#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 2.87 -1.20 0.03 2.02 -1.26 -5.01 118.70 116.15 1a5e s GLU 2 Ca 0.00 -1.14 -0.20 0.00 0.02 0.00 0.00 54.97 53.66 1a5e s GLU 2 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 1a5e s GLU 2 CO 0.00 0.28 1.90 -0.35 0.02 0.00 0.00 175.26 177.11 1a5e n PRO 3 N -1.27 2.29 -2.33 0.39 -0.04 -1.26 -4.64 135.00 128.15 1a5e n PRO 3 Ca -0.05 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 1a5e n PRO 3 Cb 0.59 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 1a5e n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5e n ALA 4 N 10.36 -1.98 0.32 0.55 0.00 -1.26 -4.81 120.51 123.70 1a5e n ALA 4 Ca 0.48 0.49 0.15 0.00 0.00 0.00 0.00 53.44 54.56 1a5e n ALA 4 Cb 0.45 -1.48 0.53 0.00 0.00 0.00 0.00 19.45 18.95 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 4.35 1.00 -2.85 0.00 0.00 -2.02 -3.44 119.26 116.30 1a5e h ALA 5 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1a5e h ALA 5 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.88 1a5e h ALA 5 CO 0.00 0.00 0.83 0.20 0.00 0.00 0.00 179.25 180.28 1a5e s GLY 6 N -4.00 2.43 -0.63 0.00 0.00 -1.26 -4.89 107.32 98.96 1a5e s GLY 6 Ca 0.04 1.54 -0.01 0.00 0.00 0.00 0.00 44.72 46.29 1a5e s GLY 6 CO 0.54 2.41 2.00 -1.14 0.00 0.00 0.00 173.10 176.91 1a5e n SER 7 N 1.59 7.18 -3.67 1.64 3.41 -1.26 -4.94 113.62 117.57 1a5e n SER 7 Ca 0.05 -3.77 -0.08 0.00 -0.26 0.00 0.00 58.87 54.81 1a5e n SER 7 Cb 0.38 -0.95 -0.02 0.00 -0.26 0.00 0.00 64.21 63.37 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 -1.81 -0.36 -0.09 4.04 1.04 -1.26 -5.09 113.70 110.16 1a5e s SER 8 Ca 0.64 -0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.67 1a5e s SER 8 Cb 0.50 0.63 0.03 0.00 0.10 0.00 0.00 66.02 67.28 1a5e s SER 8 CO 0.00 -1.11 0.13 0.23 0.98 0.00 0.00 173.24 173.48 1a5e n MET 9 N -0.42 -4.23 -3.78 4.02 0.00 -1.26 -5.01 117.12 106.45 1a5e n MET 9 Ca -0.09 3.15 -0.21 0.00 0.00 0.00 0.00 57.70 60.56 1a5e n MET 9 Cb 0.61 -4.28 -0.02 0.00 0.00 0.00 0.00 33.22 29.53 1a5e n MET 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1a5e s GLU 10 N -0.54 3.01 -0.11 0.03 2.02 -1.26 -5.06 118.70 116.79 1a5e s GLU 10 Ca -0.15 -1.07 -0.30 0.00 0.02 0.00 0.00 54.97 53.47 1a5e s GLU 10 Cb 0.01 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 1a5e s GLU 10 CO 0.42 0.20 1.19 -1.25 0.02 0.00 0.00 175.26 175.83 1a5e s PRO 11 N -4.02 4.31 0.04 0.39 0.04 -1.26 -4.62 135.00 129.88 1a5e s PRO 11 Ca 0.40 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1a5e s PRO 11 Cb -0.08 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1a5e s PRO 11 CO 0.28 -0.53 0.00 0.45 0.04 0.00 0.00 177.00 177.24 1a5e n SER 12 N 5.70 -0.40 0.18 6.66 2.88 -1.26 -4.92 113.62 122.46 1a5e n SER 12 Ca 0.12 0.15 0.14 0.00 -1.33 0.00 0.00 58.87 57.95 1a5e n SER 12 Cb 0.46 0.59 0.61 0.00 -0.75 0.00 0.00 64.21 65.12 1a5e n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5e h ALA 13 N 0.00 1.00 -0.34 -1.46 0.00 -1.98 -2.06 119.26 114.42 1a5e h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5e h ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a5e h ALA 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1a5e n ASP 14 N -2.47 2.24 0.06 0.00 8.00 -1.26 -3.92 116.55 119.20 1a5e n ASP 14 Ca 0.01 -2.10 -0.01 0.00 0.71 0.00 0.00 54.79 53.39 1a5e n ASP 14 Cb 0.19 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 1a5e n ASP 14 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1a5e h TRP 15 N 2.07 0.00 -0.22 1.24 4.06 -1.76 -3.11 115.95 118.22 1a5e h TRP 15 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1a5e h TRP 15 Cb 0.65 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 1a5e h TRP 15 CO 0.31 0.68 0.04 1.37 -3.56 0.00 0.00 178.44 177.27 1a5e h LEU 16 N 0.00 0.28 0.05 -4.49 8.10 -1.79 0.38 115.31 117.84 1a5e h LEU 16 Ca -0.10 -0.03 -0.07 0.00 0.11 0.00 0.00 57.88 57.79 1a5e h LEU 16 Cb 1.61 -0.07 0.01 0.00 -0.44 0.00 0.00 40.66 41.76 1a5e h LEU 16 CO 0.07 0.31 -0.31 0.00 -4.11 0.00 0.00 178.44 174.40 1a5e h ALA 17 N 1.74 -0.02 -0.73 0.17 0.00 -1.83 -3.12 119.26 115.47 1a5e h ALA 17 Ca 0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1a5e h ALA 17 Cb 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1a5e h ALA 17 CO -0.00 0.15 0.30 1.79 0.00 0.00 0.00 179.25 181.49 1a5e h THR 18 N -0.79 1.25 -0.03 0.00 1.35 -1.44 -2.32 112.91 110.92 1a5e h THR 18 Ca -0.06 -0.76 0.03 0.00 -0.55 0.00 0.00 66.41 65.07 1a5e h THR 18 Cb 1.22 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 67.99 1a5e h THR 18 CO 0.04 0.31 -0.17 0.00 -0.25 0.00 0.00 175.52 175.46 1a5e h ALA 19 N 1.15 -0.18 -0.30 6.62 0.00 -0.35 -0.88 119.26 125.32 1a5e h ALA 19 Ca 0.24 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1a5e h ALA 19 Cb 0.19 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1a5e h ALA 19 CO -0.02 -0.65 0.21 0.00 0.00 0.00 0.00 179.25 178.78 1a5e h ALA 20 N 0.69 1.98 -0.56 0.00 0.00 -1.44 -1.51 119.26 118.42 1a5e h ALA 20 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a5e h ALA 20 Cb 0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1a5e h ALA 20 CO -0.18 -0.03 0.37 0.00 0.00 0.00 0.00 179.25 179.41 1a5e h ALA 21 N 1.83 1.62 -0.51 0.00 0.00 -0.60 1.08 119.26 122.68 1a5e h ALA 21 Ca 0.13 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1a5e h ALA 21 Cb 0.21 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1a5e h ALA 21 CO -0.02 0.35 0.16 0.54 0.00 0.00 0.00 179.25 180.27 1a5e n ARG 22 N -4.45 3.14 -3.72 0.00 1.74 -0.61 -3.74 116.66 109.01 1a5e n ARG 22 Ca 0.06 -2.21 -0.25 0.00 -0.77 0.00 0.00 57.85 54.67 1a5e n ARG 22 Cb 0.06 -1.98 0.05 0.00 -1.02 0.00 0.00 32.46 29.58 1a5e n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5e n GLY 23 N 0.06 -0.46 2.82 -0.13 0.00 -0.43 -4.90 105.19 102.14 1a5e n GLY 23 Ca 0.28 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 1a5e n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5e n ARG 24 N -4.66 4.23 -0.14 1.61 3.00 -0.93 -4.83 116.66 114.94 1a5e n ARG 24 Ca -0.06 -4.62 0.27 0.00 -0.00 0.00 0.00 57.85 53.43 1a5e n ARG 24 Cb 0.58 -2.44 0.72 0.00 0.00 0.00 0.00 32.46 31.32 1a5e n ARG 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1a5e h VAL 25 N 3.11 0.59 -0.15 5.15 2.07 -1.91 0.27 116.25 125.37 1a5e h VAL 25 Ca 0.26 -0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.57 1a5e h VAL 25 Cb 0.56 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1a5e h VAL 25 CO 1.18 0.00 -0.75 -0.33 0.02 0.00 0.00 177.57 177.69 1a5e h GLU 26 N 0.00 0.74 -0.12 1.57 5.08 -1.97 -0.84 114.58 119.04 1a5e h GLU 26 Ca 0.39 -0.59 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1a5e h GLU 26 Cb 1.57 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1a5e h GLU 26 CO -0.00 1.20 -0.28 1.49 -1.00 0.00 0.00 179.01 180.42 1a5e h GLU 27 N 0.51 0.21 0.08 2.33 4.57 -1.34 -2.85 114.58 118.09 1a5e h GLU 27 Ca -0.04 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 57.89 1a5e h GLU 27 Cb 1.37 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1a5e h GLU 27 CO 0.15 0.48 -0.83 0.28 -1.18 0.00 0.00 179.01 177.91 1a5e h VAL 28 N 0.19 1.37 -0.64 0.32 2.07 -1.43 -2.56 116.25 115.57 1a5e h VAL 28 Ca 0.03 -2.40 0.13 0.00 0.82 0.00 0.00 66.70 65.28 1a5e h VAL 28 Cb 0.60 2.98 -0.11 0.00 -1.52 0.00 0.00 31.29 33.25 1a5e h VAL 28 CO 0.04 0.63 0.02 -0.09 0.02 0.00 0.00 177.57 178.19 1a5e h ARG 29 N -0.60 0.13 -0.08 1.57 9.65 -1.13 0.16 114.38 124.07 1a5e h ARG 29 Ca -0.18 -0.01 -0.20 0.00 -1.10 0.00 0.00 59.98 58.50 1a5e h ARG 29 Cb 1.46 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 30.01 1a5e h ARG 29 CO 0.03 0.09 -0.76 0.00 2.80 0.00 0.00 179.97 182.13 1a5e h ALA 30 N 1.58 0.52 0.45 2.80 0.00 -1.64 -2.73 119.26 120.24 1a5e h ALA 30 Ca 0.34 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1a5e h ALA 30 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1a5e h ALA 30 CO -0.54 0.75 -0.24 -0.07 0.00 0.00 0.00 179.25 179.16 1a5e h LEU 31 N 0.32 -0.59 -1.52 0.00 3.38 -0.54 -0.53 115.31 115.82 1a5e h LEU 31 Ca -0.04 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.17 1a5e h LEU 31 Cb 1.36 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.20 1a5e h LEU 31 CO 0.14 -0.39 0.62 -0.07 0.09 0.00 0.00 178.44 178.82 1a5e h LEU 32 N -0.64 0.38 -1.31 1.67 3.38 -0.89 0.80 115.31 118.70 1a5e h LEU 32 Ca -0.06 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1a5e h LEU 32 Cb 0.50 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1a5e h LEU 32 CO 0.09 0.14 -0.01 -0.33 0.09 0.00 0.00 178.44 178.42 1a5e h GLU 33 N 0.38 0.00 -0.00 1.13 4.39 -1.14 -2.52 114.58 116.82 1a5e h GLU 33 Ca 0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.19 1a5e h GLU 33 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1a5e h GLU 33 CO -0.18 0.01 -0.50 0.00 -1.16 0.00 0.00 179.01 177.18 1a5e n ALA 34 N -2.09 3.56 0.00 3.43 0.00 0.27 -4.90 120.51 120.78 1a5e n ALA 34 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1a5e n ALA 34 Cb 0.33 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.48 1.97 3.66 0.00 0.00 -0.90 -5.09 105.19 106.31 1a5e n GLY 35 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.17 0.38 -2.04 4.61 0.00 -0.99 -4.91 120.51 117.38 1a5e n ALA 36 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 1a5e n ALA 36 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.21 1a5e n ALA 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5e s LEU 37 N -3.55 4.46 0.29 0.00 1.02 -1.26 -4.86 118.68 114.78 1a5e s LEU 37 Ca 0.78 2.21 0.08 0.00 0.02 0.00 0.00 54.13 57.22 1a5e s LEU 37 Cb -0.37 -3.61 0.44 0.00 0.02 0.00 0.00 46.19 42.68 1a5e s LEU 37 CO 0.46 -0.33 1.67 1.55 0.02 0.00 0.00 176.35 179.72 1a5e h PRO 38 N 5.15 0.13 -2.00 1.29 0.13 -1.90 -3.34 132.00 131.45 1a5e h PRO 38 Ca -0.45 -0.07 -0.49 0.00 -0.87 0.00 0.00 66.00 64.12 1a5e h PRO 38 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 1a5e h PRO 38 CO 0.74 0.60 -1.18 0.09 -0.23 0.00 0.00 178.00 178.02 1a5e n ASN 39 N -3.95 0.79 -4.78 1.44 3.02 -1.25 -3.87 115.26 106.65 1a5e n ASN 39 Ca -0.02 -2.97 -0.31 0.00 -0.03 0.00 0.00 54.58 51.25 1a5e n ASN 39 Cb 0.53 -0.62 0.08 0.00 -0.61 0.00 0.00 39.78 39.15 1a5e n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5e s ALA 40 N -2.27 2.38 -0.06 5.41 0.00 -1.26 -4.96 121.76 121.01 1a5e s ALA 40 Ca 0.39 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 1a5e s ALA 40 Cb 0.32 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1a5e s ALA 40 CO -0.08 -1.60 1.30 -1.25 0.00 0.00 0.00 175.76 174.12 1a5e s PRO 41 N -4.95 4.30 0.23 0.00 0.04 -1.26 -4.90 135.00 128.47 1a5e s PRO 41 Ca 0.60 1.79 0.08 0.00 0.04 0.00 0.00 61.00 63.51 1a5e s PRO 41 Cb -0.16 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 1a5e s PRO 41 CO 0.56 -0.55 0.10 0.54 0.04 0.00 0.00 177.00 177.68 1a5e s ASN 42 N 1.78 5.11 -0.31 6.66 2.20 -1.26 -4.85 114.94 124.27 1a5e s ASN 42 Ca 0.59 -0.38 0.05 0.00 -0.94 0.00 0.00 52.86 52.18 1a5e s ASN 42 Cb -0.27 -1.18 0.54 0.00 -2.00 0.00 0.00 41.25 38.35 1a5e s ASN 42 CO 0.22 0.01 1.66 -1.20 -2.94 0.00 0.00 177.10 174.85 1a5e n SER 43 N -0.83 3.81 -0.14 3.54 7.64 -1.26 -3.98 113.62 122.40 1a5e n SER 43 Ca -0.08 -3.14 0.01 0.00 1.01 0.00 0.00 58.87 56.67 1a5e n SER 43 Cb 0.57 -0.74 0.01 0.00 -1.01 0.00 0.00 64.21 63.04 1a5e n SER 43 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1a5e n TYR 44 N -0.52 0.00 -2.12 1.43 4.01 -1.26 -4.97 117.16 113.73 1a5e n TYR 44 Ca 0.41 -0.12 -0.15 0.00 -0.16 0.00 0.00 57.90 57.89 1a5e n TYR 44 Cb 1.33 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 40.30 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 -0.14 0.09 2.81 2.72 0.00 -1.26 -4.91 105.19 104.49 1a5e n GLY 45 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.48 0.99 0.64 1.61 6.06 -1.26 -4.72 118.95 117.79 1a5e s ARG 46 Ca 0.00 -0.82 -0.10 0.00 -2.50 0.00 0.00 55.73 52.32 1a5e s ARG 46 Cb 0.00 -2.26 0.15 0.00 0.06 0.00 0.00 34.95 32.90 1a5e s ARG 46 CO 0.00 -0.73 0.34 0.54 -2.50 0.00 0.00 175.30 172.95 1a5e n ARG 47 N 4.85 -2.16 -0.87 5.12 3.00 -1.26 -4.52 116.66 120.83 1a5e n ARG 47 Ca -0.08 -0.57 -0.30 0.00 -0.01 0.00 0.00 57.85 56.90 1a5e n ARG 47 Cb 0.45 -0.86 0.17 0.00 0.00 0.00 0.00 32.46 32.21 1a5e n ARG 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1a5e s PRO 48 N -3.32 0.76 0.00 5.56 0.04 -1.26 -2.91 135.00 133.87 1a5e s PRO 48 Ca 0.26 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1a5e s PRO 48 Cb -0.05 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1a5e s PRO 48 CO 0.22 -2.67 0.00 -0.89 0.04 0.00 0.00 177.00 173.69 1a5e n ILE 49 N -4.22 0.00 0.30 0.56 5.41 -1.26 -4.13 119.36 116.02 1a5e n ILE 49 Ca 0.08 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.99 1a5e n ILE 49 Cb 0.54 0.00 0.80 0.00 -0.71 0.00 0.00 39.64 40.27 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 -0.00 0.38 4.15 -1.86 0.74 115.11 118.52 1a5e h GLN 50 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1a5e h GLN 50 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1a5e h GLN 50 CO 0.00 0.00 -0.20 1.55 -1.93 0.00 0.00 178.83 178.25 1a5e n VAL 51 N -3.02 0.00 -0.63 2.39 3.14 -1.14 -4.91 118.33 114.15 1a5e n VAL 51 Ca -0.01 -0.40 -0.31 0.00 -2.96 0.00 0.00 64.34 60.67 1a5e n VAL 51 Cb 0.42 1.03 0.19 0.00 -1.06 0.00 0.00 33.84 34.42 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 -0.79 -1.35 0.24 1.45 0.00 0.25 -4.13 117.12 112.79 1a5e n MET 52 Ca 0.02 -0.36 0.12 0.00 0.00 0.00 0.00 57.70 57.48 1a5e n MET 52 Cb 0.10 -2.04 0.64 0.00 0.00 0.00 0.00 33.22 31.92 1a5e n MET 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 1a5e h MET 53 N -2.13 0.00 -0.13 3.17 4.05 0.11 -3.44 114.93 116.56 1a5e h MET 53 Ca -0.52 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 58.85 1a5e h MET 53 Cb 1.31 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.09 1a5e h MET 53 CO 0.42 0.00 -0.05 -1.33 0.23 0.00 0.00 176.91 176.17 1a5e n MET 54 N -2.47 -1.73 -0.31 0.39 2.81 -1.26 -4.75 117.12 109.79 1a5e n MET 54 Ca -0.02 0.56 0.08 0.00 -1.81 0.00 0.00 57.70 56.51 1a5e n MET 54 Cb 0.26 -4.90 0.21 0.00 -0.71 0.00 0.00 33.22 28.08 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 0.42 4.04 3.02 3.03 0.00 -1.26 -4.71 105.19 109.73 1a5e n GLY 55 Ca -0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 -0.49 0.65 1.61 0.01 -1.26 -4.99 113.70 107.23 1a5e s SER 56 Ca 0.36 -0.52 0.40 0.00 1.31 0.00 0.00 55.95 57.50 1a5e s SER 56 Cb 0.29 1.47 2.21 0.00 0.21 0.00 0.00 66.02 70.20 1a5e s SER 56 CO 0.08 -0.28 2.29 0.00 0.41 0.00 0.00 173.24 175.73 1a5e h ALA 57 N 7.67 1.16 -0.39 1.44 0.00 -1.94 -0.91 119.26 126.30 1a5e h ALA 57 Ca -0.01 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1a5e h ALA 57 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1a5e h ALA 57 CO 0.18 -0.06 0.28 0.00 0.00 0.00 0.00 179.25 179.65 1a5e h ARG 58 N 0.00 0.05 -0.36 0.00 3.08 -1.96 -0.64 114.38 114.55 1a5e h ARG 58 Ca 0.01 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1a5e h ARG 58 Cb 0.12 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1a5e h ARG 58 CO -0.00 0.04 0.08 0.28 -1.07 0.00 0.00 179.97 179.30 1a5e h VAL 59 N 0.06 1.23 0.99 2.04 2.07 -1.54 -2.76 116.25 118.34 1a5e h VAL 59 Ca 0.18 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1a5e h VAL 59 Cb 0.66 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1a5e h VAL 59 CO -0.01 0.26 -0.48 0.00 0.02 0.00 0.00 177.57 177.36 1a5e h ALA 60 N 0.93 -1.36 -1.31 1.67 0.00 -1.28 0.15 119.26 118.07 1a5e h ALA 60 Ca 0.11 -0.29 0.38 0.00 0.00 0.00 0.00 54.91 55.11 1a5e h ALA 60 Cb 0.31 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1a5e h ALA 60 CO 0.00 -1.26 1.00 1.49 0.00 0.00 0.00 179.25 180.48 1a5e h GLU 61 N -1.34 0.00 0.00 0.00 4.81 -1.48 1.95 114.58 118.52 1a5e h GLU 61 Ca -0.14 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1a5e h GLU 61 Cb 1.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1a5e h GLU 61 CO 0.22 0.00 -0.29 1.25 -0.73 0.00 0.00 179.01 179.46 1a5e h LEU 62 N 0.00 0.00 -0.87 1.64 5.85 -1.08 -3.03 115.31 117.81 1a5e h LEU 62 Ca 0.62 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.98 1a5e h LEU 62 Cb 2.62 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.64 1a5e h LEU 62 CO -0.01 0.79 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.54 1a5e h LEU 63 N -1.00 0.53 0.40 2.25 3.38 0.35 -2.51 115.31 118.71 1a5e h LEU 63 Ca -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1a5e h LEU 63 Cb 0.49 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1a5e h LEU 63 CO -0.03 0.79 -0.19 0.25 0.09 0.00 0.00 178.44 179.35 1a5e h LEU 64 N 0.46 -0.46 -2.10 1.67 7.12 0.29 1.00 115.31 123.29 1a5e h LEU 64 Ca 0.06 0.02 0.07 0.00 0.13 0.00 0.00 57.88 58.15 1a5e h LEU 64 Cb 0.71 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 1a5e h LEU 64 CO 0.05 -0.31 0.32 0.17 -0.13 0.00 0.00 178.44 178.55 1a5e h LEU 65 N -0.58 0.00 0.00 2.25 8.10 -1.60 -1.76 115.31 121.73 1a5e h LEU 65 Ca -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.90 1a5e h LEU 65 Cb 0.41 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.63 1a5e h LEU 65 CO 0.09 0.00 -0.21 0.45 -4.11 0.00 0.00 178.44 174.66 1a5e h HIS 66 N 0.00 0.00 0.00 0.17 3.86 -1.05 -3.48 115.15 114.65 1a5e h HIS 66 Ca 0.11 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1a5e h HIS 66 Cb 0.75 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1a5e h HIS 66 CO 0.00 1.08 0.00 0.41 0.86 0.00 0.00 177.93 180.28 1a5e n GLY 67 N 1.58 0.00 0.00 2.45 0.00 0.29 -4.89 105.19 104.62 1a5e n GLY 67 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.32 4.61 0.00 0.19 -3.97 120.51 118.02 1a5e n ALA 68 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1a5e n ALA 68 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 2.37 0.00 0.00 4.07 -1.26 -4.85 120.64 120.97 1a5e n GLU 69 Ca 0.00 -4.49 0.09 0.00 -0.06 0.00 0.00 57.16 52.70 1a5e n GLU 69 Cb 0.00 -2.11 0.43 0.00 -0.06 0.00 0.00 31.44 29.70 1a5e n GLU 69 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1a5e n PRO 70 N 0.75 0.06 0.00 5.31 -0.04 -1.26 -4.34 135.00 135.48 1a5e n PRO 70 Ca 0.29 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1a5e n PRO 70 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.46 0.00 -4.44 3.54 5.15 -1.25 -4.31 115.26 112.49 1a5e n ASN 71 Ca 0.06 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.67 1a5e n ASN 71 Cb 0.21 -0.05 0.06 0.00 -0.53 0.00 0.00 39.78 39.47 1a5e n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a5e n ALA 73 N -2.15 0.00 -3.09 0.00 0.00 -1.26 -4.53 120.51 109.48 1a5e n ALA 73 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 1a5e n ALA 73 Cb 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.78 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 2.76 0.00 0.00 2.15 -1.26 -4.95 116.67 116.37 1a5e s ASP 74 Ca 0.00 -0.48 0.17 0.00 0.43 0.00 0.00 52.55 52.67 1a5e s ASP 74 Cb 0.00 -1.06 0.81 0.00 -0.30 0.00 0.00 42.92 42.37 1a5e s ASP 74 CO 0.00 0.16 1.54 -0.81 -0.17 0.00 0.00 175.17 175.89 1a5e n PRO 75 N 3.36 0.13 -0.07 4.34 -0.04 -1.26 0.12 135.00 141.59 1a5e n PRO 75 Ca -0.19 0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 1a5e n PRO 75 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1a5e n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5e h ALA 76 N 2.71 0.05 -0.08 0.55 0.00 -1.98 -3.40 119.26 117.11 1a5e h ALA 76 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1a5e h ALA 76 Cb 0.23 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a5e h ALA 76 CO 0.00 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.76 1a5e n THR 77 N -4.63 0.73 -2.51 0.00 -2.24 -1.23 -4.91 114.28 99.49 1a5e n THR 77 Ca -0.10 -0.87 -0.11 0.00 -2.27 0.00 0.00 64.05 60.70 1a5e n THR 77 Cb 0.31 0.65 -0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.10 -0.95 -4.56 3.22 4.77 0.33 -0.28 117.00 119.43 1a5e n LEU 78 Ca 0.03 0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.96 1a5e n LEU 78 Cb 0.24 -1.93 -0.05 0.00 -2.33 0.00 0.00 43.42 39.36 1a5e n LEU 78 CO 0.02 -0.09 1.37 -0.89 -1.33 0.00 0.00 177.39 176.47 1a5e s THR 79 N -2.52 3.40 0.77 -5.08 2.01 -1.25 -4.20 115.64 108.77 1a5e s THR 79 Ca 0.03 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 1a5e s THR 79 Cb -0.01 -3.92 0.06 0.00 0.01 0.00 0.00 72.50 68.63 1a5e s THR 79 CO 0.03 -0.87 1.10 -0.13 -0.69 0.00 0.00 174.62 174.06 1a5e s ARG 80 N 7.16 2.22 0.00 4.92 0.52 -1.26 -4.17 118.95 128.34 1a5e s ARG 80 Ca 0.72 1.24 0.15 0.00 -0.52 0.00 0.00 55.73 57.32 1a5e s ARG 80 Cb -0.08 -1.89 0.76 0.00 0.52 0.00 0.00 34.95 34.26 1a5e s ARG 80 CO 0.02 -1.68 1.43 -0.35 0.02 0.00 0.00 175.30 174.74 1a5e n PRO 81 N -3.42 0.20 0.09 3.54 -0.04 -1.26 -2.58 135.00 131.52 1a5e n PRO 81 Ca 0.10 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1a5e n PRO 81 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.56 -0.28 0.52 2.07 -1.90 -3.26 116.25 114.96 1a5e h VAL 82 Ca 0.00 -2.86 -0.12 0.00 0.82 0.00 0.00 66.70 64.54 1a5e h VAL 82 Cb 0.15 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1a5e h VAL 82 CO 0.00 0.83 -0.27 0.45 0.02 0.00 0.00 177.57 178.59 1a5e h HIS 83 N 0.06 0.82 -0.62 1.57 3.86 -1.86 -3.06 115.15 115.91 1a5e h HIS 83 Ca -0.04 -0.24 0.13 0.00 -1.16 0.00 0.00 60.37 59.05 1a5e h HIS 83 Cb 1.59 -0.17 -0.11 0.00 1.06 0.00 0.00 27.41 29.78 1a5e h HIS 83 CO 0.02 0.98 -0.07 -0.44 0.86 0.00 0.00 177.93 179.28 1a5e h ASP 84 N 0.42 -0.42 0.11 2.45 5.19 -1.68 1.24 116.42 123.73 1a5e h ASP 84 Ca 0.05 0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1a5e h ASP 84 Cb 0.84 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1a5e h ASP 84 CO 0.07 -0.16 -0.05 0.00 -3.12 0.00 0.00 179.24 175.98 1a5e h ALA 85 N 1.59 -1.00 -0.14 3.45 0.00 -1.62 -2.77 119.26 118.77 1a5e h ALA 85 Ca 0.31 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1a5e h ALA 85 Cb 0.50 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1a5e h ALA 85 CO -0.58 -0.99 -0.37 0.00 0.00 0.00 0.00 179.25 177.31 1a5e h ALA 86 N -1.93 -0.46 -1.19 0.00 0.00 -1.39 -0.37 119.26 113.91 1a5e h ALA 86 Ca -0.01 0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.25 1a5e h ALA 86 Cb 0.11 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1a5e h ALA 86 CO 0.02 -0.85 1.02 -0.09 0.00 0.00 0.00 179.25 179.36 1a5e h ARG 87 N -0.43 0.00 -0.01 0.00 2.43 0.15 1.11 114.38 117.63 1a5e h ARG 87 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1a5e h ARG 87 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1a5e h ARG 87 CO -0.38 0.00 -0.45 -1.91 -1.51 0.00 0.00 179.97 175.72 1a5e n GLU 88 N -3.76 1.36 -2.31 0.20 4.07 -0.25 -4.96 120.64 114.99 1a5e n GLU 88 Ca 0.26 -0.88 -0.00 0.00 -0.06 0.00 0.00 57.16 56.47 1a5e n GLU 88 Cb 1.40 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1a5e n GLU 88 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a5e n GLY 89 N 1.33 0.72 3.08 8.31 0.00 0.38 -5.01 105.19 114.00 1a5e n GLY 89 Ca 0.08 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.61 3.61 0.03 1.61 2.19 -0.62 -4.85 117.98 117.33 1a5e s PHE 90 Ca 0.00 -2.59 -0.03 0.00 0.33 0.00 0.00 56.93 54.65 1a5e s PHE 90 Cb -0.00 -2.91 -0.27 0.00 -1.31 0.00 0.00 43.02 38.52 1a5e s PHE 90 CO 0.00 -0.94 0.95 1.25 1.83 0.00 0.00 175.22 178.31 1a5e h LEU 91 N 7.85 0.37 -0.87 6.12 6.46 -1.91 -3.30 115.31 130.03 1a5e h LEU 91 Ca -0.11 -0.48 0.21 0.00 -0.12 0.00 0.00 57.88 57.38 1a5e h LEU 91 Cb 1.04 -0.12 -0.12 0.00 -0.73 0.00 0.00 40.66 40.73 1a5e h LEU 91 CO 0.60 1.39 0.37 0.44 -0.62 0.00 0.00 178.44 180.62 1a5e h ASP 92 N 0.07 0.31 -0.62 1.25 5.19 -1.99 0.50 116.42 121.12 1a5e h ASP 92 Ca -0.20 0.15 -0.08 0.00 -0.62 0.00 0.00 57.03 56.28 1a5e h ASP 92 Cb 1.99 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 41.61 1a5e h ASP 92 CO 0.17 0.01 0.10 0.74 -3.12 0.00 0.00 179.24 177.14 1a5e h THR 93 N 0.40 1.26 -0.47 0.35 2.02 -1.88 -2.85 112.91 111.74 1a5e h THR 93 Ca 0.53 -1.02 0.09 0.00 0.77 0.00 0.00 66.41 66.78 1a5e h THR 93 Cb 0.98 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 1a5e h THR 93 CO -0.51 0.38 -0.03 0.25 0.37 0.00 0.00 175.52 175.98 1a5e h LEU 94 N 0.99 -0.25 -0.06 2.58 5.85 -0.10 -1.37 115.31 122.94 1a5e h LEU 94 Ca 0.20 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1a5e h LEU 94 Cb 0.43 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1a5e h LEU 94 CO 0.01 -0.09 -0.11 0.58 -0.34 0.00 0.00 178.44 178.50 1a5e h VAL 95 N 0.09 0.71 -0.38 1.05 2.07 -1.19 -2.52 116.25 116.08 1a5e h VAL 95 Ca 0.24 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.84 1a5e h VAL 95 Cb 0.36 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 1a5e h VAL 95 CO -0.42 0.00 -0.27 0.58 0.02 0.00 0.00 177.57 177.48 1a5e h VAL 96 N -0.15 0.31 0.02 2.57 2.07 -1.15 1.29 116.25 121.21 1a5e h VAL 96 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1a5e h VAL 96 Cb 0.24 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1a5e h VAL 96 CO -0.15 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.25 1a5e h LEU 97 N -0.21 -0.37 -1.80 2.57 4.07 -0.94 -1.98 115.31 116.66 1a5e h LEU 97 Ca 0.18 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 1a5e h LEU 97 Cb 0.50 0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.37 1a5e h LEU 97 CO -0.50 -0.12 -0.08 -0.74 -1.08 0.00 0.00 178.44 175.91 1a5e h HIS 98 N -0.16 0.02 0.00 1.13 2.76 -1.24 0.62 115.15 118.28 1a5e h HIS 98 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1a5e h HIS 98 Cb 0.17 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1a5e h HIS 98 CO -0.35 0.11 0.00 -0.09 -1.30 0.00 0.00 177.93 176.29 1a5e h ARG 99 N 0.02 0.00 0.00 5.26 2.43 0.24 -3.32 114.38 119.01 1a5e h ARG 99 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1a5e h ARG 99 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1a5e h ARG 99 CO 0.01 0.00 -0.51 0.00 -1.51 0.00 0.00 179.97 177.96 1a5e n ALA 100 N -1.88 2.48 0.00 2.80 0.00 -0.59 -5.03 120.51 118.28 1a5e n ALA 100 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1a5e n ALA 100 Cb 0.08 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1a5e n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5e n GLY 101 N 2.40 -0.03 3.23 0.00 0.00 0.21 -5.11 105.19 105.88 1a5e n GLY 101 Ca 0.00 0.74 0.04 0.00 0.00 0.00 0.00 46.02 46.80 1a5e n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5e s ALA 102 N 0.00 -2.83 -0.70 4.61 0.00 -1.19 -3.90 121.76 117.75 1a5e s ALA 102 Ca 0.00 1.75 -0.26 0.00 0.00 0.00 0.00 51.96 53.45 1a5e s ALA 102 Cb 0.00 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 1a5e s ALA 102 CO 0.00 -1.29 2.10 0.50 0.00 0.00 0.00 175.76 177.07 1a5e s ARG 103 N 2.82 2.31 -1.41 0.00 3.52 -1.26 -4.58 118.95 120.34 1a5e s ARG 103 Ca 0.05 0.51 -0.07 0.00 -0.13 0.00 0.00 55.73 56.09 1a5e s ARG 103 Cb -0.11 -4.69 0.03 0.00 -1.56 0.00 0.00 34.95 28.62 1a5e s ARG 103 CO -0.16 -3.34 2.63 -0.11 -0.81 0.00 0.00 175.30 173.51 1a5e n LEU 104 N 14.83 8.29 -2.09 -0.88 0.00 -1.26 -4.07 117.00 131.82 1a5e n LEU 104 Ca 0.34 -4.66 -0.01 0.00 0.00 0.00 0.00 56.01 51.68 1a5e n LEU 104 Cb 0.50 -1.44 0.06 0.00 0.00 0.00 0.00 43.42 42.54 1a5e n LEU 104 CO 0.65 2.06 0.44 -0.67 0.00 0.00 0.00 177.39 179.87 1a5e n ASP 105 N 2.43 -0.74 -1.89 1.96 2.03 -1.26 -2.56 116.55 116.52 1a5e n ASP 105 Ca 0.69 -1.60 0.00 0.00 0.52 0.00 0.00 54.79 54.39 1a5e n ASP 105 Cb 0.25 0.37 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 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 -0.73 0.00 -3.58 5.18 3.14 -1.26 -5.01 118.33 116.07 1a5e n VAL 106 Ca -0.09 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.07 1a5e n VAL 106 Cb 0.68 -0.87 -0.15 0.00 -1.06 0.00 0.00 33.84 32.44 1a5e n VAL 106 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a5e s ARG 107 N -1.75 0.09 0.53 1.45 1.04 -1.26 -4.61 118.95 114.43 1a5e s ARG 107 Ca 0.00 0.14 -0.21 0.00 -1.04 0.00 0.00 55.73 54.63 1a5e s ARG 107 Cb 0.00 -1.30 -0.08 0.00 -2.04 0.00 0.00 34.95 31.53 1a5e s ARG 107 CO 0.00 -0.59 0.89 -3.47 -0.04 0.00 0.00 175.30 172.09 1a5e n ASP 108 N 5.30 0.60 0.19 -2.89 2.03 -1.25 -4.82 116.55 115.71 1a5e n ASP 108 Ca -0.06 0.88 0.16 0.00 0.52 0.00 0.00 54.79 56.29 1a5e n ASP 108 Cb 0.49 -1.33 0.78 0.00 -0.72 0.00 0.00 41.12 40.34 1a5e n ASP 108 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a5e h ALA 109 N 0.84 1.93 0.00 -1.67 0.00 -0.81 0.13 119.26 119.68 1a5e h ALA 109 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1a5e h ALA 109 Cb 1.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1a5e h ALA 109 CO 0.52 -0.26 0.00 0.91 0.00 0.00 0.00 179.25 180.42 1a5e n TRP 110 N -4.06 0.70 -1.68 0.00 5.03 -1.26 -4.83 117.44 111.34 1a5e n TRP 110 Ca 0.02 0.33 0.00 0.00 3.03 0.00 0.00 57.50 60.88 1a5e n TRP 110 Cb 0.30 -1.03 0.00 0.00 -1.03 0.00 0.00 31.31 29.55 1a5e n TRP 110 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1a5e n GLY 111 N -0.87 0.66 2.93 6.99 0.00 0.47 -5.07 105.19 110.30 1a5e n GLY 111 Ca -0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 1a5e n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5e s ARG 112 N -3.22 0.40 1.10 1.61 3.00 -1.25 -5.00 118.95 115.60 1a5e s ARG 112 Ca 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 55.73 55.91 1a5e s ARG 112 Cb 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 34.95 34.78 1a5e s ARG 112 CO 0.00 -0.87 0.36 1.28 0.00 0.00 0.00 175.30 176.07 1a5e n LEU 113 N 5.36 -1.52 0.02 2.53 4.32 -1.26 -3.92 117.00 122.53 1a5e n LEU 113 Ca -0.01 -0.04 -0.06 0.00 -0.02 0.00 0.00 56.01 55.88 1a5e n LEU 113 Cb 0.50 -1.09 0.12 0.00 -1.62 0.00 0.00 43.42 41.33 1a5e n LEU 113 CO 0.01 -3.19 0.57 1.55 -1.22 0.00 0.00 177.39 175.12 1a5e h PRO 114 N -2.13 0.46 0.00 3.23 0.13 -1.92 -2.52 132.00 129.26 1a5e h PRO 114 Ca -0.53 -0.25 -0.12 0.00 -0.87 0.00 0.00 66.00 64.23 1a5e h PRO 114 Cb 1.34 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 1a5e h PRO 114 CO 0.40 0.83 -0.55 -0.24 -0.23 0.00 0.00 178.00 178.21 1a5e h VAL 115 N 0.38 1.18 -0.07 1.56 3.04 -1.85 -2.55 116.25 117.93 1a5e h VAL 115 Ca 0.03 -2.04 -0.22 0.00 -1.01 0.00 0.00 66.70 63.46 1a5e h VAL 115 Cb 0.94 2.17 0.01 0.00 -2.01 0.00 0.00 31.29 32.39 1a5e h VAL 115 CO 0.08 0.54 -0.86 0.44 -1.01 0.00 0.00 177.57 176.76 1a5e h ASP 116 N 0.00 0.75 -0.33 3.17 3.32 -1.85 -3.05 116.42 118.43 1a5e h ASP 116 Ca -0.01 -0.54 -0.12 0.00 0.02 0.00 0.00 57.03 56.38 1a5e h ASP 116 Cb 1.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1a5e h ASP 116 CO 0.07 1.32 -0.28 0.25 -1.72 0.00 0.00 179.24 178.89 1a5e h LEU 117 N 0.39 0.82 -0.31 1.55 6.46 -1.42 -2.65 115.31 120.16 1a5e h LEU 117 Ca -0.07 -0.45 0.04 0.00 -0.12 0.00 0.00 57.88 57.28 1a5e h LEU 117 Cb 1.48 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 41.14 1a5e h LEU 117 CO 0.16 1.10 0.06 0.00 -0.62 0.00 0.00 178.44 179.14 1a5e h ALA 118 N 0.75 0.32 0.00 1.25 0.00 -1.49 0.47 119.26 120.55 1a5e h ALA 118 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1a5e h ALA 118 Cb 0.85 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1a5e h ALA 118 CO 0.07 -0.35 -0.06 0.93 0.00 0.00 0.00 179.25 179.84 1a5e h GLU 119 N 0.17 0.00 0.00 0.00 5.08 -1.52 -0.78 114.58 117.53 1a5e h GLU 119 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1a5e h GLU 119 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1a5e h GLU 119 CO -0.19 0.06 -0.01 1.49 -1.00 0.00 0.00 179.01 179.36 1a5e h GLU 120 N 0.00 0.00 0.00 2.33 4.81 -0.61 -3.43 114.58 117.68 1a5e h GLU 120 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a5e h GLU 120 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1a5e h GLU 120 CO 0.01 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.57 1a5e n LEU 121 N -3.22 0.00 0.00 1.64 4.77 -0.17 -4.90 117.00 115.12 1a5e n LEU 121 Ca -0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1a5e n LEU 121 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1a5e n LEU 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1a5e n GLY 122 N -0.34 0.00 2.09 -0.72 0.00 -1.14 -5.00 105.19 100.09 1a5e n GLY 122 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.82 -0.28 1.61 8.25 -0.31 -4.71 115.22 122.59 1a5e n HIS 123 Ca 0.00 -2.47 0.10 0.00 -0.26 0.00 0.00 57.72 55.09 1a5e n HIS 123 Cb 0.00 -1.02 0.24 0.00 1.12 0.00 0.00 29.99 30.33 1a5e n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5e h ARG 124 N 1.72 0.22 -1.00 -0.41 3.08 -1.91 0.90 114.38 116.98 1a5e h ARG 124 Ca 0.52 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.63 1a5e h ARG 124 Cb 1.44 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.37 1a5e h ARG 124 CO 1.18 0.15 0.64 0.38 -1.07 0.00 0.00 179.97 181.25 1a5e h ASP 125 N 0.23 1.00 0.07 7.04 3.04 -1.93 -1.51 116.42 124.36 1a5e h ASP 125 Ca 0.49 0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 54.30 1a5e h ASP 125 Cb 0.94 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 39.03 1a5e h ASP 125 CO -0.61 0.61 -0.03 0.58 -2.04 0.00 0.00 179.24 177.75 1a5e h VAL 126 N 1.12 1.18 -0.94 4.15 2.07 0.27 -3.20 116.25 120.90 1a5e h VAL 126 Ca 0.45 -1.43 0.27 0.00 0.82 0.00 0.00 66.70 66.81 1a5e h VAL 126 Cb 0.25 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 1a5e h VAL 126 CO -0.19 0.33 0.76 0.00 0.02 0.00 0.00 177.57 178.48 1a5e h ALA 127 N -0.05 2.83 -0.17 1.67 0.00 -0.03 -1.35 119.26 122.15 1a5e h ALA 127 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a5e h ALA 127 Cb 0.61 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a5e h ALA 127 CO 0.02 -1.24 0.00 0.54 0.00 0.00 0.00 179.25 178.57 1a5e n ARG 128 N -3.99 0.00 0.15 0.00 1.74 -0.60 0.14 116.66 114.10 1a5e n ARG 128 Ca 0.20 0.72 0.01 0.00 -0.77 0.00 0.00 57.85 58.01 1a5e n ARG 128 Cb 1.08 -1.47 0.21 0.00 -1.02 0.00 0.00 32.46 31.25 1a5e n ARG 128 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1a5e h TYR 129 N 0.00 0.00 0.00 -1.55 3.20 -1.69 -2.66 116.97 114.27 1a5e h TYR 129 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1a5e h TYR 129 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1a5e h TYR 129 CO -0.33 0.55 0.00 -0.11 -1.64 0.00 0.00 178.16 176.62 1a5e n LEU 130 N -3.65 0.68 -0.00 2.82 7.94 -0.53 -2.38 117.00 121.87 1a5e n LEU 130 Ca -0.01 0.64 -0.22 0.00 -1.11 0.00 0.00 56.01 55.32 1a5e n LEU 130 Cb 0.60 -0.52 -0.14 0.00 0.53 0.00 0.00 43.42 43.89 1a5e n LEU 130 CO 0.40 -0.47 -0.60 -0.09 -1.11 0.00 0.00 177.39 175.52 1a5e h ARG 131 N 0.00 0.23 0.00 1.96 2.43 0.16 -2.08 114.38 117.08 1a5e h ARG 131 Ca 0.00 -0.39 -0.08 0.00 -0.81 0.00 0.00 59.98 58.70 1a5e h ARG 131 Cb 0.44 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1a5e h ARG 131 CO 0.00 1.19 -0.37 0.00 -1.51 0.00 0.00 179.97 179.28 1a5e h ALA 132 N -0.06 1.30 0.00 2.80 0.00 -1.49 -2.77 119.26 119.05 1a5e h ALA 132 Ca -0.36 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 1a5e h ALA 132 Cb 1.82 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1a5e h ALA 132 CO 0.04 0.46 -1.33 0.00 0.00 0.00 0.00 179.25 178.42 1a5e n ALA 133 N -2.43 2.13 -2.99 0.00 0.00 -1.00 -4.38 120.51 111.84 1a5e n ALA 133 Ca -0.02 -0.46 -0.27 0.00 0.00 0.00 0.00 53.44 52.69 1a5e n ALA 133 Cb 0.42 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.33 4.60 0.00 0.00 0.00 -0.78 -4.36 120.51 117.63 1a5e n ALA 134 Ca -0.07 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.67 1a5e n ALA 134 Cb 0.75 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.14 0.63 0.11 0.00 0.00 -1.06 -4.73 105.19 100.00 1a5e n GLY 135 Ca 0.31 0.44 0.06 0.00 0.00 0.00 0.00 46.02 46.83 1a5e n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5e n GLY 136 N 0.00 -0.10 3.57 -0.02 0.00 -1.26 -4.57 105.19 102.81 1a5e n GLY 136 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1a5e n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5e s THR 137 N -1.88 3.56 -0.49 2.61 -4.23 -1.26 -4.95 115.64 109.00 1a5e s THR 137 Ca 0.07 0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 60.84 1a5e s THR 137 Cb 0.09 -4.18 0.07 0.00 1.34 0.00 0.00 72.50 69.82 1a5e s THR 137 CO 0.41 -1.04 0.48 -0.13 -0.54 0.00 0.00 174.62 173.80 1a5e s ARG 138 N 6.17 3.03 0.56 3.99 0.52 -1.26 -4.77 118.95 127.20 1a5e s ARG 138 Ca 0.60 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1a5e s ARG 138 Cb -0.13 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.22 1a5e s ARG 138 CO 0.23 -1.10 0.00 0.41 0.02 0.00 0.00 175.30 174.86 1a5e n GLY 139 N 5.19 0.94 3.76 -3.53 0.00 -1.26 -4.96 105.19 105.33 1a5e n GLY 139 Ca -0.10 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1a5e n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5e s SER 140 N -4.00 5.58 0.00 1.61 0.01 -1.26 -4.89 113.70 110.75 1a5e s SER 140 Ca 0.00 2.58 0.28 0.00 1.31 0.00 0.00 55.95 60.12 1a5e s SER 140 Cb 0.00 -2.62 1.62 0.00 0.21 0.00 0.00 66.02 65.23 1a5e s SER 140 CO 0.00 -1.35 2.05 -3.20 0.41 0.00 0.00 173.24 171.15 1a5e n ASN 141 N -0.87 0.15 -0.99 2.44 5.15 -1.26 -4.80 115.26 115.07 1a5e n ASN 141 Ca 0.09 -1.16 0.11 0.00 -0.60 0.00 0.00 54.58 53.02 1a5e n ASN 141 Cb 0.46 -0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.68 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 -0.83 -2.81 -3.87 1.20 -0.00 -1.26 -4.69 115.22 102.96 1a5e n HIS 142 Ca 0.21 0.96 -0.35 0.00 0.46 0.00 0.00 57.72 59.01 1a5e n HIS 142 Cb 0.12 -1.72 -0.09 0.00 -0.12 0.00 0.00 29.99 28.18 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 -1.87 3.55 -0.45 1.57 0.00 -1.26 -5.03 121.76 118.26 1a5e s ALA 143 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.32 1a5e s ALA 143 Cb 0.00 -2.04 0.18 0.00 0.00 0.00 0.00 23.12 21.27 1a5e s ALA 143 CO 0.00 0.19 0.66 -0.98 0.00 0.00 0.00 175.76 175.63 1a5e s ARG 144 N 0.31 0.92 -0.34 0.00 1.70 -1.26 -5.09 118.95 115.20 1a5e s ARG 144 Ca 0.06 -0.63 0.01 0.00 -0.47 0.00 0.00 55.73 54.70 1a5e s ARG 144 Cb -0.12 0.01 0.19 0.00 -0.57 0.00 0.00 34.95 34.46 1a5e s ARG 144 CO -0.01 -1.25 0.76 -1.50 -1.08 0.00 0.00 175.30 172.23 1a5e s ILE 145 N 1.42 -0.73 -0.75 4.99 2.07 -1.26 -5.09 121.20 121.85 1a5e s ILE 145 Ca 0.22 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.19 1a5e s ILE 145 Cb -0.03 -0.34 -0.15 0.00 0.13 0.00 0.00 42.46 42.07 1a5e s ILE 145 CO -0.06 0.00 2.52 -0.90 -1.91 0.00 0.00 174.94 174.59 1a5e n ASP 146 N 4.71 1.23 -4.66 4.50 5.75 -1.26 -4.81 116.55 122.00 1a5e n ASP 146 Ca 0.08 -0.29 -0.53 0.00 -0.01 0.00 0.00 54.79 54.03 1a5e n ASP 146 Cb 0.57 -1.26 -0.06 0.00 -1.03 0.00 0.00 41.12 39.35 1a5e n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a5e n ALA 147 N 13.29 -0.13 -0.81 2.12 0.00 -1.26 -4.58 120.51 129.13 1a5e n ALA 147 Ca 0.51 0.42 0.03 0.00 0.00 0.00 0.00 53.44 54.40 1a5e n ALA 147 Cb 0.30 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 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 4.48 -0.58 -1.72 0.00 0.00 -1.26 -4.71 120.51 116.71 1a5e n ALA 148 Ca 0.22 0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.40 1a5e n ALA 148 Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 1a5e n ALA 148 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a5e s GLU 149 N -0.34 3.50 0.03 0.00 2.12 -1.26 -4.77 118.70 117.99 1a5e s GLU 149 Ca 0.00 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.44 1a5e s GLU 149 Cb 0.00 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.33 1a5e s GLU 149 CO 0.00 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.48 1a5e n GLY 150 N -1.23 -3.90 3.77 -1.50 0.00 -1.26 -4.73 105.19 96.34 1a5e n GLY 150 Ca 0.08 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.92 4.18 -1.70 1.61 0.04 -1.26 -2.82 135.00 133.12 1a5e s PRO 151 Ca 0.00 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1a5e s PRO 151 Cb 0.00 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1a5e s PRO 151 CO 0.00 -0.20 0.00 0.43 0.04 0.00 0.00 177.00 177.27 1a5e n SER 152 N 0.25 -4.31 -0.59 6.66 7.64 -1.26 -4.69 113.62 117.32 1a5e n SER 152 Ca 0.03 0.40 0.01 0.00 1.01 0.00 0.00 58.87 60.32 1a5e n SER 152 Cb 0.46 -3.89 -0.00 0.00 -1.01 0.00 0.00 64.21 59.78 1a5e n SER 152 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1a5e n ASP 153 N -0.85 -3.55 -3.92 6.43 9.92 -1.13 -4.46 116.55 119.00 1a5e n ASP 153 Ca -0.16 0.05 -0.30 0.00 -0.53 0.00 0.00 54.79 53.85 1a5e n ASP 153 Cb 0.53 -0.14 -0.14 0.00 -0.64 0.00 0.00 41.12 40.74 1a5e n ASP 153 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1a5e s ILE 154 N -0.09 2.49 0.03 0.53 2.07 -1.26 -5.03 121.20 119.94 1a5e s ILE 154 Ca 0.00 -3.35 -0.30 0.00 -1.41 0.00 0.00 60.65 55.59 1a5e s ILE 154 Cb 0.00 -2.72 -0.06 0.00 0.13 0.00 0.00 42.46 39.81 1a5e s ILE 154 CO 0.00 -0.83 1.40 -2.16 -1.91 0.00 0.00 174.94 171.44 1a5e s PRO 155 N -0.35 4.29 0.00 3.50 0.04 -1.26 -5.25 135.00 135.97 1a5e s PRO 155 Ca 0.18 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1a5e s PRO 155 Cb -0.23 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1a5e s PRO 155 CO -0.02 -0.54 0.00 -0.25 0.04 0.00 0.00 177.00 176.23