 0.79 0.00 0.52 0.00 0.00 34.95 34.20 1a5e s ARG 80 CO 0.23 -1.60 1.60 -0.35 0.02 0.00 0.00 175.30 175.19 1a5e n PRO 81 N -3.41 0.07 -0.05 3.54 -0.04 -1.26 -3.03 135.00 130.82 1a5e n PRO 81 Ca 0.07 0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 63.67 1a5e n PRO 81 Cb 0.57 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 1a5e n PRO 81 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a5e h VAL 82 N 0.00 1.34 -0.42 0.52 2.07 -1.91 -3.19 116.25 114.66 1a5e h VAL 82 Ca 0.00 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.34 1a5e h VAL 82 Cb 0.33 1.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 1a5e h VAL 82 CO 0.00 0.37 -0.07 0.45 0.02 0.00 0.00 177.57 178.34 1a5e h HIS 83 N -0.02 -0.16 -0.81 1.57 3.86 -1.85 -2.24 115.15 115.50 1a5e h HIS 83 Ca 0.03 0.04 0.13 0.00 -1.16 0.00 0.00 60.37 59.40 1a5e h HIS 83 Cb 0.65 0.14 -0.14 0.00 1.06 0.00 0.00 27.41 29.12 1a5e h HIS 83 CO 0.08 -0.15 -0.39 -0.44 0.86 0.00 0.00 177.93 177.89 1a5e h ASP 84 N 0.03 -1.39 0.25 2.45 5.19 -1.69 1.56 116.42 122.83 1a5e h ASP 84 Ca 0.20 0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 56.89 1a5e h ASP 84 Cb 0.31 0.70 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 1a5e h ASP 84 CO -0.41 -0.30 -0.38 0.00 -3.12 0.00 0.00 179.24 175.03 1a5e h ALA 85 N 1.12 -0.98 0.00 3.45 0.00 -1.46 -1.79 119.26 119.61 1a5e h ALA 85 Ca 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1a5e h ALA 85 Cb 0.57 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1a5e h ALA 85 CO -0.85 -1.03 -0.10 0.00 0.00 0.00 0.00 179.25 177.27 1a5e h ALA 86 N -0.99 1.45 0.00 0.00 0.00 -1.26 0.18 119.26 118.64 1a5e h ALA 86 Ca -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1a5e h ALA 86 Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a5e h ALA 86 CO -0.12 0.12 -0.10 -0.09 0.00 0.00 0.00 179.25 179.06 1a5e h ARG 87 N 0.00 0.00 0.00 0.00 1.12 0.31 -2.94 114.38 112.87 1a5e h ARG 87 Ca -0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1a5e h ARG 87 Cb 0.23 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.19 1a5e h ARG 87 CO 0.01 0.10 -1.57 0.39 -3.11 0.00 0.00 179.97 175.80 1a5e n GLU 88 N -4.19 0.51 -0.60 0.20 1.02 -0.74 -4.94 120.64 111.90 1a5e n GLU 88 Ca -0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1a5e n GLU 88 Cb 0.18 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a5e n GLY 89 N 1.86 1.40 3.34 0.62 0.00 0.51 -5.01 105.19 107.91 1a5e n GLY 89 Ca -0.03 -0.23 -0.46 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.07 3.84 0.27 1.61 2.19 -0.49 -4.88 117.98 118.45 1a5e s PHE 90 Ca 0.00 -2.11 -0.04 0.00 0.33 0.00 0.00 56.93 55.11 1a5e s PHE 90 Cb 0.00 -3.85 0.33 0.00 -1.31 0.00 0.00 43.02 38.19 1a5e s PHE 90 CO 0.00 -1.01 1.92 1.25 1.83 0.00 0.00 175.22 179.21 1a5e h LEU 91 N 7.69 1.05 -0.79 6.12 7.12 -1.95 -2.63 115.31 131.92 1a5e h LEU 91 Ca 0.13 -0.05 0.19 0.00 0.13 0.00 0.00 57.88 58.27 1a5e h LEU 91 Cb 1.01 -0.26 -0.13 0.00 -0.53 0.00 0.00 40.66 40.74 1a5e h LEU 91 CO 0.82 0.79 0.12 0.44 -0.13 0.00 0.00 178.44 180.48 1a5e h ASP 92 N 1.21 -0.14 -0.33 1.25 3.32 -1.98 0.11 116.42 119.86 1a5e h ASP 92 Ca 0.32 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.55 1a5e h ASP 92 Cb -0.08 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1a5e h ASP 92 CO -0.06 -0.13 0.18 0.74 -1.72 0.00 0.00 179.24 178.25 1a5e h THR 93 N 0.18 1.13 0.02 0.35 2.02 -1.80 -2.87 112.91 111.94 1a5e h THR 93 Ca 0.46 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1a5e h THR 93 Cb 0.84 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 1a5e h THR 93 CO -0.62 0.13 -0.44 0.25 0.37 0.00 0.00 175.52 175.21 1a5e h LEU 94 N 0.41 -1.35 -0.61 2.58 5.85 -0.78 -1.10 115.31 120.31 1a5e h LEU 94 Ca 0.12 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.12 1a5e h LEU 94 Cb 0.05 0.52 -0.12 0.00 0.37 0.00 0.00 40.66 41.49 1a5e h LEU 94 CO -0.02 -0.48 -0.18 0.58 -0.34 0.00 0.00 178.44 178.00 1a5e h VAL 95 N -0.61 0.34 -0.15 1.05 2.07 -1.32 -0.74 116.25 116.89 1a5e h VAL 95 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1a5e h VAL 95 Cb 0.68 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1a5e h VAL 95 CO -0.31 0.00 -0.11 0.58 0.02 0.00 0.00 177.57 177.75 1a5e h VAL 96 N -0.03 0.69 -0.10 2.57 2.07 -1.16 0.99 116.25 121.28 1a5e h VAL 96 Ca 0.29 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.85 1a5e h VAL 96 Cb 0.47 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1a5e h VAL 96 CO -0.64 0.00 -0.35 -0.07 0.02 0.00 0.00 177.57 176.53 1a5e h LEU 97 N -0.11 -1.07 -0.20 2.57 4.07 0.08 -1.06 115.31 119.59 1a5e h LEU 97 Ca 0.09 0.15 -0.15 0.00 0.08 0.00 0.00 57.88 58.05 1a5e h LEU 97 Cb 0.25 0.44 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1a5e h LEU 97 CO -0.22 -0.39 -0.45 -0.74 -1.08 0.00 0.00 178.44 175.57 1a5e h HIS 98 N -0.44 0.84 0.00 1.13 2.76 -1.11 0.36 115.15 118.69 1a5e h HIS 98 Ca 0.08 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 1a5e h HIS 98 Cb 0.58 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.38 1a5e h HIS 98 CO -0.41 1.09 0.00 -2.13 -1.30 0.00 0.00 177.93 175.18 1a5e n ARG 99 N -4.19 0.05 0.10 5.26 0.63 0.34 -4.07 116.66 114.78 1a5e n ARG 99 Ca -0.06 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1a5e n ARG 99 Cb 0.57 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1a5e n ARG 99 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a5e n ALA 100 N -1.37 3.00 -3.15 5.13 0.00 -0.43 -5.01 120.51 118.69 1a5e n ALA 100 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1a5e n ALA 100 Cb 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -4.67 -0.44 -0.29 0.00 0.00 0.12 -5.08 107.32 96.95 1a5e s GLY 101 Ca 0.00 2.64 -0.19 0.00 0.00 0.00 0.00 44.72 47.17 1a5e s GLY 101 CO 0.00 3.82 1.14 0.00 0.00 0.00 0.00 173.10 178.06 1a5e s ALA 102 N 2.95 -2.31 -1.12 3.20 0.00 -0.71 -4.29 121.76 119.48 1a5e s ALA 102 Ca 0.03 2.00 -0.11 0.00 0.00 0.00 0.00 51.96 53.88 1a5e s ALA 102 Cb -0.10 -1.74 0.25 0.00 0.00 0.00 0.00 23.12 21.53 1a5e s ALA 102 CO -0.13 -0.28 1.18 0.50 0.00 0.00 0.00 175.76 177.04 1a5e s ARG 103 N 0.83 4.14 -0.74 0.00 3.52 -1.26 -4.64 118.95 120.80 1a5e s ARG 103 Ca -0.04 -3.01 -0.19 0.00 -0.13 0.00 0.00 55.73 52.37 1a5e s ARG 103 Cb -0.04 -4.68 -0.15 0.00 -1.56 0.00 0.00 34.95 28.52 1a5e s ARG 103 CO -0.12 -1.38 1.92 1.28 -0.81 0.00 0.00 175.30 176.19 1a5e n LEU 104 N 3.56 4.00 -1.29 -0.88 4.32 -1.26 -3.75 117.00 121.69 1a5e n LEU 104 Ca 0.27 -2.78 -0.03 0.00 -0.02 0.00 0.00 56.01 53.45 1a5e n LEU 104 Cb 0.41 -1.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.14 1a5e n LEU 104 CO 0.50 -0.28 0.31 -0.67 -1.22 0.00 0.00 177.39 176.03 1a5e n ASP 105 N 6.87 -0.70 -2.06 -1.43 2.03 -1.26 -2.07 116.55 117.93 1a5e n ASP 105 Ca 0.47 -1.39 -0.01 0.00 0.52 0.00 0.00 54.79 54.39 1a5e n ASP 105 Cb 0.34 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1a5e n ASP 105 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1a5e n VAL 106 N -0.33 0.00 -4.24 5.18 3.14 -1.25 -5.07 118.33 115.77 1a5e n VAL 106 Ca -0.15 -0.04 -0.18 0.00 -2.96 0.00 0.00 64.34 61.01 1a5e n VAL 106 Cb 0.59 -0.69 -0.13 0.00 -1.06 0.00 0.00 33.84 32.55 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 -2.05 0.82 -0.76 1.45 0.52 -1.26 -4.36 118.95 113.30 1a5e s ARG 107 Ca 0.01 -0.80 -0.08 0.00 -0.52 0.00 0.00 55.73 54.34 1a5e s ARG 107 Cb -0.00 -0.80 -0.17 0.00 0.52 0.00 0.00 34.95 34.50 1a5e s ARG 107 CO 0.01 0.19 3.19 -3.47 0.02 0.00 0.00 175.30 175.23 1a5e n ASP 108 N 1.67 6.66 0.00 0.23 -0.08 -0.94 -4.54 116.55 119.55 1a5e n ASP 108 Ca -0.19 -2.49 0.00 0.00 -1.51 0.00 0.00 54.79 50.60 1a5e n ASP 108 Cb 0.55 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.57 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a5e n ALA 109 N 3.07 0.00 -0.33 -1.67 0.00 -0.03 -4.07 120.51 117.48 1a5e n ALA 109 Ca 0.58 0.00 0.08 0.00 0.00 0.00 0.00 53.44 54.10 1a5e n ALA 109 Cb 0.56 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.31 0.00 0.00 -0.00 -1.87 -3.45 115.95 110.31 1a5e h TRP 110 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 1a5e h TRP 110 Cb 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 29.16 29.45 1a5e h TRP 110 CO 0.00 -0.40 0.00 0.41 -0.00 0.00 0.00 178.44 178.45 1a5e n GLY 111 N -1.55 2.34 3.59 1.49 0.00 -1.26 -5.13 105.19 104.66 1a5e n GLY 111 Ca 0.18 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1a5e n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a5e n ARG 112 N 0.00 0.09 -3.61 1.61 0.00 -1.26 -4.68 116.66 108.81 1a5e n ARG 112 Ca 0.00 0.10 -0.21 0.00 -0.00 0.00 0.00 57.85 57.74 1a5e n ARG 112 Cb 0.00 -2.19 -0.03 0.00 -0.00 0.00 0.00 32.46 30.24 1a5e n ARG 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1a5e s LEU 113 N -3.64 3.50 0.44 2.89 1.43 -1.26 -2.21 118.68 119.83 1a5e s LEU 113 Ca 0.68 -0.61 0.19 0.00 -1.03 0.00 0.00 54.13 53.36 1a5e s LEU 113 Cb -0.29 -2.18 1.04 0.00 0.03 0.00 0.00 46.19 44.80 1a5e s LEU 113 CO 0.56 -0.54 1.95 1.55 0.23 0.00 0.00 176.35 180.09 1a5e h PRO 114 N 1.08 0.00 0.02 1.29 0.13 -1.95 -2.38 132.00 130.19 1a5e h PRO 114 Ca -0.43 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 1a5e h PRO 114 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1a5e h PRO 114 CO 0.57 0.23 -0.96 -0.24 -0.23 0.00 0.00 178.00 177.37 1a5e h VAL 115 N 0.00 1.58 -0.08 1.56 3.04 -1.90 -3.22 116.25 117.22 1a5e h VAL 115 Ca -0.00 -2.95 0.00 0.00 -1.01 0.00 0.00 66.70 62.74 1a5e h VAL 115 Cb 0.47 2.66 -0.00 0.00 -2.01 0.00 0.00 31.29 32.40 1a5e h VAL 115 CO 0.03 0.85 0.05 -0.78 -1.01 0.00 0.00 177.57 176.71 1a5e h ASP 116 N 0.05 0.09 0.53 3.17 1.82 -1.79 -1.28 116.42 119.01 1a5e h ASP 116 Ca -0.04 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.57 1a5e h ASP 116 Cb 1.64 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.62 1a5e h ASP 116 CO 0.14 0.07 -0.37 -0.07 -1.61 0.00 0.00 179.24 177.40 1a5e h LEU 117 N 0.10 -0.96 -0.16 2.28 3.38 -1.62 -2.01 115.31 116.33 1a5e h LEU 117 Ca 0.03 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1a5e h LEU 117 Cb -0.01 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1a5e h LEU 117 CO -0.01 -0.56 -0.32 0.00 0.09 0.00 0.00 178.44 177.64 1a5e h ALA 118 N -0.52 -0.35 -0.95 1.53 0.00 -1.55 0.51 119.26 117.93 1a5e h ALA 118 Ca -0.06 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.09 1a5e h ALA 118 Cb 0.73 0.62 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 1a5e h ALA 118 CO 0.03 -0.79 0.51 1.49 0.00 0.00 0.00 179.25 180.49 1a5e h GLU 119 N -0.38 0.54 0.00 0.00 4.22 -1.11 0.24 114.58 118.09 1a5e h GLU 119 Ca 0.10 -0.03 -0.14 0.00 0.08 0.00 0.00 59.36 59.37 1a5e h GLU 119 Cb 0.54 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1a5e h GLU 119 CO -0.37 0.36 -0.65 0.93 -2.18 0.00 0.00 179.01 177.10 1a5e h GLU 120 N 0.56 0.00 -0.01 1.92 5.08 -0.41 -3.12 114.58 118.59 1a5e h GLU 120 Ca 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.94 1a5e h GLU 120 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1a5e h GLU 120 CO -0.46 0.64 0.00 1.28 -1.00 0.00 0.00 179.01 179.47 1a5e n LEU 121 N -3.26 0.16 0.00 1.33 4.77 0.17 -4.85 117.00 115.32 1a5e n LEU 121 Ca 0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1a5e n LEU 121 Cb 0.79 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1a5e n LEU 121 CO 0.42 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1a5e n GLY 122 N 0.90 0.44 2.63 -0.72 0.00 -0.58 -4.93 105.19 102.92 1a5e n GLY 122 Ca 0.18 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.96 2.35 -0.41 1.61 -0.00 -0.01 -4.80 115.22 111.00 1a5e n HIS 123 Ca 0.00 -2.31 -0.10 0.00 -0.00 0.00 0.00 57.72 55.31 1a5e n HIS 123 Cb 0.00 -1.38 -0.08 0.00 -0.00 0.00 0.00 29.99 28.52 1a5e n HIS 123 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1a5e n ARG 124 N 0.49 -0.41 -0.34 -0.41 5.12 -1.26 0.72 116.66 120.57 1a5e n ARG 124 Ca 0.53 1.51 0.18 0.00 -1.93 0.00 0.00 57.85 58.14 1a5e n ARG 124 Cb 0.36 -2.23 0.40 0.00 -1.16 0.00 0.00 32.46 29.84 1a5e n ARG 124 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1a5e h ASP 125 N 0.00 0.64 0.34 0.55 3.32 -1.97 0.48 116.42 119.78 1a5e h ASP 125 Ca 0.18 0.13 -0.33 0.00 0.02 0.00 0.00 57.03 57.04 1a5e h ASP 125 Cb 0.43 0.03 0.03 0.00 0.22 0.00 0.00 39.33 40.04 1a5e h ASP 125 CO -0.95 0.10 -1.47 0.58 -1.72 0.00 0.00 179.24 175.78 1a5e h VAL 126 N 0.56 1.28 -0.63 -1.35 2.07 -0.39 -1.97 116.25 115.81 1a5e h VAL 126 Ca 0.64 -2.76 -0.07 0.00 0.82 0.00 0.00 66.70 65.33 1a5e h VAL 126 Cb 1.27 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 33.99 1a5e h VAL 126 CO -0.45 0.83 0.11 0.00 0.02 0.00 0.00 177.57 178.09 1a5e h ALA 127 N 0.25 1.00 -0.09 1.67 0.00 0.21 -0.94 119.26 121.36 1a5e h ALA 127 Ca -0.24 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1a5e h ALA 127 Cb 2.12 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 19.67 1a5e h ALA 127 CO 0.25 0.64 -0.62 0.00 0.00 0.00 0.00 179.25 179.51 1a5e h ARG 128 N 0.97 0.58 -0.95 0.00 3.08 -0.21 -1.96 114.38 115.89 1a5e h ARG 128 Ca 0.20 -0.50 0.01 0.00 0.07 0.00 0.00 59.98 59.76 1a5e h ARG 128 Cb 0.40 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1a5e h ARG 128 CO 0.01 1.13 0.63 -0.92 -1.07 0.00 0.00 179.97 179.74 1a5e h TYR 129 N 0.20 1.18 -0.34 3.04 5.03 -1.20 -2.22 116.97 122.66 1a5e h TYR 129 Ca -0.05 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 1a5e h TYR 129 Cb 1.27 -0.40 -0.01 0.00 1.55 0.00 0.00 36.73 39.14 1a5e h TYR 129 CO 0.11 0.74 -0.16 -0.07 -1.32 0.00 0.00 178.16 177.46 1a5e h LEU 130 N 1.27 0.73 -2.70 2.82 3.38 -1.17 -2.56 115.31 117.07 1a5e h LEU 130 Ca 0.35 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a5e h LEU 130 Cb -0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 1a5e h LEU 130 CO -0.08 0.97 0.08 -0.09 0.09 0.00 0.00 178.44 179.40 1a5e h ARG 131 N 0.49 0.00 0.05 1.13 2.43 -0.78 1.51 114.38 119.22 1a5e h ARG 131 Ca 0.08 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1a5e h ARG 131 Cb 0.69 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1a5e h ARG 131 CO 0.05 0.00 -0.66 0.00 -1.51 0.00 0.00 179.97 177.85 1a5e h ALA 132 N 1.86 0.05 0.00 2.80 0.00 -1.03 -2.27 119.26 120.67 1a5e h ALA 132 Ca 0.01 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1a5e h ALA 132 Cb 0.16 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a5e h ALA 132 CO -0.00 0.35 -0.49 0.00 0.00 0.00 0.00 179.25 179.11 1a5e n ALA 133 N -2.82 2.82 -0.04 0.00 0.00 -0.86 -4.48 120.51 115.12 1a5e n ALA 133 Ca -0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.01 1a5e n ALA 133 Cb 0.67 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.80 0.84 -0.56 0.00 0.00 0.51 -4.53 120.51 114.97 1a5e n ALA 134 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1a5e n ALA 134 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1a5e n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 135 N 1.73 -0.03 2.85 0.00 0.00 -0.85 -4.84 105.19 104.05 1a5e n GLY 135 Ca -0.07 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 44.97 1a5e n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5e s GLY 136 N -2.02 -1.42 -0.10 -0.02 0.00 -1.26 -4.98 107.32 97.51 1a5e s GLY 136 Ca 0.00 1.42 0.05 0.00 0.00 0.00 0.00 44.72 46.20 1a5e s GLY 136 CO 0.00 4.26 1.03 -1.30 0.00 0.00 0.00 173.10 177.09 1a5e n THR 137 N 3.98 1.17 -3.24 0.90 -2.24 -1.26 -4.48 114.28 109.11 1a5e n THR 137 Ca 0.06 -0.58 -0.33 0.00 -2.27 0.00 0.00 64.05 60.93 1a5e n THR 137 Cb 0.62 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1a5e n THR 137 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1a5e n ARG 138 N 0.23 3.28 0.00 -0.78 0.00 -1.26 -4.78 116.66 113.36 1a5e n ARG 138 Ca 0.12 -4.65 0.00 0.00 -0.00 0.00 0.00 57.85 53.32 1a5e n ARG 138 Cb 0.66 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.77 1a5e n ARG 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5e n GLY 139 N 0.92 1.04 1.34 5.14 0.00 -1.26 -5.16 105.19 107.20 1a5e n GLY 139 Ca 0.29 -1.13 0.16 0.00 0.00 0.00 0.00 46.02 45.35 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 -7.56 -2.46 1.61 7.64 -1.26 -4.07 113.62 107.51 1a5e n SER 140 Ca 0.00 0.96 -0.26 0.00 1.01 0.00 0.00 58.87 60.58 1a5e n SER 140 Cb 0.00 -4.36 -0.07 0.00 -1.01 0.00 0.00 64.21 58.77 1a5e n SER 140 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1a5e n ASN 141 N -4.30 6.38 -0.66 6.43 4.13 -1.26 -4.88 115.26 121.10 1a5e n ASN 141 Ca -0.04 -3.12 0.00 0.00 1.68 0.00 0.00 54.58 53.10 1a5e n ASN 141 Cb 0.66 -1.26 0.00 0.00 -1.54 0.00 0.00 39.78 37.64 1a5e n ASN 141 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1a5e n HIS 142 N 1.10 0.00 -3.46 3.10 -0.00 -1.26 -5.17 115.22 109.52 1a5e n HIS 142 Ca 0.49 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.70 1a5e n HIS 142 Cb 0.59 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.40 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 -2.00 -2.92 -0.51 1.57 0.00 -1.26 -4.86 121.76 111.79 1a5e s ALA 143 Ca 0.00 1.91 -0.14 0.00 0.00 0.00 0.00 51.96 53.72 1a5e s ALA 143 Cb 0.00 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 21.03 1a5e s ALA 143 CO 0.00 -0.58 0.63 -2.13 0.00 0.00 0.00 175.76 173.68 1a5e n ARG 144 N 3.68 -2.10 -1.91 0.00 3.00 -1.26 -4.97 116.66 113.10 1a5e n ARG 144 Ca -0.13 1.90 -0.32 0.00 -0.00 0.00 0.00 57.85 59.31 1a5e n ARG 144 Cb 0.56 -5.32 0.02 0.00 0.00 0.00 0.00 32.46 27.71 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 -2.61 4.21 0.49 5.15 -4.36 -1.26 -4.85 121.20 117.97 1a5e s ILE 145 Ca 0.20 0.86 0.00 0.00 -0.26 0.00 0.00 60.65 61.45 1a5e s ILE 145 Cb -0.05 -3.55 0.00 0.00 1.25 0.00 0.00 42.46 40.11 1a5e s ILE 145 CO 0.78 -0.80 0.00 -0.67 0.24 0.00 0.00 174.94 174.49 1a5e n ASP 146 N -2.48 -8.27 -1.48 4.36 2.03 -1.26 -5.00 116.55 104.45 1a5e n ASP 146 Ca 0.07 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.45 1a5e n ASP 146 Cb 0.54 -4.66 0.00 0.00 -0.72 0.00 0.00 41.12 36.28 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 -3.45 -1.90 -1.66 -1.67 0.00 -1.26 -4.70 120.51 105.87 1a5e n ALA 147 Ca -0.05 0.43 -0.55 0.00 0.00 0.00 0.00 53.44 53.28 1a5e n ALA 147 Cb 0.68 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.26 -0.35 -3.39 0.00 0.00 -1.26 -4.90 120.51 109.35 1a5e n ALA 148 Ca 0.00 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 1a5e n ALA 148 Cb 0.10 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.29 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 4.35 2.90 0.00 0.00 2.13 -1.26 -5.03 120.64 123.73 1a5e n GLU 149 Ca 0.23 -4.63 0.00 0.00 0.66 0.00 0.00 57.16 53.42 1a5e n GLU 149 Cb 0.17 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.55 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 1.13 0.40 3.75 8.31 0.00 -1.26 -4.95 105.19 112.57 1a5e n GLY 150 Ca 0.28 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 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 4.82 -0.60 1.61 0.04 -1.26 -5.00 135.00 134.61 1a5e s PRO 151 Ca 0.00 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.27 1a5e s PRO 151 Cb 0.00 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.38 1a5e s PRO 151 CO 0.00 0.48 0.97 -1.12 0.04 0.00 0.00 177.00 177.38 1a5e s SER 152 N -1.24 6.27 -0.75 6.66 0.01 -1.26 -4.96 113.70 118.43 1a5e s SER 152 Ca 0.42 -0.56 -0.26 0.00 1.31 0.00 0.00 55.95 56.87 1a5e s SER 152 Cb -0.25 -2.44 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 1a5e s SER 152 CO 0.31 -1.34 2.13 -1.81 0.41 0.00 0.00 173.24 172.95 1a5e s ASP 153 N 3.17 4.70 -0.45 2.44 1.01 -1.26 -4.87 116.67 121.40 1a5e s ASP 153 Ca 0.28 -0.00 0.03 0.00 0.71 0.00 0.00 52.55 53.57 1a5e s ASP 153 Cb -0.14 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.37 1a5e s ASP 153 CO 0.16 -3.02 0.20 -0.51 0.21 0.00 0.00 175.17 172.21 1a5e s ILE 154 N 11.58 2.13 -0.24 0.77 2.07 -1.26 -5.07 121.20 131.18 1a5e s ILE 154 Ca 0.80 -2.81 -0.29 0.00 -1.41 0.00 0.00 60.65 56.94 1a5e s ILE 154 Cb -0.11 -2.51 -0.03 0.00 0.13 0.00 0.00 42.46 39.94 1a5e s ILE 154 CO 0.10 -0.77 1.75 -2.16 -1.91 0.00 0.00 174.94 171.95 1a5e s PRO 155 N 0.24 3.62 0.00 3.50 0.04 -1.26 -5.33 135.00 135.80 1a5e s PRO 155 Ca 0.15 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1a5e s PRO 155 Cb -0.24 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1a5e s PRO 155 CO -0.03 -1.52 0.26 -0.40 0.04 0.00 0.00 177.00 175.35