#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwd n SER 2 N 0.00 1.00 0.13 6.15 2.88 -0.86 -4.83 113.62 118.08 1bwd n SER 2 Ca 0.00 0.81 0.12 0.00 -1.33 0.00 0.00 58.87 58.47 1bwd n SER 2 Cb 0.00 -1.42 0.16 0.00 -0.75 0.00 0.00 64.21 62.20 1bwd n SER 2 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bwd h LEU 3 N 0.51 0.00 -7.99 2.46 3.38 -1.83 -3.41 115.31 108.43 1bwd h LEU 3 Ca -0.49 -0.06 -0.75 0.00 0.09 0.00 0.00 57.88 56.67 1bwd h LEU 3 Cb 1.36 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.88 1bwd h LEU 3 CO 0.51 0.03 0.12 -0.69 0.09 0.00 0.00 178.44 178.50 1bwd s VAL 4 N -3.23 5.22 -0.17 1.22 1.01 -1.26 -4.53 120.40 118.67 1bwd s VAL 4 Ca 0.05 -1.78 -0.03 0.00 0.00 0.00 0.00 61.98 60.22 1bwd s VAL 4 Cb 0.10 -4.48 0.06 0.00 0.00 0.00 0.00 36.38 32.05 1bwd s VAL 4 CO 0.71 -1.07 0.05 -0.55 0.00 0.00 0.00 175.10 174.23 1bwd s SER 5 N 3.04 2.57 -0.29 3.32 0.15 -0.92 -3.66 113.70 117.91 1bwd s SER 5 Ca 0.15 -0.66 -0.14 0.00 0.70 0.00 0.00 55.95 55.99 1bwd s SER 5 Cb -0.18 -0.47 0.12 0.00 -1.71 0.00 0.00 66.02 63.78 1bwd s SER 5 CO -0.03 -0.30 0.76 0.54 1.20 0.00 0.00 173.24 175.41 1bwd s VAL 6 N 1.95 -0.39 -0.36 4.45 0.11 -0.86 -1.90 120.40 123.40 1bwd s VAL 6 Ca 0.01 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 1bwd s VAL 6 Cb -0.16 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.59 1bwd s VAL 6 CO -0.08 0.00 0.34 1.41 -3.33 0.00 0.00 175.10 173.45 1bwd n HIS 7 N 4.67 0.00 -3.82 1.54 8.25 -1.26 -3.58 115.22 121.02 1bwd n HIS 7 Ca -0.16 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.23 1bwd n HIS 7 Cb 0.55 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.65 1bwd n HIS 7 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1bwd s ASN 8 N -1.95 -0.03 0.19 0.41 2.20 -1.26 -0.59 114.94 113.90 1bwd s ASN 8 Ca 0.02 -0.99 0.25 0.00 -0.94 0.00 0.00 52.86 51.20 1bwd s ASN 8 Cb 0.06 0.78 0.90 0.00 -2.00 0.00 0.00 41.25 40.99 1bwd s ASN 8 CO 0.35 -1.53 1.76 -0.62 -2.94 0.00 0.00 177.10 174.12 1bwd n GLU 9 N -0.54 0.20 0.00 3.55 4.71 -1.02 -4.49 120.64 123.06 1bwd n GLU 9 Ca -0.07 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 1bwd n GLU 9 Cb 0.60 -1.78 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1bwd n GLU 9 CO 0.00 0.00 0.00 -2.67 0.09 0.00 0.00 177.13 174.55 1bwd n TRP 10 N -2.14 0.00 -0.68 -0.32 2.14 -1.26 -4.51 117.44 110.66 1bwd n TRP 10 Ca 0.05 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.30 1bwd n TRP 10 Cb 0.35 0.00 0.17 0.00 -0.81 0.00 0.00 31.31 31.02 1bwd n TRP 10 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1bwd n ASP 11 N -1.00 -2.03 -4.59 -0.67 8.00 -1.26 -2.67 116.55 112.33 1bwd n ASP 11 Ca 0.00 0.04 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 1bwd n ASP 11 Cb 0.00 -1.11 -0.03 0.00 -0.02 0.00 0.00 41.12 39.96 1bwd n ASP 11 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1bwd s PRO 12 N -3.71 2.88 -0.03 -0.24 0.02 -1.25 -4.24 135.00 128.43 1bwd s PRO 12 Ca 0.59 1.79 -0.32 0.00 0.02 0.00 0.00 61.00 63.08 1bwd s PRO 12 Cb -0.17 -4.41 -0.10 0.00 0.02 0.00 0.00 34.50 29.84 1bwd s PRO 12 CO 0.66 -2.39 1.96 -0.11 -0.33 0.00 0.00 177.00 176.80 1bwd n LEU 13 N 12.62 3.84 -0.13 -5.54 7.94 0.65 0.00 117.00 136.39 1bwd n LEU 13 Ca 0.31 0.88 -0.18 0.00 -1.11 0.00 0.00 56.01 55.91 1bwd n LEU 13 Cb 0.48 -1.47 -0.11 0.00 0.53 0.00 0.00 43.42 42.84 1bwd n LEU 13 CO 0.68 0.05 -1.33 -0.62 -1.11 0.00 0.00 177.39 175.06 1bwd n GLU 14 N 7.31 0.62 -3.73 1.96 1.02 0.49 -4.58 120.64 123.74 1bwd n GLU 14 Ca 0.22 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.39 1bwd n GLU 14 Cb 0.37 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 1bwd n GLU 14 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1bwd s GLU 15 N -2.50 0.23 0.28 3.49 2.12 -1.11 0.99 118.70 122.19 1bwd s GLU 15 Ca -0.34 0.53 0.04 0.00 0.36 0.00 0.00 54.97 55.56 1bwd s GLU 15 Cb 0.09 -0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.33 1bwd s GLU 15 CO 0.57 -0.15 0.01 0.08 -0.54 0.00 0.00 175.26 175.23 1bwd s VAL 16 N 1.16 1.23 -0.11 3.70 1.01 -0.76 -1.58 120.40 125.06 1bwd s VAL 16 Ca -0.08 -2.04 0.03 0.00 0.00 0.00 0.00 61.98 59.88 1bwd s VAL 16 Cb -0.09 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 1bwd s VAL 16 CO -0.08 -0.20 -0.21 -0.63 0.00 0.00 0.00 175.10 173.98 1bwd s ILE 17 N -3.28 2.33 -0.18 2.22 1.01 -0.24 -1.02 121.20 122.04 1bwd s ILE 17 Ca 0.32 -0.93 -0.16 0.00 0.00 0.00 0.00 60.65 59.88 1bwd s ILE 17 Cb 0.06 -1.91 -0.07 0.00 0.01 0.00 0.00 42.46 40.55 1bwd s ILE 17 CO 0.12 0.55 -0.33 0.52 0.00 0.00 0.00 174.94 175.81 1bwd n VAL 18 N 3.48 1.46 0.00 2.92 0.31 -0.21 -1.28 118.33 125.01 1bwd n VAL 18 Ca -0.19 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1bwd n VAL 18 Cb 0.53 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1bwd n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwd n GLY 19 N 1.56 2.49 4.02 2.92 0.00 -1.26 -4.09 105.19 110.83 1bwd n GLY 19 Ca -0.22 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 1bwd n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bwd s THR 20 N -0.91 2.10 -0.30 2.61 -4.23 -0.80 -4.87 115.64 109.25 1bwd s THR 20 Ca 0.00 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 1bwd s THR 20 Cb 0.00 -2.16 0.02 0.00 1.34 0.00 0.00 72.50 71.70 1bwd s THR 20 CO 0.00 0.00 0.59 0.00 -0.54 0.00 0.00 174.62 174.67 1bwd n ALA 21 N -2.18 2.48 -0.33 3.99 0.00 -1.26 -2.48 120.51 120.72 1bwd n ALA 21 Ca 0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 1bwd n ALA 21 Cb 0.62 -0.08 0.04 0.00 0.00 0.00 0.00 19.45 20.03 1bwd n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bwd h VAL 22 N 0.47 0.06 -0.19 0.00 2.07 -1.94 -2.26 116.25 114.45 1bwd h VAL 22 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1bwd h VAL 22 Cb 0.11 0.06 -0.14 0.00 -1.52 0.00 0.00 31.29 29.80 1bwd h VAL 22 CO 0.00 0.00 -0.63 0.61 0.02 0.00 0.00 177.57 177.57 1bwd n GLY 23 N -1.47 5.11 3.58 2.17 0.00 -1.26 -5.08 105.19 108.25 1bwd n GLY 23 Ca 0.09 -1.61 -0.48 0.00 0.00 0.00 0.00 46.02 44.02 1bwd n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwd n ALA 24 N -0.90 -0.63 -2.79 4.61 0.00 -0.85 -4.74 120.51 115.20 1bwd n ALA 24 Ca 0.24 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 54.03 1bwd n ALA 24 Cb 0.79 -2.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 1bwd n ALA 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1bwd s ARG 25 N -0.46 1.45 -0.26 0.00 1.70 -0.50 -2.12 118.95 118.77 1bwd s ARG 25 Ca 0.72 -1.44 -0.08 0.00 -0.47 0.00 0.00 55.73 54.46 1bwd s ARG 25 Cb -0.83 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 33.92 1bwd s ARG 25 CO 0.53 -0.56 0.10 0.08 -1.08 0.00 0.00 175.30 174.36 1bwd s VAL 26 N -3.98 4.52 1.18 4.99 1.01 0.20 -4.68 120.40 123.64 1bwd s VAL 26 Ca 0.29 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1bwd s VAL 26 Cb 0.02 -3.14 0.29 0.00 0.00 0.00 0.00 36.38 33.55 1bwd s VAL 26 CO 0.11 0.30 1.02 -2.16 0.00 0.00 0.00 175.10 174.37 1bwd s PRO 27 N 1.64 -1.06 0.64 2.72 0.04 -1.26 -0.10 135.00 137.62 1bwd s PRO 27 Ca 0.06 0.69 -0.18 0.00 0.04 0.00 0.00 61.00 61.61 1bwd s PRO 27 Cb -0.15 -1.55 -0.01 0.00 0.04 0.00 0.00 34.50 32.83 1bwd s PRO 27 CO 0.05 -3.78 1.27 -0.08 0.04 0.00 0.00 177.00 174.51 1bwd s THR 28 N -2.51 2.17 0.36 1.26 -1.32 -1.26 -4.27 115.64 110.08 1bwd s THR 28 Ca 0.68 0.11 -0.28 0.00 -1.21 0.00 0.00 61.69 60.99 1bwd s THR 28 Cb -0.23 -3.01 -0.12 0.00 -1.51 0.00 0.00 72.50 67.64 1bwd s THR 28 CO 0.63 -0.03 1.40 0.00 -2.21 0.00 0.00 174.62 174.42 1bwd n ALA 29 N -1.92 1.91 -3.65 11.08 0.00 -1.26 -4.96 120.51 121.71 1bwd n ALA 29 Ca 0.15 0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.90 1bwd n ALA 29 Cb 0.49 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.52 1bwd n ALA 29 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bwd s ASP 30 N -0.21 -0.19 0.06 0.00 -1.08 -1.26 -5.01 116.67 108.98 1bwd s ASP 30 Ca 0.54 0.36 -0.12 0.00 -0.52 0.00 0.00 52.55 52.81 1bwd s ASP 30 Cb -0.51 0.44 -0.03 0.00 -1.46 0.00 0.00 42.92 41.36 1bwd s ASP 30 CO 0.63 -0.06 0.81 -1.14 0.52 0.00 0.00 175.17 175.93 1bwd n ARG 31 N 1.95 -0.17 -0.03 4.34 0.63 -1.26 -0.74 116.66 121.38 1bwd n ARG 31 Ca -0.12 0.80 -0.09 0.00 -0.92 0.00 0.00 57.85 57.52 1bwd n ARG 31 Cb 0.57 -1.18 -0.03 0.00 0.45 0.00 0.00 32.46 32.26 1bwd n ARG 31 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1bwd h SER 32 N 0.00 0.01 -0.64 6.15 4.64 -1.96 0.65 113.55 122.40 1bwd h SER 32 Ca 0.06 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1bwd h SER 32 Cb 0.16 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1bwd h SER 32 CO -0.37 0.03 0.20 1.62 -0.87 0.00 0.00 176.83 177.44 1bwd h VAL 33 N 0.10 1.25 0.82 0.95 3.04 -1.64 0.24 116.25 121.01 1bwd h VAL 33 Ca 0.08 -0.87 -0.04 0.00 -1.01 0.00 0.00 66.70 64.86 1bwd h VAL 33 Cb 0.07 0.53 0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1bwd h VAL 33 CO -0.11 0.34 -0.39 0.15 -1.01 0.00 0.00 177.57 176.55 1bwd h PHE 34 N 0.99 -1.02 -0.35 3.17 3.57 -0.26 0.12 116.94 123.16 1bwd h PHE 34 Ca 0.22 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1bwd h PHE 34 Cb 0.30 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1bwd h PHE 34 CO 0.02 -0.63 0.10 0.00 -2.23 0.00 0.00 178.31 175.56 1bwd h ALA 35 N -1.49 0.39 0.00 2.41 0.00 0.45 0.24 119.26 121.26 1bwd h ALA 35 Ca -0.11 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1bwd h ALA 35 Cb 0.84 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1bwd h ALA 35 CO 0.18 -0.30 -0.87 -0.39 0.00 0.00 0.00 179.25 177.87 1bwd h VAL 36 N 0.23 0.66 0.00 0.00 -1.51 -0.55 -3.42 116.25 111.67 1bwd h VAL 36 Ca 0.16 -2.04 0.00 0.00 -1.23 0.00 0.00 66.70 63.59 1bwd h VAL 36 Cb 0.16 2.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1bwd h VAL 36 CO -0.19 0.38 -0.97 -0.62 -1.23 0.00 0.00 177.57 174.94 1bwd n GLU 37 N -3.06 0.00 0.00 5.19 1.02 0.37 -4.92 120.64 119.23 1bwd n GLU 37 Ca -0.03 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.17 1bwd n GLU 37 Cb 0.76 -0.80 0.04 0.00 -0.02 0.00 0.00 31.44 31.42 1bwd n GLU 37 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1bwd n TYR 38 N -2.66 0.00 -1.21 -0.32 4.01 -0.95 -4.81 117.16 111.21 1bwd n TYR 38 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.46 1bwd n TYR 38 Cb 0.49 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.43 1bwd n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bwd n ALA 39 N 0.53 7.06 -0.62 -0.72 0.00 0.80 -1.96 120.51 125.60 1bwd n ALA 39 Ca 0.06 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1bwd n ALA 39 Cb 0.27 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 16.80 1bwd n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwd n GLY 40 N 3.04 0.80 0.00 0.00 0.00 -1.26 -4.88 105.19 102.89 1bwd n GLY 40 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1bwd n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bwd n ASP 41 N 0.00 4.32 -4.72 1.61 8.00 -0.99 -5.07 116.55 119.70 1bwd n ASP 41 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1bwd n ASP 41 Cb 0.00 0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 1bwd n ASP 41 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1bwd s TYR 42 N -1.94 3.00 0.17 1.24 2.02 -0.83 -5.02 117.35 115.99 1bwd s TYR 42 Ca 0.00 -0.05 -0.08 0.00 -0.37 0.00 0.00 57.07 56.56 1bwd s TYR 42 Cb 0.00 -1.48 0.05 0.00 -0.40 0.00 0.00 41.96 40.13 1bwd s TYR 42 CO 0.00 0.51 1.55 1.49 -1.57 0.00 0.00 175.55 177.53 1bwd h GLU 43 N 2.87 0.90 -2.87 -0.62 4.81 -1.97 -3.44 114.58 114.27 1bwd h GLU 43 Ca -0.47 -0.41 -0.07 0.00 -0.13 0.00 0.00 59.36 58.28 1bwd h GLU 43 Cb 1.19 -0.02 -0.17 0.00 0.63 0.00 0.00 28.75 30.38 1bwd h GLU 43 CO 0.61 1.06 -0.04 -1.54 -0.73 0.00 0.00 179.01 178.36 1bwd s SER 44 N -6.77 -0.36 0.58 1.04 1.04 -1.26 -5.05 113.70 102.92 1bwd s SER 44 Ca -0.10 0.12 0.30 0.00 0.48 0.00 0.00 55.95 56.74 1bwd s SER 44 Cb 0.12 0.45 1.42 0.00 0.10 0.00 0.00 66.02 68.11 1bwd s SER 44 CO 0.86 -0.67 1.80 0.06 0.98 0.00 0.00 173.24 176.28 1bwd h GLN 45 N 2.98 0.00 0.00 4.02 3.07 -1.95 0.36 115.11 123.59 1bwd h GLN 45 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.43 1bwd h GLN 45 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 1bwd h GLN 45 CO 0.42 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.73 1bwd n GLU 46 N -3.78 0.06 0.02 0.06 -0.58 -1.26 -2.72 120.64 112.43 1bwd n GLU 46 Ca 0.14 0.31 0.11 0.00 -0.42 0.00 0.00 57.16 57.30 1bwd n GLU 46 Cb 0.90 -1.61 0.10 0.00 -0.57 0.00 0.00 31.44 30.26 1bwd n GLU 46 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1bwd n GLN 47 N -1.72 0.14 -1.64 3.49 6.02 0.13 -4.95 117.38 118.85 1bwd n GLN 47 Ca 0.03 0.01 -0.46 0.00 -0.01 0.00 0.00 57.00 56.56 1bwd n GLN 47 Cb 0.18 -1.56 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 1bwd n GLN 47 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1bwd n ILE 48 N -1.75 0.72 -1.12 5.09 5.41 -1.10 -4.85 119.36 121.76 1bwd n ILE 48 Ca 0.04 -0.18 -0.33 0.00 1.00 0.00 0.00 62.75 63.28 1bwd n ILE 48 Cb 0.39 -1.29 -0.02 0.00 -0.71 0.00 0.00 39.64 38.01 1bwd n ILE 48 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1bwd n PRO 49 N 2.22 2.80 -1.03 0.38 -0.04 -1.26 -4.87 135.00 133.20 1bwd n PRO 49 Ca 0.14 -1.92 -0.35 0.00 -0.04 0.00 0.00 63.50 61.32 1bwd n PRO 49 Cb 0.28 -2.73 0.08 0.00 -0.04 0.00 0.00 33.50 31.10 1bwd n PRO 49 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1bwd n SER 50 N 4.42 -2.66 0.00 3.54 7.64 -1.26 -4.74 113.62 120.56 1bwd n SER 50 Ca 0.60 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1bwd n SER 50 Cb 0.22 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1bwd n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bwd n GLY 51 N 2.01 2.77 3.74 0.23 0.00 0.85 -4.87 105.19 109.93 1bwd n GLY 51 Ca 0.06 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 1bwd n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwd s ALA 52 N -2.06 3.31 0.63 4.61 0.00 -1.26 0.62 121.76 127.62 1bwd s ALA 52 Ca 0.00 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 1bwd s ALA 52 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1bwd s ALA 52 CO 0.00 0.10 1.21 0.66 0.00 0.00 0.00 175.76 177.73 1bwd n TYR 53 N 1.95 1.64 -1.71 0.00 4.01 -0.90 -4.89 117.16 117.25 1bwd n TYR 53 Ca -0.00 0.42 -0.43 0.00 -0.16 0.00 0.00 57.90 57.73 1bwd n TYR 53 Cb 0.48 -2.24 -0.01 0.00 -0.31 0.00 0.00 39.34 37.26 1bwd n TYR 53 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1bwd n PRO 54 N -1.63 2.26 -0.35 -0.72 -0.04 -1.26 -4.82 135.00 128.45 1bwd n PRO 54 Ca 0.15 0.80 0.14 0.00 -0.04 0.00 0.00 63.50 64.55 1bwd n PRO 54 Cb 0.48 -2.45 0.34 0.00 -0.04 0.00 0.00 33.50 31.83 1bwd n PRO 54 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1bwd h ASP 55 N 3.34 0.76 -0.55 3.54 3.32 -2.00 -0.16 116.42 124.67 1bwd h ASP 55 Ca -0.47 0.11 0.10 0.00 0.02 0.00 0.00 57.03 56.79 1bwd h ASP 55 Cb 1.27 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 1bwd h ASP 55 CO 0.68 0.23 0.10 -0.09 -1.72 0.00 0.00 179.24 178.44 1bwd h ARG 56 N 0.71 0.22 -0.33 3.56 2.43 -1.99 0.49 114.38 119.48 1bwd h ARG 56 Ca 0.60 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.67 1bwd h ARG 56 Cb 1.00 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1bwd h ARG 56 CO -0.41 0.14 -0.13 -0.39 -1.51 0.00 0.00 179.97 177.68 1bwd h VAL 57 N 0.23 1.29 -0.41 0.20 -1.51 -1.38 -1.95 116.25 112.71 1bwd h VAL 57 Ca 0.28 -1.22 -0.04 0.00 -1.23 0.00 0.00 66.70 64.49 1bwd h VAL 57 Cb 0.41 1.39 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 1bwd h VAL 57 CO -0.38 0.40 0.10 -0.07 -1.23 0.00 0.00 177.57 176.38 1bwd h LEU 58 N 0.44 0.62 0.37 4.19 3.38 -1.15 -0.81 115.31 122.35 1bwd h LEU 58 Ca 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1bwd h LEU 58 Cb 0.65 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1bwd h LEU 58 CO 0.04 0.69 -0.39 0.11 0.09 0.00 0.00 178.44 178.98 1bwd h LYS 59 N 0.52 -0.74 -0.61 1.13 6.56 0.03 -0.10 116.57 123.35 1bwd h LYS 59 Ca 0.13 0.05 0.08 0.00 -1.06 0.00 0.00 60.65 59.85 1bwd h LYS 59 Cb 0.31 0.17 -0.06 0.00 -0.57 0.00 0.00 32.23 32.08 1bwd h LYS 59 CO 0.00 -0.49 0.28 0.93 -2.06 0.00 0.00 179.45 178.11 1bwd h GLU 60 N -0.77 0.49 0.00 3.15 5.08 -1.36 -1.73 114.58 119.44 1bwd h GLU 60 Ca -0.05 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1bwd h GLU 60 Cb 0.67 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1bwd h GLU 60 CO -0.06 0.33 -0.50 1.79 -1.00 0.00 0.00 179.01 179.57 1bwd h THR 61 N 0.51 1.08 -0.32 1.13 1.35 -1.06 -1.88 112.91 113.72 1bwd h THR 61 Ca 0.30 -1.90 -0.07 0.00 -0.55 0.00 0.00 66.41 64.19 1bwd h THR 61 Cb 0.29 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.81 1bwd h THR 61 CO -0.25 0.49 -0.11 -0.08 -0.25 0.00 0.00 175.52 175.32 1bwd h GLU 62 N 0.00 0.54 -0.02 4.72 4.57 -0.19 0.73 114.58 124.93 1bwd h GLU 62 Ca -0.00 -0.15 -0.22 0.00 -1.18 0.00 0.00 59.36 57.81 1bwd h GLU 62 Cb 1.07 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1bwd h GLU 62 CO 0.06 0.64 -0.90 1.05 -1.18 0.00 0.00 179.01 178.69 1bwd h GLU 63 N 0.50 0.41 -0.61 1.92 4.11 -1.07 -0.89 114.58 118.95 1bwd h GLU 63 Ca 0.09 -0.42 0.01 0.00 0.07 0.00 0.00 59.36 59.11 1bwd h GLU 63 Cb 0.49 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1bwd h GLU 63 CO 0.03 1.08 0.40 0.93 0.07 0.00 0.00 179.01 181.52 1bwd h GLU 64 N 0.24 0.80 -0.87 1.06 5.08 -0.82 -0.87 114.58 119.20 1bwd h GLU 64 Ca -0.07 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1bwd h GLU 64 Cb 1.52 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 1bwd h GLU 64 CO 0.15 0.53 0.57 -0.07 -1.00 0.00 0.00 179.01 179.19 1bwd h LEU 65 N 0.82 0.93 -1.00 1.33 4.07 0.74 -1.57 115.31 120.62 1bwd h LEU 65 Ca 0.22 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.14 1bwd h LEU 65 Cb -0.09 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.40 1bwd h LEU 65 CO -0.05 0.63 0.32 -0.74 -1.08 0.00 0.00 178.44 177.52 1bwd h HIS 66 N 1.07 1.04 -0.48 1.13 2.76 0.16 -2.68 115.15 118.16 1bwd h HIS 66 Ca 0.35 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.38 1bwd h HIS 66 Cb 0.04 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 1bwd h HIS 66 CO -0.00 0.77 -0.02 0.28 -1.30 0.00 0.00 177.93 177.66 1bwd h VAL 67 N 1.02 1.26 0.26 5.26 2.07 -0.48 -0.87 116.25 124.78 1bwd h VAL 67 Ca 0.25 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1bwd h VAL 67 Cb 0.14 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1bwd h VAL 67 CO -0.03 0.38 -0.30 0.25 0.02 0.00 0.00 177.57 177.90 1bwd h LEU 68 N 0.72 -0.81 -0.99 2.57 6.46 -1.02 -0.77 115.31 121.48 1bwd h LEU 68 Ca 0.13 0.08 0.13 0.00 -0.12 0.00 0.00 57.88 58.10 1bwd h LEU 68 Cb 0.54 0.28 -0.09 0.00 -0.73 0.00 0.00 40.66 40.67 1bwd h LEU 68 CO 0.03 -0.42 0.61 0.00 -0.62 0.00 0.00 178.44 178.04 1bwd h ALA 69 N -0.00 1.49 0.13 1.25 0.00 -1.40 -1.25 119.26 119.47 1bwd h ALA 69 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1bwd h ALA 69 Cb 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bwd h ALA 69 CO -0.08 0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.29 1bwd h ALA 70 N 1.54 -0.17 -0.46 0.00 0.00 -0.64 -1.85 119.26 117.69 1bwd h ALA 70 Ca 0.50 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 1bwd h ALA 70 Cb 0.52 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1bwd h ALA 70 CO -0.28 -0.54 -0.11 0.93 0.00 0.00 0.00 179.25 179.25 1bwd h GLU 71 N -0.27 0.83 -0.46 0.00 4.39 -0.72 -0.99 114.58 117.36 1bwd h GLU 71 Ca -0.02 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 1bwd h GLU 71 Cb 0.22 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1bwd h GLU 71 CO 0.03 0.91 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.67 1bwd h LEU 72 N 0.75 0.77 -0.21 1.33 3.38 -1.22 -1.03 115.31 119.08 1bwd h LEU 72 Ca 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1bwd h LEU 72 Cb 0.61 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1bwd h LEU 72 CO 0.04 0.86 0.13 0.74 0.09 0.00 0.00 178.44 180.30 1bwd h THR 73 N 0.73 1.07 -1.00 0.22 2.02 -1.07 -0.93 112.91 113.95 1bwd h THR 73 Ca 0.13 -0.16 0.14 0.00 0.77 0.00 0.00 66.41 67.30 1bwd h THR 73 Cb 0.51 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 67.63 1bwd h THR 73 CO 0.03 0.07 0.62 0.11 0.37 0.00 0.00 175.52 176.72 1bwd h LYS 74 N 0.27 0.87 0.00 6.66 1.57 -0.62 0.26 116.57 125.58 1bwd h LYS 74 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1bwd h LYS 74 Cb -0.00 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1bwd h LYS 74 CO -0.02 0.58 0.00 1.28 -0.57 0.00 0.00 179.45 180.72 1bwd n LEU 75 N -4.66 0.00 0.00 2.94 7.99 -0.44 -4.88 117.00 117.96 1bwd n LEU 75 Ca 0.20 0.43 0.00 0.00 -0.01 0.00 0.00 56.01 56.63 1bwd n LEU 75 Cb 0.43 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1bwd n LEU 75 CO 0.26 -0.17 0.00 0.61 -1.51 0.00 0.00 177.39 176.58 1bwd n GLY 76 N 0.30 0.79 3.80 -0.72 0.00 0.91 -5.08 105.19 105.19 1bwd n GLY 76 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1bwd n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwd s VAL 77 N -2.02 4.40 -0.45 1.61 1.01 -0.42 -4.95 120.40 119.58 1bwd s VAL 77 Ca 0.00 1.53 -0.23 0.00 0.00 0.00 0.00 61.98 63.28 1bwd s VAL 77 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1bwd s VAL 77 CO 0.00 0.11 0.77 -0.89 0.00 0.00 0.00 175.10 175.10 1bwd s THR 78 N -1.64 4.66 -0.15 3.92 2.01 0.28 -4.05 115.64 120.67 1bwd s THR 78 Ca 0.48 0.39 -0.18 0.00 0.31 0.00 0.00 61.69 62.69 1bwd s THR 78 Cb -0.17 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1bwd s THR 78 CO 0.21 -0.72 0.46 -0.69 -0.69 0.00 0.00 174.62 173.20 1bwd s VAL 79 N 3.26 5.18 0.05 3.82 1.01 -1.26 -1.83 120.40 130.64 1bwd s VAL 79 Ca 0.29 0.89 0.08 0.00 0.00 0.00 0.00 61.98 63.24 1bwd s VAL 79 Cb -0.12 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1bwd s VAL 79 CO 0.22 0.29 -0.21 -0.13 0.00 0.00 0.00 175.10 175.28 1bwd s ARG 80 N 0.91 1.93 0.25 2.72 1.81 -0.18 -5.00 118.95 121.39 1bwd s ARG 80 Ca 0.24 -1.06 0.12 0.00 -1.72 0.00 0.00 55.73 53.31 1bwd s ARG 80 Cb -0.15 -2.11 -0.05 0.00 -0.45 0.00 0.00 34.95 32.19 1bwd s ARG 80 CO 0.09 0.52 -0.21 1.03 -0.68 0.00 0.00 175.30 176.05 1bwd s ARG 81 N -1.50 1.62 1.02 3.54 0.52 -1.26 -1.04 118.95 121.85 1bwd s ARG 81 Ca 0.14 -1.69 -0.11 0.00 -0.52 0.00 0.00 55.73 53.55 1bwd s ARG 81 Cb -0.10 -1.78 0.19 0.00 0.52 0.00 0.00 34.95 33.78 1bwd s ARG 81 CO 0.05 0.35 1.02 -2.30 0.02 0.00 0.00 175.30 174.44 1bwd n PRO 82 N -0.34 -1.24 -2.27 3.54 -0.02 -1.26 -4.96 135.00 128.44 1bwd n PRO 82 Ca -0.07 -0.31 -0.26 0.00 -2.02 0.00 0.00 63.50 60.84 1bwd n PRO 82 Cb 0.59 -2.25 0.11 0.00 -0.02 0.00 0.00 33.50 31.93 1bwd n PRO 82 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bwd s GLY 83 N -2.49 1.74 0.36 -1.23 0.00 0.11 -5.02 107.32 100.80 1bwd s GLY 83 Ca 0.67 -1.28 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 1bwd s GLY 83 CO 0.61 -0.73 1.00 2.56 0.00 0.00 0.00 173.10 176.55 1bwd s PRO 84 N -5.37 4.37 -0.22 2.90 0.04 -1.26 -4.86 135.00 130.60 1bwd s PRO 84 Ca 0.66 1.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.93 1bwd s PRO 84 Cb -0.07 -2.66 0.06 0.00 0.04 0.00 0.00 34.50 31.87 1bwd s PRO 84 CO 0.47 0.06 0.58 0.50 0.04 0.00 0.00 177.00 178.64 1bwd s ARG 85 N -2.30 0.68 -0.15 4.56 3.52 -1.26 -4.82 118.95 119.18 1bwd s ARG 85 Ca 0.54 0.81 -0.23 0.00 -0.13 0.00 0.00 55.73 56.72 1bwd s ARG 85 Cb -0.20 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.49 1bwd s ARG 85 CO 0.26 -0.08 0.73 0.34 -0.81 0.00 0.00 175.30 175.73 1bwd s ASP 86 N 0.31 6.88 0.00 -2.12 -1.08 -1.26 -4.89 116.67 114.51 1bwd s ASP 86 Ca -0.00 1.07 0.26 0.00 -0.52 0.00 0.00 52.55 53.36 1bwd s ASP 86 Cb -0.04 -2.41 0.73 0.00 -1.46 0.00 0.00 42.92 39.74 1bwd s ASP 86 CO 0.01 -0.27 1.56 1.41 0.52 0.00 0.00 175.17 178.40 1bwd n HIS 87 N 4.71 0.00 0.78 -5.34 8.25 -1.26 -3.71 115.22 118.65 1bwd n HIS 87 Ca 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.56 1bwd n HIS 87 Cb 0.50 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.46 1bwd n HIS 87 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1bwd n SER 88 N 0.06 0.85 -4.73 0.41 3.41 -1.26 0.12 113.62 112.48 1bwd n SER 88 Ca 0.15 -0.83 -0.42 0.00 -0.26 0.00 0.00 58.87 57.52 1bwd n SER 88 Cb 0.40 1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 65.44 1bwd n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bwd s ALA 89 N -2.88 3.81 0.44 7.33 0.00 -1.24 -4.78 121.76 124.44 1bwd s ALA 89 Ca 0.05 1.49 -0.24 0.00 0.00 0.00 0.00 51.96 53.27 1bwd s ALA 89 Cb 0.14 -3.65 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1bwd s ALA 89 CO 0.79 -0.87 1.17 -0.51 0.00 0.00 0.00 175.76 176.34 1bwd s LEU 90 N 0.60 4.07 -0.06 0.00 1.43 -1.26 -4.10 118.68 119.35 1bwd s LEU 90 Ca 0.69 2.32 0.06 0.00 -1.03 0.00 0.00 54.13 56.17 1bwd s LEU 90 Cb -0.47 -4.17 -0.01 0.00 0.03 0.00 0.00 46.19 41.57 1bwd s LEU 90 CO 0.37 -0.85 -0.25 0.27 0.23 0.00 0.00 176.35 176.12 1bwd s ILE 91 N -1.51 2.04 -0.12 -0.59 -4.36 0.17 -4.98 121.20 111.85 1bwd s ILE 91 Ca 0.62 -1.05 -0.05 0.00 -0.26 0.00 0.00 60.65 59.91 1bwd s ILE 91 Cb -0.29 -1.73 0.06 0.00 1.25 0.00 0.00 42.46 41.75 1bwd s ILE 91 CO 0.36 0.56 0.25 -0.75 0.24 0.00 0.00 174.94 175.61 1bwd s LYS 92 N -0.10 0.15 0.47 0.37 2.36 -1.26 -1.36 119.74 120.37 1bwd s LYS 92 Ca -0.05 0.70 0.07 0.00 -2.55 0.00 0.00 55.97 54.13 1bwd s LYS 92 Cb -0.14 -0.06 -0.00 0.00 -1.05 0.00 0.00 37.83 36.57 1bwd s LYS 92 CO 0.04 -0.26 0.35 0.95 1.55 0.00 0.00 175.35 177.98 1bwd s THR 93 N 2.20 2.15 0.38 3.43 -4.23 -0.75 -5.02 115.64 113.80 1bwd s THR 93 Ca -0.01 -1.48 0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1bwd s THR 93 Cb -0.12 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.35 1bwd s THR 93 CO -0.08 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.38 1bwd h PRO 94 N 0.99 0.66 0.08 3.99 0.11 -2.01 -2.95 132.00 132.88 1bwd h PRO 94 Ca -0.40 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.41 1bwd h PRO 94 Cb 1.28 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1bwd h PRO 94 CO 0.60 0.45 -1.24 -0.44 -0.21 0.00 0.00 178.00 177.16 1bwd h ASP 95 N 0.68 0.26 -3.14 -2.05 3.32 -1.95 -3.49 116.42 110.05 1bwd h ASP 95 Ca 0.18 -0.30 -0.15 0.00 0.02 0.00 0.00 57.03 56.78 1bwd h ASP 95 Cb -0.06 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1bwd h ASP 95 CO -0.04 1.24 0.01 -2.67 -1.72 0.00 0.00 179.24 176.06 1bwd n TRP 96 N -3.44 -1.56 -3.78 4.55 4.27 -1.12 -5.03 117.44 111.33 1bwd n TRP 96 Ca -0.07 -1.72 -0.13 0.00 -3.89 0.00 0.00 57.50 51.69 1bwd n TRP 96 Cb 1.00 0.55 -0.10 0.00 -1.36 0.00 0.00 31.31 31.40 1bwd n TRP 96 CO 0.00 0.00 0.00 -2.00 -2.29 0.00 0.00 177.69 173.40 1bwd s GLU 97 N -2.42 0.45 0.21 -2.67 2.12 -1.26 -1.81 118.70 113.32 1bwd s GLU 97 Ca 0.19 0.12 -0.17 0.00 0.36 0.00 0.00 54.97 55.47 1bwd s GLU 97 Cb -0.02 0.21 0.06 0.00 0.26 0.00 0.00 34.13 34.64 1bwd s GLU 97 CO 0.14 -0.09 0.82 0.25 -0.54 0.00 0.00 175.26 175.84 1bwd n THR 98 N 2.25 0.00 -4.07 -1.70 -2.24 -0.47 -5.01 114.28 103.04 1bwd n THR 98 Ca -0.17 -0.60 -0.27 0.00 -2.27 0.00 0.00 64.05 60.75 1bwd n THR 98 Cb 0.57 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1bwd n THR 98 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1bwd s ASP 99 N -2.99 4.52 0.63 3.42 -4.77 -1.26 0.44 116.67 116.66 1bwd s ASP 99 Ca 0.18 -1.26 -0.00 0.00 -3.30 0.00 0.00 52.55 48.17 1bwd s ASP 99 Cb -0.03 0.19 0.10 0.00 -1.09 0.00 0.00 42.92 42.09 1bwd s ASP 99 CO 0.06 -0.92 0.69 0.61 0.70 0.00 0.00 175.17 176.31 1bwd n GLY 100 N -1.56 0.65 0.00 2.12 0.00 0.32 -4.36 105.19 102.36 1bwd n GLY 100 Ca -0.04 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1bwd n GLY 100 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bwd n PHE 101 N -2.40 0.00 -3.73 1.61 7.35 -1.25 -4.41 117.46 114.62 1bwd n PHE 101 Ca 0.11 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.77 1bwd n PHE 101 Cb 0.40 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.22 1bwd n PHE 101 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 1bwd s HIS 102 N 0.20 -0.13 -0.34 -5.13 -3.43 -1.26 -1.40 115.29 103.80 1bwd s HIS 102 Ca 0.00 -0.15 0.06 0.00 -0.80 0.00 0.00 55.06 54.17 1bwd s HIS 102 Cb 0.00 0.63 0.45 0.00 -1.43 0.00 0.00 32.58 32.22 1bwd s HIS 102 CO 0.00 -0.76 1.16 -0.25 -2.00 0.00 0.00 174.74 172.90 1bwd n ASP 103 N -0.47 4.84 0.03 7.38 8.00 -1.26 -4.70 116.55 130.38 1bwd n ASP 103 Ca -0.06 -3.73 0.11 0.00 0.71 0.00 0.00 54.79 51.82 1bwd n ASP 103 Cb 0.61 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 41.25 1bwd n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bwd n TYR 104 N -0.63 0.35 -3.70 1.24 9.36 -1.04 -1.90 117.16 120.84 1bwd n TYR 104 Ca 0.42 0.10 -0.28 0.00 3.32 0.00 0.00 57.90 61.47 1bwd n TYR 104 Cb 0.86 -0.61 -0.11 0.00 -0.63 0.00 0.00 39.34 38.85 1bwd n TYR 104 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bwd h PRO 106 N 5.54 0.00 -0.75 0.00 0.11 -1.81 -3.00 132.00 132.10 1bwd h PRO 106 Ca 0.19 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.36 1bwd h PRO 106 Cb 0.82 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.87 1bwd h PRO 106 CO 0.58 0.01 0.43 -0.09 -0.21 0.00 0.00 178.00 178.72 1bwd h ARG 107 N 0.00 0.75 -0.94 1.05 9.65 -1.56 -3.36 114.38 119.96 1bwd h ARG 107 Ca -0.00 -0.05 0.23 0.00 -1.10 0.00 0.00 59.98 59.06 1bwd h ARG 107 Cb 0.05 -0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 28.40 1bwd h ARG 107 CO 0.00 0.50 0.63 -0.44 2.80 0.00 0.00 179.97 183.46 1bwd h ASP 108 N 0.77 0.36 0.00 -3.80 5.19 -1.80 -3.25 116.42 113.89 1bwd h ASP 108 Ca 0.34 0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.73 1bwd h ASP 108 Cb 0.23 -0.02 -0.12 0.00 0.18 0.00 0.00 39.33 39.60 1bwd h ASP 108 CO -0.20 0.12 -0.57 0.61 -3.12 0.00 0.00 179.24 176.08 1bwd n GLY 109 N -1.54 0.71 2.77 2.75 0.00 -1.26 0.35 105.19 108.96 1bwd n GLY 109 Ca 0.21 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1bwd n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bwd s LEU 110 N 0.00 0.95 -0.18 0.99 1.02 -1.26 -2.45 118.68 117.75 1bwd s LEU 110 Ca 0.10 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.78 1bwd s LEU 110 Cb 0.11 -0.56 0.02 0.00 0.02 0.00 0.00 46.19 45.78 1bwd s LEU 110 CO -0.05 -0.24 -0.19 -0.22 0.02 0.00 0.00 176.35 175.67 1bwd s LEU 111 N 1.89 2.19 -0.41 1.79 2.96 -0.64 -4.79 118.68 121.67 1bwd s LEU 111 Ca 0.02 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 1bwd s LEU 111 Cb -0.15 -1.50 0.05 0.00 0.50 0.00 0.00 46.19 45.10 1bwd s LEU 111 CO -0.07 0.00 0.26 -0.94 -1.32 0.00 0.00 176.35 174.28 1bwd s SER 112 N 1.29 5.79 -0.06 3.68 1.04 -1.26 -0.05 113.70 124.13 1bwd s SER 112 Ca 0.05 -1.23 0.17 0.00 0.48 0.00 0.00 55.95 55.42 1bwd s SER 112 Cb -0.13 -2.04 -0.26 0.00 0.10 0.00 0.00 66.02 63.68 1bwd s SER 112 CO -0.12 -0.49 0.31 0.52 0.98 0.00 0.00 173.24 174.44 1bwd n VAL 113 N 5.01 0.27 0.00 5.02 0.31 -0.91 -4.88 118.33 123.15 1bwd n VAL 113 Ca -0.11 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1bwd n VAL 113 Cb 0.45 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1bwd n VAL 113 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bwd n GLY 114 N 1.60 -1.07 0.43 2.92 0.00 -1.23 -4.54 105.19 103.31 1bwd n GLY 114 Ca -0.09 0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.48 1bwd n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bwd n GLN 115 N -0.14 0.83 -4.04 1.61 3.00 -1.24 -2.04 117.38 115.36 1bwd n GLN 115 Ca 0.00 -1.26 -0.33 0.00 -0.01 0.00 0.00 57.00 55.41 1bwd n GLN 115 Cb 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 30.24 28.97 1bwd n GLN 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1bwd s THR 116 N -0.87 4.90 -0.13 5.09 2.01 -1.26 -0.27 115.64 125.12 1bwd s THR 116 Ca 0.13 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1bwd s THR 116 Cb 0.09 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 1bwd s THR 116 CO 0.13 0.32 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.56 1bwd s ILE 117 N -1.25 2.41 -0.22 1.82 1.01 -0.47 -2.15 121.20 122.35 1bwd s ILE 117 Ca 0.25 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1bwd s ILE 117 Cb -0.12 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1bwd s ILE 117 CO 0.16 0.54 -0.07 -0.63 0.00 0.00 0.00 174.94 174.94 1bwd s ILE 118 N 0.57 3.05 -0.52 2.92 1.01 0.93 -0.66 121.20 128.49 1bwd s ILE 118 Ca -0.11 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 1bwd s ILE 118 Cb -0.16 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.92 1bwd s ILE 118 CO 0.04 0.38 1.23 -1.61 0.00 0.00 0.00 174.94 174.98 1bwd s GLU 119 N 1.41 3.57 0.73 2.79 2.02 0.30 -1.62 118.70 127.91 1bwd s GLU 119 Ca 0.04 0.48 -0.11 0.00 0.02 0.00 0.00 54.97 55.41 1bwd s GLU 119 Cb -0.15 -3.99 0.03 0.00 0.10 0.00 0.00 34.13 30.12 1bwd s GLU 119 CO -0.05 -1.59 1.07 0.95 0.02 0.00 0.00 175.26 175.66 1bwd s THR 120 N 4.98 3.70 -1.19 3.63 -4.23 -1.03 -0.65 115.64 120.85 1bwd s THR 120 Ca 0.48 0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 61.42 1bwd s THR 120 Cb -0.08 -3.28 0.19 0.00 1.34 0.00 0.00 72.50 70.66 1bwd s THR 120 CO 0.29 -0.72 1.38 -2.16 -0.54 0.00 0.00 174.62 172.86 1bwd s PRO 121 N -5.07 4.11 0.33 3.99 0.04 -1.22 -4.78 135.00 132.39 1bwd s PRO 121 Ca 0.59 -2.69 -0.26 0.00 0.04 0.00 0.00 61.00 58.68 1bwd s PRO 121 Cb -0.14 -4.97 -0.14 0.00 0.04 0.00 0.00 34.50 29.29 1bwd s PRO 121 CO 0.55 -1.68 0.80 -0.12 0.04 0.00 0.00 177.00 176.59 1bwd n MET 122 N 5.14 0.90 0.21 4.56 1.56 -1.24 -0.87 117.12 127.39 1bwd n MET 122 Ca 0.34 0.32 0.09 0.00 -0.27 0.00 0.00 57.70 58.19 1bwd n MET 122 Cb 0.42 -1.63 0.36 0.00 2.15 0.00 0.00 33.22 34.52 1bwd n MET 122 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1bwd h ALA 123 N 1.43 0.95 -2.95 -5.12 0.00 -1.87 -3.44 119.26 108.26 1bwd h ALA 123 Ca -0.38 -0.22 -0.61 0.00 0.00 0.00 0.00 54.91 53.70 1bwd h ALA 123 Cb 1.37 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 1bwd h ALA 123 CO 0.57 0.31 -0.30 -1.17 0.00 0.00 0.00 179.25 178.65 1bwd s LEU 124 N -6.63 4.15 0.40 0.00 2.96 -1.26 -4.91 118.68 113.40 1bwd s LEU 124 Ca 0.02 0.40 0.14 0.00 -0.22 0.00 0.00 54.13 54.47 1bwd s LEU 124 Cb 0.09 -2.38 0.99 0.00 0.50 0.00 0.00 46.19 45.39 1bwd s LEU 124 CO 0.66 -0.02 1.88 0.03 -1.32 0.00 0.00 176.35 177.57 1bwd h ARG 125 N 7.34 0.48 -0.03 1.98 3.08 -1.94 0.03 114.38 125.32 1bwd h ARG 125 Ca -0.37 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.66 1bwd h ARG 125 Cb 1.16 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 1bwd h ARG 125 CO 0.70 0.32 0.04 0.66 -1.07 0.00 0.00 179.97 180.63 1bwd h SER 126 N 0.50 0.00 -0.48 7.04 4.64 -1.95 -1.11 113.55 122.19 1bwd h SER 126 Ca 0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.74 1bwd h SER 126 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1bwd h SER 126 CO -0.17 0.00 0.01 0.54 -0.87 0.00 0.00 176.83 176.34 1bwd n ARG 127 N -3.74 4.16 -0.30 4.77 1.74 -0.00 -3.81 116.66 119.48 1bwd n ARG 127 Ca -0.02 -3.06 0.08 0.00 -0.77 0.00 0.00 57.85 54.08 1bwd n ARG 127 Cb 0.13 -2.12 0.30 0.00 -1.02 0.00 0.00 32.46 29.75 1bwd n ARG 127 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1bwd h PHE 128 N 3.17 0.97 -1.08 -1.55 3.57 -1.22 -2.37 116.94 118.43 1bwd h PHE 128 Ca 0.02 0.03 -0.56 0.00 3.53 0.00 0.00 57.97 60.98 1bwd h PHE 128 Cb 1.82 -0.31 -0.42 0.00 2.79 0.00 0.00 35.95 39.83 1bwd h PHE 128 CO 0.91 0.42 -0.79 1.28 -2.23 0.00 0.00 178.31 177.89 1bwd n LEU 129 N -4.55 4.71 -0.28 0.59 4.77 -1.26 -4.90 117.00 116.08 1bwd n LEU 129 Ca 0.16 -4.90 0.10 0.00 -0.03 0.00 0.00 56.01 51.34 1bwd n LEU 129 Cb 0.34 -0.36 0.24 0.00 -2.33 0.00 0.00 43.42 41.30 1bwd n LEU 129 CO 0.30 2.13 0.91 -0.08 -1.33 0.00 0.00 177.39 179.32 1bwd h GLU 130 N 2.37 0.18 0.00 3.23 4.57 -1.74 -1.77 114.58 121.42 1bwd h GLU 130 Ca 0.32 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1bwd h GLU 130 Cb 1.26 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1bwd h GLU 130 CO 0.78 0.12 0.00 -1.13 -1.18 0.00 0.00 179.01 177.60 1bwd n SER 131 N -5.25 0.00 -0.29 1.04 3.41 -1.26 -3.88 113.62 107.39 1bwd n SER 131 Ca 0.18 -0.62 -0.02 0.00 -0.26 0.00 0.00 58.87 58.15 1bwd n SER 131 Cb 0.59 -0.09 0.14 0.00 -0.26 0.00 0.00 64.21 64.59 1bwd n SER 131 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1bwd h LEU 132 N 0.00 1.03 -1.87 1.04 5.85 -1.74 -1.32 115.31 118.29 1bwd h LEU 132 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1bwd h LEU 132 Cb 0.08 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1bwd h LEU 132 CO 0.00 0.81 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 1bwd h ALA 133 N 1.36 1.00 -0.25 1.25 0.00 -1.80 -2.93 119.26 117.89 1bwd h ALA 133 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1bwd h ALA 133 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bwd h ALA 133 CO -0.05 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.86 1bwd n TYR 134 N -2.74 0.56 -0.05 0.00 4.02 -0.51 0.05 117.16 118.49 1bwd n TYR 134 Ca -0.01 -0.68 -0.08 0.00 -0.01 0.00 0.00 57.90 57.12 1bwd n TYR 134 Cb 0.14 -0.15 -0.01 0.00 -0.02 0.00 0.00 39.34 39.30 1bwd n TYR 134 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1bwd h LYS 135 N 1.58 -0.16 -0.48 -0.72 1.63 -1.36 -1.46 116.57 115.60 1bwd h LYS 135 Ca 0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1bwd h LYS 135 Cb 1.00 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 1bwd h LYS 135 CO 0.08 -0.10 0.30 -0.44 -3.45 0.00 0.00 179.45 175.84 1bwd h ASP 136 N -0.16 0.57 0.35 4.20 3.32 -1.87 -0.54 116.42 122.28 1bwd h ASP 136 Ca 0.14 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1bwd h ASP 136 Cb 0.37 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1bwd h ASP 136 CO -0.34 0.45 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.18 1bwd h LEU 137 N 0.65 -1.04 -0.76 1.55 4.07 -1.85 -2.32 115.31 115.61 1bwd h LEU 137 Ca 0.17 0.09 0.17 0.00 0.08 0.00 0.00 57.88 58.39 1bwd h LEU 137 Cb -0.03 0.35 -0.11 0.00 1.08 0.00 0.00 40.66 41.95 1bwd h LEU 137 CO -0.03 -0.52 0.21 -0.07 -1.08 0.00 0.00 178.44 176.95 1bwd h LEU 138 N -0.76 0.06 -0.87 1.67 4.07 -0.91 0.89 115.31 119.47 1bwd h LEU 138 Ca -0.02 0.15 0.07 0.00 0.08 0.00 0.00 57.88 58.15 1bwd h LEU 138 Cb 0.69 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.55 1bwd h LEU 138 CO -0.08 -0.03 0.53 -0.07 -1.08 0.00 0.00 178.44 177.71 1bwd h LEU 139 N 0.30 0.82 0.09 1.67 4.07 -0.78 0.73 115.31 122.21 1bwd h LEU 139 Ca 0.43 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.41 1bwd h LEU 139 Cb 0.75 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1bwd h LEU 139 CO -0.51 0.51 -0.04 -0.08 -1.08 0.00 0.00 178.44 177.24 1bwd h GLU 140 N 0.95 -0.12 -0.38 1.13 4.81 -0.34 -0.23 114.58 120.41 1bwd h GLU 140 Ca 0.39 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.70 1bwd h GLU 140 Cb 0.22 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.55 1bwd h GLU 140 CO -0.19 0.24 -0.11 1.88 -0.73 0.00 0.00 179.01 180.10 1bwd h TYR 141 N -0.49 -0.25 0.10 0.92 0.05 -0.66 -1.41 116.97 115.24 1bwd h TYR 141 Ca -0.01 0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1bwd h TYR 141 Cb 0.41 0.17 -0.05 0.00 1.01 0.00 0.00 36.73 38.27 1bwd h TYR 141 CO 0.05 -0.18 -0.46 0.35 -1.05 0.00 0.00 178.16 176.86 1bwd h PHE 142 N -0.02 -1.31 -0.07 4.88 3.57 0.58 -2.46 116.94 122.10 1bwd h PHE 142 Ca 0.18 0.04 -0.63 0.00 3.53 0.00 0.00 57.97 61.09 1bwd h PHE 142 Cb 0.30 0.56 0.03 0.00 2.79 0.00 0.00 35.95 39.63 1bwd h PHE 142 CO -0.35 -0.55 2.28 0.00 -2.23 0.00 0.00 178.31 177.45 1bwd n ALA 143 N -2.88 3.44 0.00 2.41 0.00 -0.11 -1.56 120.51 121.81 1bwd n ALA 143 Ca -0.07 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1bwd n ALA 143 Cb 0.39 -3.61 0.00 0.00 0.00 0.00 0.00 19.45 16.23 1bwd n ALA 143 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bwd n SER 144 N 8.05 0.00 0.00 0.00 3.41 -1.15 -4.83 113.62 119.10 1bwd n SER 144 Ca 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1bwd n SER 144 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1bwd n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwd n GLY 145 N 0.00 0.83 3.73 5.00 0.00 -0.60 -2.03 105.19 112.12 1bwd n GLY 145 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1bwd n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwd s SER 146 N -2.22 7.14 0.22 1.61 0.01 -0.94 -4.77 113.70 114.75 1bwd s SER 146 Ca 0.00 2.16 -0.30 0.00 1.31 0.00 0.00 55.95 59.13 1bwd s SER 146 Cb 0.00 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.54 1bwd s SER 146 CO 0.00 -0.34 1.13 -0.60 0.41 0.00 0.00 173.24 173.84 1bwd s ARG 147 N -0.13 4.58 -0.31 12.44 3.52 0.63 -4.46 118.95 135.23 1bwd s ARG 147 Ca 0.52 1.79 0.01 0.00 -0.13 0.00 0.00 55.73 57.93 1bwd s ARG 147 Cb -0.31 -3.23 0.09 0.00 -1.56 0.00 0.00 34.95 29.94 1bwd s ARG 147 CO 0.35 0.08 0.05 -0.46 -0.81 0.00 0.00 175.30 174.52 1bwd s TRP 148 N -0.53 2.59 0.32 5.12 -0.00 -1.26 -1.37 118.94 123.81 1bwd s TRP 148 Ca 0.48 -2.20 0.09 0.00 -0.00 0.00 0.00 56.10 54.47 1bwd s TRP 148 Cb -0.31 -2.14 -0.04 0.00 -0.00 0.00 0.00 33.47 30.98 1bwd s TRP 148 CO 0.38 -0.88 0.10 -0.51 -0.00 0.00 0.00 176.95 176.03 1bwd s LEU 149 N 1.31 3.23 0.05 5.86 1.02 0.16 -4.99 118.68 125.32 1bwd s LEU 149 Ca 0.07 -0.76 0.02 0.00 0.02 0.00 0.00 54.13 53.48 1bwd s LEU 149 Cb -0.18 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1bwd s LEU 149 CO -0.15 -0.22 -0.07 -0.55 0.02 0.00 0.00 176.35 175.37 1bwd s SER 150 N -3.80 0.80 0.43 2.29 0.15 -1.26 -0.53 113.70 111.78 1bwd s SER 150 Ca 0.36 -0.60 -0.10 0.00 0.70 0.00 0.00 55.95 56.31 1bwd s SER 150 Cb -0.03 0.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1bwd s SER 150 CO 0.22 -0.25 0.79 0.00 1.20 0.00 0.00 173.24 175.19 1bwd s ALA 151 N -1.70 3.34 0.24 5.45 0.00 0.18 -4.89 121.76 124.38 1bwd s ALA 151 Ca -0.08 -0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 1bwd s ALA 151 Cb -0.08 -2.72 -0.14 0.00 0.00 0.00 0.00 23.12 20.18 1bwd s ALA 151 CO -0.01 -0.10 1.21 -2.30 0.00 0.00 0.00 175.76 174.56 1bwd n PRO 152 N -1.53 1.58 -2.28 0.00 -0.02 -1.26 -4.80 135.00 126.69 1bwd n PRO 152 Ca 0.02 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1bwd n PRO 152 Cb 0.54 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1bwd n PRO 152 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1bwd s LYS 153 N -0.84 4.24 0.80 -0.52 -0.14 -1.26 -4.79 119.74 117.23 1bwd s LYS 153 Ca 0.66 1.86 -0.13 0.00 -1.36 0.00 0.00 55.97 57.00 1bwd s LYS 153 Cb -0.72 -3.78 0.08 0.00 -1.68 0.00 0.00 37.83 31.73 1bwd s LYS 153 CO 0.54 -0.70 1.18 -1.25 -0.76 0.00 0.00 175.35 174.36 1bwd s PRO 154 N 3.36 1.73 -0.07 -1.68 0.04 -1.26 -4.98 135.00 132.14 1bwd s PRO 154 Ca 0.61 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 63.05 1bwd s PRO 154 Cb -0.27 -1.80 -0.20 0.00 0.04 0.00 0.00 34.50 32.28 1bwd s PRO 154 CO 0.21 -2.12 0.95 -0.09 0.04 0.00 0.00 177.00 175.99 1bwd h ARG 155 N -0.95 -0.07 -5.10 4.56 2.43 -1.96 -3.48 114.38 109.81 1bwd h ARG 155 Ca -0.46 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.41 1bwd h ARG 155 Cb 1.28 0.02 0.13 0.00 -0.42 0.00 0.00 29.97 30.98 1bwd h ARG 155 CO 0.47 0.54 -0.62 -0.11 -1.51 0.00 0.00 179.97 178.74 1bwd n LEU 156 N -4.80 -3.51 -4.83 3.80 7.94 -1.26 -4.96 117.00 109.38 1bwd n LEU 156 Ca -0.08 -0.50 -0.29 0.00 -1.11 0.00 0.00 56.01 54.03 1bwd n LEU 156 Cb 0.32 -2.70 0.11 0.00 0.53 0.00 0.00 43.42 41.68 1bwd n LEU 156 CO 0.30 0.42 0.74 0.42 -1.11 0.00 0.00 177.39 178.16 1bwd s THR 157 N -3.29 2.34 0.42 1.96 -4.23 -1.26 -4.92 115.64 106.66 1bwd s THR 157 Ca 0.21 0.11 0.21 0.00 -1.18 0.00 0.00 61.69 61.03 1bwd s THR 157 Cb -0.09 -2.96 0.41 0.00 1.34 0.00 0.00 72.50 71.20 1bwd s THR 157 CO 0.62 -0.14 1.78 0.44 -0.54 0.00 0.00 174.62 176.78 1bwd h ASP 158 N -1.22 0.38 0.06 3.99 5.19 -1.96 -1.37 116.42 121.50 1bwd h ASP 158 Ca -0.48 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1bwd h ASP 158 Cb 1.31 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1bwd h ASP 158 CO 0.63 0.08 0.00 -0.90 -3.12 0.00 0.00 179.24 175.93 1bwd n ASP 159 N -4.56 0.15 -0.38 6.45 5.75 -1.26 -2.34 116.55 120.36 1bwd n ASP 159 Ca 0.25 0.56 0.14 0.00 -0.01 0.00 0.00 54.79 55.73 1bwd n ASP 159 Cb 0.91 -0.59 0.49 0.00 -1.03 0.00 0.00 41.12 40.90 1bwd n ASP 159 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1bwd n SER 160 N -1.69 1.27 -4.38 -1.12 7.64 -0.52 -4.69 113.62 110.13 1bwd n SER 160 Ca 0.00 -1.25 -0.23 0.00 1.01 0.00 0.00 58.87 58.40 1bwd n SER 160 Cb 0.03 0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.16 1bwd n SER 160 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1bwd s TYR 161 N -2.19 2.02 -0.44 1.43 2.02 -0.99 -0.89 117.35 118.31 1bwd s TYR 161 Ca 0.33 -0.42 0.07 0.00 -0.37 0.00 0.00 57.07 56.68 1bwd s TYR 161 Cb 0.20 -0.98 0.25 0.00 -0.40 0.00 0.00 41.96 41.03 1bwd s TYR 161 CO 0.40 0.43 0.73 0.00 -1.57 0.00 0.00 175.55 175.54 1bwd n ALA 162 N 0.14 0.36 -0.32 3.71 0.00 0.14 -4.78 120.51 119.77 1bwd n ALA 162 Ca -0.12 -2.32 0.01 0.00 0.00 0.00 0.00 53.44 51.01 1bwd n ALA 162 Cb 0.57 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 19.01 1bwd n ALA 162 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1bwd h PRO 163 N 3.96 -0.02 0.00 0.00 0.11 -1.90 0.29 132.00 134.43 1bwd h PRO 163 Ca -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1bwd h PRO 163 Cb 0.96 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1bwd h PRO 163 CO 0.39 -0.02 -0.09 1.96 -0.21 0.00 0.00 178.00 180.03 1bwd h GLN 164 N -0.03 0.00 -7.21 1.05 7.50 -1.96 -3.46 115.11 111.02 1bwd h GLN 164 Ca 0.38 0.00 -0.44 0.00 0.50 0.00 0.00 58.65 59.09 1bwd h GLN 164 Cb 0.62 0.00 0.20 0.00 0.05 0.00 0.00 27.48 28.35 1bwd h GLN 164 CO -0.90 0.09 0.06 0.00 -1.50 0.00 0.00 178.83 176.57 1bwd s ALA 165 N -4.04 -0.14 0.76 3.87 0.00 0.09 -4.99 121.76 117.31 1bwd s ALA 165 Ca -0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 1bwd s ALA 165 Cb 0.12 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 20.09 1bwd s ALA 165 CO 0.55 -3.61 1.10 -2.14 0.00 0.00 0.00 175.76 171.67 1bwd s PRO 166 N -4.61 2.26 0.42 0.00 0.02 -1.26 -4.82 135.00 127.01 1bwd s PRO 166 Ca 0.68 1.25 -0.26 0.00 0.02 0.00 0.00 61.00 62.68 1bwd s PRO 166 Cb -0.23 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 1bwd s PRO 166 CO 0.63 -1.65 1.42 0.00 -0.33 0.00 0.00 177.00 177.06 1bwd s ALA 167 N -2.76 3.35 0.00 -1.55 0.00 -1.26 -2.63 121.76 116.91 1bwd s ALA 167 Ca 0.63 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1bwd s ALA 167 Cb -0.18 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1bwd s ALA 167 CO 0.53 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1bwd n GLY 168 N 0.57 0.56 0.63 0.00 0.00 -1.26 -4.87 105.19 100.83 1bwd n GLY 168 Ca 0.03 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.59 1bwd n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bwd n GLU 169 N -2.77 0.00 -0.12 1.61 1.02 -1.08 -4.39 120.64 114.91 1bwd n GLU 169 Ca 0.00 -0.68 0.10 0.00 -0.02 0.00 0.00 57.16 56.57 1bwd n GLU 169 Cb 0.00 -0.16 0.16 0.00 -0.02 0.00 0.00 31.44 31.42 1bwd n GLU 169 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bwd n ARG 170 N 0.04 2.21 -3.90 3.49 1.74 -1.26 -4.71 116.66 114.28 1bwd n ARG 170 Ca -0.02 -2.03 -0.35 0.00 -0.77 0.00 0.00 57.85 54.69 1bwd n ARG 170 Cb 0.66 -1.44 -0.13 0.00 -1.02 0.00 0.00 32.46 30.53 1bwd n ARG 170 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1bwd s LEU 171 N -1.47 4.24 1.19 0.55 2.96 -1.26 0.26 118.68 125.15 1bwd s LEU 171 Ca 0.31 -1.52 -0.19 0.00 -0.22 0.00 0.00 54.13 52.51 1bwd s LEU 171 Cb 0.19 -1.72 0.28 0.00 0.50 0.00 0.00 46.19 45.44 1bwd s LEU 171 CO 0.27 -0.33 1.13 0.42 -1.32 0.00 0.00 176.35 176.52 1bwd s THR 172 N 1.19 1.62 -0.73 3.68 -4.23 -0.07 -4.89 115.64 112.21 1bwd s THR 172 Ca -0.01 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 1bwd s THR 172 Cb -0.20 -2.53 0.28 0.00 1.34 0.00 0.00 72.50 71.39 1bwd s THR 172 CO -0.03 0.00 1.00 -0.67 -0.54 0.00 0.00 174.62 174.38 1bwd n ASP 173 N -4.70 4.65 -0.07 3.99 2.03 -1.26 -4.81 116.55 116.37 1bwd n ASP 173 Ca 0.14 -3.51 -0.05 0.00 0.52 0.00 0.00 54.79 51.89 1bwd n ASP 173 Cb 0.60 -0.79 -0.16 0.00 -0.72 0.00 0.00 41.12 40.05 1bwd n ASP 173 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1bwd n GLU 174 N 0.63 0.68 -3.71 -0.67 -0.58 -1.26 -4.95 120.64 110.79 1bwd n GLU 174 Ca 0.31 -0.04 -0.10 0.00 -0.42 0.00 0.00 57.16 56.91 1bwd n GLU 174 Cb 0.38 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.66 1bwd n GLU 174 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1bwd s GLU 175 N -2.76 1.03 -0.31 3.49 -1.05 -1.26 -5.10 118.70 112.74 1bwd s GLU 175 Ca -0.09 -0.80 -0.28 0.00 -0.15 0.00 0.00 54.97 53.66 1bwd s GLU 175 Cb 0.08 0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 34.15 1bwd s GLU 175 CO 0.85 -0.39 2.29 -2.30 0.95 0.00 0.00 175.26 176.66 1bwd n PRO 176 N -0.19 1.63 -4.31 -4.83 -0.02 -1.26 -4.58 135.00 121.43 1bwd n PRO 176 Ca -0.15 0.35 -0.18 0.00 -2.02 0.00 0.00 63.50 61.50 1bwd n PRO 176 Cb 0.63 -3.27 -0.15 0.00 -0.02 0.00 0.00 33.50 30.69 1bwd n PRO 176 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1bwd s VAL 177 N 9.57 0.63 -0.30 -1.45 -7.23 -1.26 -4.78 120.40 115.58 1bwd s VAL 177 Ca 1.01 -0.33 -0.21 0.00 -1.81 0.00 0.00 61.98 60.63 1bwd s VAL 177 Cb -0.31 -0.53 0.20 0.00 0.56 0.00 0.00 36.38 36.30 1bwd s VAL 177 CO 0.33 0.18 1.35 0.72 -0.31 0.00 0.00 175.10 177.36 1bwd s PHE 178 N -0.14 -0.09 0.32 2.82 -0.71 -0.05 -1.48 117.98 118.66 1bwd s PHE 178 Ca 0.02 0.19 -0.23 0.00 -1.04 0.00 0.00 56.93 55.87 1bwd s PHE 178 Cb -0.04 0.30 -0.10 0.00 -1.21 0.00 0.00 43.02 41.97 1bwd s PHE 178 CO -0.00 -0.04 0.88 -0.51 -1.34 0.00 0.00 175.22 174.21 1bwd s ASP 179 N 0.48 7.18 0.41 1.98 1.01 -0.89 -3.42 116.67 123.43 1bwd s ASP 179 Ca 0.00 1.68 0.13 0.00 0.71 0.00 0.00 52.55 55.07 1bwd s ASP 179 Cb -0.04 -2.52 0.96 0.00 1.01 0.00 0.00 42.92 42.33 1bwd s ASP 179 CO -0.13 -0.10 1.94 0.00 0.21 0.00 0.00 175.17 177.09 1bwd h ALA 180 N 2.98 1.98 0.00 5.23 0.00 -0.34 -1.83 119.26 127.28 1bwd h ALA 180 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bwd h ALA 180 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1bwd h ALA 180 CO 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1bwd n ALA 181 N -2.50 1.72 1.06 0.00 0.00 -1.20 -0.75 120.51 118.85 1bwd n ALA 181 Ca 0.13 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1bwd n ALA 181 Cb 0.42 -1.08 0.09 0.00 0.00 0.00 0.00 19.45 18.88 1bwd n ALA 181 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bwd n ASN 182 N -0.92 1.77 -4.49 0.00 4.13 -0.69 -2.72 115.26 112.35 1bwd n ASN 182 Ca 0.04 -1.35 -0.32 0.00 1.68 0.00 0.00 54.58 54.62 1bwd n ASN 182 Cb 0.02 0.40 -0.13 0.00 -1.54 0.00 0.00 39.78 38.53 1bwd n ASN 182 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1bwd s VAL 183 N -2.49 3.06 0.01 2.41 1.01 0.07 -0.74 120.40 123.73 1bwd s VAL 183 Ca 0.20 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1bwd s VAL 183 Cb 0.18 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1bwd s VAL 183 CO 0.57 0.50 -0.17 -0.22 0.00 0.00 0.00 175.10 175.78 1bwd s LEU 184 N -1.00 2.10 -0.22 3.92 2.96 -0.70 -4.97 118.68 120.78 1bwd s LEU 184 Ca 0.13 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1bwd s LEU 184 Cb -0.11 -0.81 0.04 0.00 0.50 0.00 0.00 46.19 45.82 1bwd s LEU 184 CO 0.03 0.15 -0.12 0.00 -1.32 0.00 0.00 176.35 175.09 1bwd s ARG 185 N -0.78 2.23 -0.72 1.98 1.70 -1.26 -1.15 118.95 120.96 1bwd s ARG 185 Ca 0.05 -1.00 0.03 0.00 -0.47 0.00 0.00 55.73 54.35 1bwd s ARG 185 Cb -0.07 -2.59 0.32 0.00 -0.57 0.00 0.00 34.95 32.04 1bwd s ARG 185 CO 0.00 -0.44 1.16 1.19 -1.08 0.00 0.00 175.30 176.13 1bwd n PHE 186 N 4.60 3.64 0.00 5.89 3.01 -0.61 -2.42 117.46 131.56 1bwd n PHE 186 Ca -0.15 -3.61 0.00 0.00 1.01 0.00 0.00 57.45 54.69 1bwd n PHE 186 Cb 0.46 -0.70 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1bwd n PHE 186 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bwd n GLY 187 N -0.02 2.80 0.30 1.37 0.00 0.24 -2.76 105.19 107.11 1bwd n GLY 187 Ca 0.35 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1bwd n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bwd h THR 188 N 0.00 0.56 -3.45 2.61 2.02 -1.77 -3.41 112.91 109.48 1bwd h THR 188 Ca 0.00 -0.15 -0.54 0.00 0.77 0.00 0.00 66.41 66.49 1bwd h THR 188 Cb 0.00 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 1bwd h THR 188 CO 0.00 0.08 0.24 -1.81 0.37 0.00 0.00 175.52 174.40 1bwd s ASP 189 N -5.27 7.28 -0.16 4.18 1.01 -1.11 -1.33 116.67 121.27 1bwd s ASP 189 Ca -0.12 1.54 0.01 0.00 0.71 0.00 0.00 52.55 54.68 1bwd s ASP 189 Cb 0.23 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.67 1bwd s ASP 189 CO 0.77 -0.09 -0.17 -0.76 0.21 0.00 0.00 175.17 175.13 1bwd s LEU 190 N 0.34 1.92 -0.11 1.23 1.43 -0.49 -1.57 118.68 121.43 1bwd s LEU 190 Ca 0.43 -0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1bwd s LEU 190 Cb -0.21 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1bwd s LEU 190 CO 0.25 -0.02 0.42 -0.22 0.23 0.00 0.00 176.35 177.01 1bwd s LEU 191 N 1.34 4.30 -0.22 1.79 2.96 -0.30 0.81 118.68 129.36 1bwd s LEU 191 Ca 0.04 0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1bwd s LEU 191 Cb -0.13 -2.59 0.06 0.00 0.50 0.00 0.00 46.19 44.02 1bwd s LEU 191 CO -0.11 0.07 -0.02 -0.47 -1.32 0.00 0.00 176.35 174.51 1bwd s TYR 192 N 0.33 1.85 -0.42 5.38 6.14 0.22 -1.72 117.35 129.12 1bwd s TYR 192 Ca 0.23 -1.40 -0.29 0.00 0.64 0.00 0.00 57.07 56.25 1bwd s TYR 192 Cb -0.15 -1.36 0.02 0.00 0.42 0.00 0.00 41.96 40.89 1bwd s TYR 192 CO 0.09 -0.71 1.28 -1.17 0.64 0.00 0.00 175.55 175.69 1bwd s LEU 193 N 1.58 3.64 -0.33 6.97 2.96 0.08 -0.47 118.68 133.11 1bwd s LEU 193 Ca -0.04 0.73 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 1bwd s LEU 193 Cb -0.18 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 42.98 1bwd s LEU 193 CO -0.07 -1.31 1.03 0.54 -1.32 0.00 0.00 176.35 175.22 1bwd s VAL 194 N 4.90 4.53 0.00 1.68 0.11 0.11 -4.75 120.40 126.98 1bwd s VAL 194 Ca 0.55 1.60 0.00 0.00 -2.93 0.00 0.00 61.98 61.20 1bwd s VAL 194 Cb -0.11 -4.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.35 1bwd s VAL 194 CO 0.31 -0.49 0.00 -1.54 -3.33 0.00 0.00 175.10 170.05 1bwd n SER 195 N 6.84 0.00 0.04 3.54 3.41 -0.52 -4.62 113.62 122.32 1bwd n SER 195 Ca 0.11 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.79 1bwd n SER 195 Cb 0.47 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.75 1bwd n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bwd n ASP 196 N 0.00 0.21 -2.31 4.04 8.00 0.33 -2.78 116.55 124.03 1bwd n ASP 196 Ca 0.00 0.56 -0.18 0.00 0.71 0.00 0.00 54.79 55.88 1bwd n ASP 196 Cb 0.00 -0.60 0.02 0.00 -0.02 0.00 0.00 41.12 40.52 1bwd n ASP 196 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bwd n SER 197 N -1.74 3.92 0.00 -2.24 3.41 -1.26 -4.56 113.62 111.15 1bwd n SER 197 Ca 0.02 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.35 1bwd n SER 197 Cb 0.15 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1bwd n SER 197 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwd n GLY 198 N -0.62 1.21 4.01 5.00 0.00 -1.12 -2.09 105.19 111.58 1bwd n GLY 198 Ca 0.33 0.51 -0.22 0.00 0.00 0.00 0.00 46.02 46.64 1bwd n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwd s ASN 199 N 0.00 4.55 0.21 1.61 4.22 -0.55 -1.44 114.94 123.54 1bwd s ASN 199 Ca 0.00 -0.56 -0.09 0.00 -2.14 0.00 0.00 52.86 50.07 1bwd s ASN 199 Cb 0.00 0.15 0.22 0.00 1.28 0.00 0.00 41.25 42.90 1bwd s ASN 199 CO 0.00 -1.73 1.85 -0.33 -2.04 0.00 0.00 177.10 174.85 1bwd h GLU 200 N -0.32 0.85 -0.42 3.55 4.39 -1.93 -1.73 114.58 118.96 1bwd h GLU 200 Ca -0.34 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.28 1bwd h GLU 200 Cb 1.27 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1bwd h GLU 200 CO 0.40 0.56 0.11 -0.07 -1.16 0.00 0.00 179.01 178.85 1bwd h LEU 201 N 0.87 0.57 -0.42 1.33 3.38 -1.91 0.13 115.31 119.26 1bwd h LEU 201 Ca 0.30 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1bwd h LEU 201 Cb 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1bwd h LEU 201 CO -0.12 0.56 0.26 1.23 0.09 0.00 0.00 178.44 180.45 1bwd h GLY 202 N 0.82 0.59 1.66 0.83 0.00 -1.49 0.30 103.07 105.77 1bwd h GLY 202 Ca 0.14 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 1bwd h GLY 202 CO -0.01 0.18 -0.60 0.00 0.00 0.00 0.00 176.54 176.12 1bwd h ALA 203 N 1.17 0.78 0.22 3.60 0.00 -1.20 1.00 119.26 124.84 1bwd h ALA 203 Ca 0.16 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1bwd h ALA 203 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1bwd h ALA 203 CO -0.06 0.72 -0.47 -0.22 0.00 0.00 0.00 179.25 179.22 1bwd h LYS 204 N 0.26 -0.74 -0.59 0.00 3.64 -0.18 -0.67 116.57 118.29 1bwd h LYS 204 Ca -0.00 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1bwd h LYS 204 Cb 1.12 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 1bwd h LYS 204 CO 0.10 -0.50 0.32 2.35 -2.27 0.00 0.00 179.45 179.46 1bwd h TRP 205 N -0.77 0.60 -0.56 1.91 7.01 -0.13 -2.59 115.95 121.42 1bwd h TRP 205 Ca -0.01 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.11 1bwd h TRP 205 Cb 0.75 -0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 27.55 1bwd h TRP 205 CO -0.36 0.30 0.15 1.25 -2.79 0.00 0.00 178.44 177.00 1bwd h LEU 206 N 0.62 0.08 -0.47 0.65 5.85 0.19 -2.42 115.31 119.81 1bwd h LEU 206 Ca 0.25 0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.15 1bwd h LEU 206 Cb 0.12 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 1bwd h LEU 206 CO -0.15 0.06 -0.00 1.56 -0.34 0.00 0.00 178.44 179.57 1bwd h GLN 207 N 0.30 0.11 -0.52 1.25 1.08 -0.74 -2.73 115.11 113.85 1bwd h GLN 207 Ca 0.29 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 1bwd h GLN 207 Cb 0.39 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1bwd h GLN 207 CO -0.34 0.07 0.20 1.03 -0.95 0.00 0.00 178.83 178.84 1bwd h SER 208 N 0.11 0.69 0.33 1.46 0.87 -1.36 -0.64 113.55 115.01 1bwd h SER 208 Ca 0.24 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.58 1bwd h SER 208 Cb 0.35 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1bwd h SER 208 CO -0.39 0.63 -0.52 0.00 -0.53 0.00 0.00 176.83 176.02 1bwd h ALA 209 N 1.47 0.98 0.00 6.23 0.00 -1.20 -3.27 119.26 123.47 1bwd h ALA 209 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1bwd h ALA 209 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bwd h ALA 209 CO -0.02 0.67 -1.84 1.33 0.00 0.00 0.00 179.25 179.39 1bwd n VAL 210 N -3.93 0.06 0.00 0.00 0.24 -1.07 -5.10 118.33 108.52 1bwd n VAL 210 Ca -0.02 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1bwd n VAL 210 Cb 0.55 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1bwd n VAL 210 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bwd n GLY 211 N 1.27 -1.66 0.54 7.63 0.00 -0.26 -4.61 105.19 108.09 1bwd n GLY 211 Ca -0.03 -1.53 0.36 0.00 0.00 0.00 0.00 46.02 44.81 1bwd n GLY 211 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1bwd h ASP 212 N 0.00 0.01 -0.35 1.61 2.03 -1.93 -2.68 116.42 115.11 1bwd h ASP 212 Ca 0.00 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.35 1bwd h ASP 212 Cb 0.00 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 1bwd h ASP 212 CO 0.00 0.00 0.08 0.74 -1.03 0.00 0.00 179.24 179.03 1bwd h THR 213 N 0.01 0.84 -3.25 1.15 2.02 -1.97 -3.43 112.91 108.29 1bwd h THR 213 Ca 0.58 -0.07 -0.50 0.00 0.77 0.00 0.00 66.41 67.19 1bwd h THR 213 Cb 2.32 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1bwd h THR 213 CO -0.02 0.04 -0.08 -0.31 0.37 0.00 0.00 175.52 175.52 1bwd s TYR 214 N -6.17 3.49 -0.15 3.16 1.51 -1.01 -4.88 117.35 113.31 1bwd s TYR 214 Ca -0.13 0.66 0.00 0.00 -1.01 0.00 0.00 57.07 56.59 1bwd s TYR 214 Cb 0.12 -2.14 0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1bwd s TYR 214 CO 0.71 0.06 -0.11 -0.08 -1.11 0.00 0.00 175.55 175.02 1bwd s THR 215 N -2.26 1.39 -0.07 -0.71 -1.32 -0.44 -4.87 115.64 107.37 1bwd s THR 215 Ca 0.45 -0.60 -0.25 0.00 -1.21 0.00 0.00 61.69 60.07 1bwd s THR 215 Cb -0.10 -1.38 -0.03 0.00 -1.51 0.00 0.00 72.50 69.47 1bwd s THR 215 CO 0.33 0.35 0.79 -0.69 -2.21 0.00 0.00 174.62 173.20 1bwd s VAL 216 N 1.55 4.98 -0.49 5.08 1.01 -1.26 -1.40 120.40 129.86 1bwd s VAL 216 Ca 0.04 1.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.60 1bwd s VAL 216 Cb -0.14 -4.13 0.13 0.00 0.00 0.00 0.00 36.38 32.25 1bwd s VAL 216 CO -0.09 0.19 0.31 -1.00 0.00 0.00 0.00 175.10 174.51 1bwd s HIS 217 N 1.08 3.51 0.21 5.22 3.76 0.24 -4.95 115.29 124.36 1bwd s HIS 217 Ca 0.41 -2.39 -0.30 0.00 -0.15 0.00 0.00 55.06 52.63 1bwd s HIS 217 Cb -0.18 -3.29 -0.08 0.00 1.11 0.00 0.00 32.58 30.14 1bwd s HIS 217 CO 0.20 -0.94 1.13 -1.25 -0.85 0.00 0.00 174.74 173.03 1bwd s PRO 218 N 0.81 4.57 -0.12 8.40 0.04 -1.25 0.70 135.00 148.15 1bwd s PRO 218 Ca 0.11 1.80 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1bwd s PRO 218 Cb -0.22 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1bwd s PRO 218 CO -0.03 0.06 -0.13 0.00 0.04 0.00 0.00 177.00 176.94 1bwd n ARG 220 N 4.50 1.56 -0.00 0.00 0.00 -1.26 -0.71 116.66 120.74 1bwd n ARG 220 Ca -0.17 -1.22 0.08 0.00 -0.00 0.00 0.00 57.85 56.54 1bwd n ARG 220 Cb 0.51 -1.04 -0.11 0.00 -0.00 0.00 0.00 32.46 31.81 1bwd n ARG 220 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1bwd n LYS 221 N -0.15 1.03 -0.99 2.89 3.00 -1.26 -4.92 118.16 117.75 1bwd n LYS 221 Ca 0.02 -0.07 -0.31 0.00 -0.00 0.00 0.00 58.31 57.94 1bwd n LYS 221 Cb 0.19 -1.35 0.13 0.00 0.00 0.00 0.00 35.03 34.01 1bwd n LYS 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bwd s LEU 222 N -3.45 2.96 -0.04 3.14 1.43 -1.26 -4.93 118.68 116.54 1bwd s LEU 222 Ca 0.00 2.05 0.19 0.00 -1.03 0.00 0.00 54.13 55.35 1bwd s LEU 222 Cb 0.12 -4.55 0.62 0.00 0.03 0.00 0.00 46.19 42.41 1bwd s LEU 222 CO 0.70 -2.59 1.52 -1.22 0.23 0.00 0.00 176.35 174.99 1bwd n TYR 223 N -3.81 1.06 -1.70 0.29 4.01 -1.26 -4.95 117.16 110.80 1bwd n TYR 223 Ca 0.11 -0.55 -0.44 0.00 -0.16 0.00 0.00 57.90 56.87 1bwd n TYR 223 Cb 0.52 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.44 1bwd n TYR 223 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bwd n ALA 224 N 1.26 1.74 0.15 -0.72 0.00 -1.26 -4.86 120.51 116.81 1bwd n ALA 224 Ca 0.23 0.40 0.12 0.00 0.00 0.00 0.00 53.44 54.18 1bwd n ALA 224 Cb 0.69 -2.36 0.01 0.00 0.00 0.00 0.00 19.45 17.78 1bwd n ALA 224 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bwd n SER 225 N 2.27 0.80 0.00 0.00 7.64 -1.26 -4.76 113.62 118.30 1bwd n SER 225 Ca 0.11 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1bwd n SER 225 Cb 0.33 0.50 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 1bwd n SER 225 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1bwd n THR 226 N -2.60 0.00 -4.44 0.44 5.66 -1.26 -0.51 114.28 111.57 1bwd n THR 226 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1bwd n THR 226 Cb 0.54 -0.11 -0.11 0.00 -1.55 0.00 0.00 70.33 69.10 1bwd n THR 226 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1bwd s HIS 227 N -0.74 2.64 -0.45 1.09 3.76 -1.26 -4.29 115.29 116.03 1bwd s HIS 227 Ca 0.00 -0.20 0.24 0.00 -0.15 0.00 0.00 55.06 54.95 1bwd s HIS 227 Cb 0.00 -1.45 0.50 0.00 1.11 0.00 0.00 32.58 32.75 1bwd s HIS 227 CO 0.00 0.34 1.67 -0.24 -0.85 0.00 0.00 174.74 175.66 1bwd h VAL 228 N 3.65 0.00 -0.44 -0.90 3.04 -1.78 -3.38 116.25 116.43 1bwd h VAL 228 Ca -0.49 -0.86 0.14 0.00 -1.01 0.00 0.00 66.70 64.48 1bwd h VAL 228 Cb 1.16 1.86 -0.08 0.00 -2.01 0.00 0.00 31.29 32.22 1bwd h VAL 228 CO 0.49 0.00 0.07 0.47 -1.01 0.00 0.00 177.57 177.59 1bwd n ASP 229 N -2.94 0.00 -0.50 3.17 8.00 -1.26 -0.64 116.55 122.39 1bwd n ASP 229 Ca 0.04 0.74 0.06 0.00 0.71 0.00 0.00 54.79 56.35 1bwd n ASP 229 Cb 0.49 -0.29 0.19 0.00 -0.02 0.00 0.00 41.12 41.49 1bwd n ASP 229 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bwd n SER 230 N -4.35 2.06 -0.01 -2.24 7.64 -1.26 -4.62 113.62 110.84 1bwd n SER 230 Ca 0.12 -3.61 -0.02 0.00 1.01 0.00 0.00 58.87 56.37 1bwd n SER 230 Cb 0.40 -0.51 -0.01 0.00 -1.01 0.00 0.00 64.21 63.08 1bwd n SER 230 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1bwd n THR 231 N -1.20 0.14 -4.04 0.44 -1.04 0.19 -4.74 114.28 104.04 1bwd n THR 231 Ca 0.19 -0.04 -0.31 0.00 -2.04 0.00 0.00 64.05 61.85 1bwd n THR 231 Cb 0.71 -1.20 -0.16 0.00 -1.82 0.00 0.00 70.33 67.87 1bwd n THR 231 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1bwd s ILE 232 N -2.05 1.84 -0.44 12.58 1.09 -0.99 -1.41 121.20 131.82 1bwd s ILE 232 Ca -0.03 -1.13 0.04 0.00 -1.10 0.00 0.00 60.65 58.42 1bwd s ILE 232 Cb 0.01 -1.87 0.12 0.00 -1.06 0.00 0.00 42.46 39.66 1bwd s ILE 232 CO 0.05 0.20 0.17 -0.69 -0.10 0.00 0.00 174.94 174.56 1bwd s VAL 233 N 1.31 2.45 0.48 2.92 1.01 -0.06 -4.72 120.40 123.79 1bwd s VAL 233 Ca -0.02 -2.91 -0.24 0.00 0.00 0.00 0.00 61.98 58.82 1bwd s VAL 233 Cb -0.16 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 1bwd s VAL 233 CO -0.08 -0.71 1.23 -0.81 0.00 0.00 0.00 175.10 174.73 1bwd n PRO 234 N 3.59 1.70 -0.00 2.72 -0.04 -1.26 -1.75 135.00 139.95 1bwd n PRO 234 Ca 0.05 0.61 -0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1bwd n PRO 234 Cb 0.36 -2.38 -0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1bwd n PRO 234 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bwd n LEU 235 N -0.20 0.21 -3.59 1.53 4.77 -0.49 -4.89 117.00 114.35 1bwd n LEU 235 Ca 0.09 -0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1bwd n LEU 235 Cb 0.42 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1bwd n LEU 235 CO 0.56 0.05 0.97 0.00 -1.33 0.00 0.00 177.39 177.64 1bwd s ARG 236 N -2.01 0.37 -0.13 3.23 1.70 -1.23 -4.64 118.95 116.23 1bwd s ARG 236 Ca -0.00 -0.14 -0.34 0.00 -0.47 0.00 0.00 55.73 54.78 1bwd s ARG 236 Cb 0.00 0.17 -0.11 0.00 -0.57 0.00 0.00 34.95 34.44 1bwd s ARG 236 CO 0.02 -0.16 1.95 -0.35 -1.08 0.00 0.00 175.30 175.67 1bwd n PRO 237 N -0.12 2.07 -0.21 3.89 -0.04 -1.26 -2.08 135.00 137.25 1bwd n PRO 237 Ca -0.01 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1bwd n PRO 237 Cb 0.59 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1bwd n PRO 237 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bwd n GLY 238 N 4.75 0.82 3.05 0.55 0.00 -1.26 -5.07 105.19 108.03 1bwd n GLY 238 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1bwd n GLY 238 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bwd s LEU 239 N 0.00 -0.38 0.01 0.99 2.96 -0.88 -1.33 118.68 120.05 1bwd s LEU 239 Ca 0.00 0.64 0.03 0.00 -0.22 0.00 0.00 54.13 54.58 1bwd s LEU 239 Cb 0.00 0.84 -0.01 0.00 0.50 0.00 0.00 46.19 47.52 1bwd s LEU 239 CO 0.00 -0.24 -0.10 0.54 -1.32 0.00 0.00 176.35 175.22 1bwd s VAL 240 N 2.46 0.80 -0.17 1.68 0.11 -0.79 -1.39 120.40 123.10 1bwd s VAL 240 Ca 0.01 -0.61 -0.15 0.00 -2.93 0.00 0.00 61.98 58.30 1bwd s VAL 240 Cb -0.12 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1bwd s VAL 240 CO -0.10 0.09 0.36 -0.22 -3.33 0.00 0.00 175.10 171.91 1bwd s LEU 241 N -0.59 4.22 0.28 2.54 2.96 -0.72 -1.08 118.68 126.29 1bwd s LEU 241 Ca 0.02 0.56 0.12 0.00 -0.22 0.00 0.00 54.13 54.61 1bwd s LEU 241 Cb -0.05 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 1bwd s LEU 241 CO 0.00 0.02 -0.20 0.42 -1.32 0.00 0.00 176.35 175.27 1bwd s THR 242 N 0.80 2.48 -0.44 3.68 -4.23 -0.63 -0.88 115.64 116.42 1bwd s THR 242 Ca 0.19 -2.40 -0.20 0.00 -1.18 0.00 0.00 61.69 58.10 1bwd s THR 242 Cb -0.14 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.43 1bwd s THR 242 CO 0.06 -0.39 0.61 0.21 -0.54 0.00 0.00 174.62 174.57 1bwd s ASN 243 N -3.49 6.29 0.58 3.99 3.04 -0.50 -2.17 114.94 122.68 1bwd s ASN 243 Ca 0.30 -0.43 0.38 0.00 0.04 0.00 0.00 52.86 53.14 1bwd s ASN 243 Cb -0.05 -2.30 1.81 0.00 -1.54 0.00 0.00 41.25 39.16 1bwd s ASN 243 CO 0.15 -0.75 2.13 1.55 -3.04 0.00 0.00 177.10 177.13 1bwd h PRO 244 N 8.86 0.00 0.00 0.43 0.13 -1.86 0.37 132.00 139.93 1bwd h PRO 244 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1bwd h PRO 244 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1bwd h PRO 244 CO 0.88 0.00 -0.25 0.66 -0.23 0.00 0.00 178.00 179.06 1bwd h SER 245 N 0.00 0.00 0.00 1.44 4.64 -1.97 -3.41 113.55 114.26 1bwd h SER 245 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1bwd h SER 245 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1bwd h SER 245 CO 0.00 0.01 -0.48 0.54 -0.87 0.00 0.00 176.83 176.03 1bwd n ARG 246 N -2.82 0.26 -3.65 4.77 1.74 -0.60 -5.00 116.66 111.36 1bwd n ARG 246 Ca 0.03 0.10 -0.34 0.00 -0.77 0.00 0.00 57.85 56.87 1bwd n ARG 246 Cb 0.51 -0.93 -0.05 0.00 -1.02 0.00 0.00 32.46 30.97 1bwd n ARG 246 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1bwd s VAL 247 N -2.35 5.17 0.00 1.55 -7.23 0.12 -4.37 120.40 113.29 1bwd s VAL 247 Ca -0.14 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 1bwd s VAL 247 Cb 0.02 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.34 1bwd s VAL 247 CO 0.21 0.28 0.00 -0.46 -0.31 0.00 0.00 175.10 174.82 1bwd n ASN 248 N 0.87 0.00 0.07 4.85 0.23 -1.26 -4.43 115.26 115.59 1bwd n ASN 248 Ca -0.08 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.00 1bwd n ASN 248 Cb 0.52 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.19 1bwd n ASN 248 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1bwd h ASP 249 N 0.00 0.00 0.12 0.53 5.19 -1.98 -2.89 116.42 117.39 1bwd h ASP 249 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bwd h ASP 249 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1bwd h ASP 249 CO 0.00 0.42 -0.18 -0.62 -3.12 0.00 0.00 179.24 175.74 1bwd n GLU 250 N -2.91 1.23 -0.06 3.56 1.02 -1.26 -4.31 120.64 117.92 1bwd n GLU 250 Ca -0.05 -0.78 -0.05 0.00 -0.02 0.00 0.00 57.16 56.26 1bwd n GLU 250 Cb 0.75 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 1bwd n GLU 250 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1bwd n ASN 251 N -0.20 1.34 -1.35 1.62 5.03 -1.23 -5.04 115.26 115.43 1bwd n ASN 251 Ca 0.14 0.37 -0.19 0.00 0.87 0.00 0.00 54.58 55.77 1bwd n ASN 251 Cb 0.38 -0.71 -0.03 0.00 -1.02 0.00 0.00 39.78 38.40 1bwd n ASN 251 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1bwd n MET 252 N -3.91 0.00 -1.35 3.52 1.56 -1.09 -4.86 117.12 110.99 1bwd n MET 252 Ca -0.08 0.00 -0.36 0.00 -0.27 0.00 0.00 57.70 56.99 1bwd n MET 252 Cb 0.29 -0.43 0.07 0.00 2.15 0.00 0.00 33.22 35.29 1bwd n MET 252 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1bwd n PRO 253 N 0.90 0.44 -0.07 2.12 -0.02 -1.26 -4.87 135.00 132.25 1bwd n PRO 253 Ca 0.08 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.63 1bwd n PRO 253 Cb -0.00 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 1bwd n PRO 253 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bwd h ASP 254 N -0.20 0.46 0.14 2.55 5.19 -2.01 -3.00 116.42 119.55 1bwd h ASP 254 Ca -0.46 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 55.50 1bwd h ASP 254 Cb 1.35 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1bwd h ASP 254 CO 0.45 0.81 0.00 2.22 -3.12 0.00 0.00 179.24 179.60 1bwd n PHE 255 N -4.51 0.00 0.65 4.55 -1.74 -1.26 -1.71 117.46 113.44 1bwd n PHE 255 Ca -0.05 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 56.91 1bwd n PHE 255 Cb 0.36 -0.17 -0.09 0.00 1.52 0.00 0.00 39.48 41.09 1bwd n PHE 255 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1bwd n LEU 256 N -1.17 0.65 0.27 5.98 4.32 -1.15 -4.58 117.00 121.32 1bwd n LEU 256 Ca 0.08 -0.44 0.18 0.00 -0.02 0.00 0.00 56.01 55.81 1bwd n LEU 256 Cb 0.08 0.00 0.92 0.00 -1.62 0.00 0.00 43.42 42.80 1bwd n LEU 256 CO 0.09 0.16 1.15 0.03 -1.22 0.00 0.00 177.39 177.60 1bwd h ARG 257 N 0.00 0.00 0.00 3.23 3.08 -1.21 -1.81 114.38 117.67 1bwd h ARG 257 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1bwd h ARG 257 Cb 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1bwd h ARG 257 CO 0.00 0.00 -1.54 1.03 -1.07 0.00 0.00 179.97 178.39 1bwd h SER 258 N 0.00 0.00 -4.04 7.04 0.87 -1.81 -3.47 113.55 112.14 1bwd h SER 258 Ca 0.05 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.06 1bwd h SER 258 Cb 0.38 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 62.47 1bwd h SER 258 CO -0.00 0.97 0.60 0.26 -0.53 0.00 0.00 176.83 178.13 1bwd s TRP 259 N -2.64 2.33 0.25 2.24 0.52 -0.68 -4.91 118.94 116.04 1bwd s TRP 259 Ca -0.03 1.38 -0.30 0.00 0.02 0.00 0.00 56.10 57.17 1bwd s TRP 259 Cb 0.08 -3.78 -0.09 0.00 -1.15 0.00 0.00 33.47 28.53 1bwd s TRP 259 CO 0.82 -2.82 1.15 -2.00 0.02 0.00 0.00 176.95 174.12 1bwd s GLU 260 N -2.88 4.57 -0.19 4.98 2.12 -0.44 -4.89 118.70 121.97 1bwd s GLU 260 Ca 0.71 1.86 -0.02 0.00 0.36 0.00 0.00 54.97 57.87 1bwd s GLU 260 Cb -0.40 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1bwd s GLU 260 CO 0.47 0.07 -0.09 1.21 -0.54 0.00 0.00 175.26 176.39 1bwd s ASN 261 N -0.48 4.06 -0.18 -1.70 3.84 -1.26 -1.89 114.94 117.34 1bwd s ASN 261 Ca 0.48 -0.40 -0.05 0.00 0.21 0.00 0.00 52.86 53.10 1bwd s ASN 261 Cb -0.33 -1.67 -0.03 0.00 -0.55 0.00 0.00 41.25 38.68 1bwd s ASN 261 CO 0.40 0.04 0.00 0.27 -2.79 0.00 0.00 177.10 175.03 1bwd s ILE 262 N 1.08 4.10 0.14 -5.21 -4.36 -0.24 -4.97 121.20 111.74 1bwd s ILE 262 Ca 0.00 -0.27 -0.30 0.00 -0.26 0.00 0.00 60.65 59.82 1bwd s ILE 262 Cb -0.15 -2.84 -0.07 0.00 1.25 0.00 0.00 42.46 40.66 1bwd s ILE 262 CO -0.02 0.45 1.13 -0.89 0.24 0.00 0.00 174.94 175.86 1bwd s THR 263 N 0.68 3.92 0.26 8.37 2.01 -1.26 -1.60 115.64 128.02 1bwd s THR 263 Ca -0.00 1.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 1bwd s THR 263 Cb -0.14 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1bwd s THR 263 CO 0.02 0.22 1.25 0.00 -0.69 0.00 0.00 174.62 175.42 1bwd s PRO 265 N -1.03 -0.20 0.10 0.00 0.04 -1.26 -4.76 135.00 127.89 1bwd s PRO 265 Ca 0.51 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 1bwd s PRO 265 Cb -0.36 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1bwd s PRO 265 CO 0.44 -3.16 0.97 -1.83 0.04 0.00 0.00 177.00 173.46 1bwd s GLU 266 N -4.86 4.68 0.90 4.56 -1.05 -1.26 -4.97 118.70 116.70 1bwd s GLU 266 Ca 0.67 1.46 -0.14 0.00 -0.15 0.00 0.00 54.97 56.81 1bwd s GLU 266 Cb -0.20 -3.38 0.14 0.00 -0.44 0.00 0.00 34.13 30.25 1bwd s GLU 266 CO 0.60 0.17 1.23 -0.51 0.95 0.00 0.00 175.26 177.70 1bwd s LEU 267 N 0.12 2.44 0.23 1.83 1.02 -1.26 -4.94 118.68 118.12 1bwd s LEU 267 Ca 0.48 0.59 -0.18 0.00 0.02 0.00 0.00 54.13 55.04 1bwd s LEU 267 Cb -0.23 -2.85 -0.08 0.00 0.02 0.00 0.00 46.19 43.05 1bwd s LEU 267 CO 0.30 -2.42 0.71 -0.69 0.02 0.00 0.00 176.35 174.27 1bwd s VAL 268 N -3.64 4.61 -0.96 -1.59 1.01 -1.26 -5.01 120.40 113.56 1bwd s VAL 268 Ca 0.67 1.19 -0.19 0.00 0.00 0.00 0.00 61.98 63.66 1bwd s VAL 268 Cb -0.09 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.62 1bwd s VAL 268 CO 0.51 0.14 1.18 -0.62 0.00 0.00 0.00 175.10 176.32 1bwd s ASP 269 N -1.76 6.66 0.67 3.32 2.15 -1.26 -4.95 116.67 121.49 1bwd s ASP 269 Ca 0.44 -2.09 -0.17 0.00 0.43 0.00 0.00 52.55 51.17 1bwd s ASP 269 Cb -0.15 -2.41 -0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1bwd s ASP 269 CO 0.20 -1.07 1.18 2.30 -0.17 0.00 0.00 175.17 177.62 1bwd n ILE 270 N 5.52 4.18 -0.43 4.11 -5.35 -1.26 -4.96 119.36 121.17 1bwd n ILE 270 Ca 0.26 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1bwd n ILE 270 Cb 0.49 -1.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.04 1bwd n ILE 270 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bwd n GLY 271 N 0.97 -1.96 3.17 3.28 0.00 -1.26 -4.94 105.19 104.45 1bwd n GLY 271 Ca 0.15 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 1bwd n GLY 271 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bwd s PHE 272 N -0.67 -0.20 -0.24 1.61 -0.12 -1.26 -4.43 117.98 112.67 1bwd s PHE 272 Ca 0.00 0.43 -0.02 0.00 -0.05 0.00 0.00 56.93 57.29 1bwd s PHE 272 Cb 0.00 0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1bwd s PHE 272 CO 0.00 -0.24 -0.06 0.99 -0.05 0.00 0.00 175.22 175.86 1bwd s THR 273 N -0.56 2.95 0.00 -4.49 2.01 -1.26 -4.99 115.64 109.30 1bwd s THR 273 Ca -0.07 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1bwd s THR 273 Cb -0.04 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1bwd s THR 273 CO 0.02 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 1bwd n GLY 274 N 4.69 -0.52 0.24 4.40 0.00 -1.26 -4.91 105.19 107.83 1bwd n GLY 274 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1bwd n GLY 274 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bwd n ASP 275 N 0.00 0.66 -3.78 1.61 -0.08 -1.26 -5.04 116.55 108.66 1bwd n ASP 275 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1bwd n ASP 275 Cb 0.00 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.31 1bwd n ASP 275 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1bwd s LYS 276 N -1.30 -0.01 0.68 -0.67 3.01 -1.26 -5.15 119.74 115.04 1bwd s LYS 276 Ca 0.00 0.20 -0.17 0.00 -1.01 0.00 0.00 55.97 55.00 1bwd s LYS 276 Cb 0.00 -0.20 0.01 0.00 -1.01 0.00 0.00 37.83 36.63 1bwd s LYS 276 CO 0.00 -0.15 1.24 -1.25 0.51 0.00 0.00 175.35 175.71 1bwd s PRO 277 N 0.96 2.43 -0.02 -1.68 0.04 -1.26 -4.96 135.00 130.51 1bwd s PRO 277 Ca -0.08 1.90 0.17 0.00 0.04 0.00 0.00 61.00 63.03 1bwd s PRO 277 Cb -0.11 -1.85 -0.20 0.00 0.04 0.00 0.00 34.50 32.38 1bwd s PRO 277 CO -0.03 -1.65 0.60 1.58 0.04 0.00 0.00 177.00 177.54 1bwd n HIS 278 N -2.21 0.68 -4.30 0.56 -0.00 -0.79 -4.92 115.22 104.24 1bwd n HIS 278 Ca 0.15 0.23 -0.21 0.00 0.46 0.00 0.00 57.72 58.35 1bwd n HIS 278 Cb 0.49 -1.03 -0.13 0.00 -0.12 0.00 0.00 29.99 29.20 1bwd n HIS 278 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bwd s SER 280 N -1.53 4.01 0.61 0.00 1.04 -1.26 -4.83 113.70 111.73 1bwd s SER 280 Ca 0.02 2.23 0.30 0.00 0.48 0.00 0.00 55.95 58.98 1bwd s SER 280 Cb -0.09 -2.57 1.65 0.00 0.10 0.00 0.00 66.02 65.11 1bwd s SER 280 CO 0.02 -2.38 1.92 -0.37 0.98 0.00 0.00 173.24 173.41 1bwd h VAL 281 N -0.73 0.00 0.00 5.02 -1.51 -1.96 -2.34 116.25 114.72 1bwd h VAL 281 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1bwd h VAL 281 Cb 1.28 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1bwd h VAL 281 CO 0.48 0.00 0.00 0.79 -1.23 0.00 0.00 177.57 177.61 1bwd n TRP 282 N -2.79 0.00 0.28 5.19 7.02 -1.26 -2.28 117.44 123.60 1bwd n TRP 282 Ca -0.02 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.63 1bwd n TRP 282 Cb 0.29 -0.03 0.70 0.00 -2.42 0.00 0.00 31.31 29.85 1bwd n TRP 282 CO 0.00 0.00 0.00 -0.84 -2.02 0.00 0.00 177.69 174.83 1bwd h ILE 283 N 0.00 0.01 -1.09 -0.99 -2.65 -1.77 -2.06 117.51 108.96 1bwd h ILE 283 Ca 0.00 -0.51 0.30 0.00 1.03 0.00 0.00 64.86 65.68 1bwd h ILE 283 Cb 0.01 1.50 -0.11 0.00 -2.05 0.00 0.00 36.82 36.17 1bwd h ILE 283 CO 0.00 0.00 0.69 1.23 0.03 0.00 0.00 178.15 180.10 1bwd h GLY 284 N 2.00 1.35 2.00 0.16 0.00 -1.74 0.95 103.07 107.78 1bwd h GLY 284 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1bwd h GLY 284 CO 0.00 -0.22 0.00 1.03 0.00 0.00 0.00 176.54 177.35 1bwd n MET 285 N -4.69 0.20 -0.24 4.80 2.81 -0.78 -4.57 117.12 114.66 1bwd n MET 285 Ca 0.28 0.29 -0.06 0.00 -1.81 0.00 0.00 57.70 56.41 1bwd n MET 285 Cb 0.98 -1.79 -0.02 0.00 -0.71 0.00 0.00 33.22 31.68 1bwd n MET 285 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1bwd n ASN 286 N -2.15 1.48 -4.89 7.83 4.05 0.33 -4.88 115.26 117.02 1bwd n ASN 286 Ca 0.04 -1.94 -0.29 0.00 0.45 0.00 0.00 54.58 52.84 1bwd n ASN 286 Cb 0.32 -0.53 0.01 0.00 1.23 0.00 0.00 39.78 40.81 1bwd n ASN 286 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 1bwd s LEU 287 N 0.02 3.39 -0.21 1.20 0.05 -1.26 -0.60 118.68 121.27 1bwd s LEU 287 Ca 0.14 1.11 0.01 0.00 0.05 0.00 0.00 54.13 55.43 1bwd s LEU 287 Cb 0.05 -4.07 0.05 0.00 -2.05 0.00 0.00 46.19 40.16 1bwd s LEU 287 CO -0.01 -0.79 -0.09 -0.22 -0.55 0.00 0.00 176.35 174.69 1bwd s LEU 288 N -4.98 2.33 -0.33 1.48 2.96 -1.01 -3.88 118.68 115.25 1bwd s LEU 288 Ca 0.52 -0.95 -0.28 0.00 -0.22 0.00 0.00 54.13 53.20 1bwd s LEU 288 Cb -0.11 -1.21 0.02 0.00 0.50 0.00 0.00 46.19 45.39 1bwd s LEU 288 CO 0.49 -0.17 1.03 -0.69 -1.32 0.00 0.00 176.35 175.69 1bwd s VAL 289 N 1.40 4.53 0.02 1.68 1.01 -1.26 0.40 120.40 128.18 1bwd s VAL 289 Ca -0.02 1.57 -0.15 0.00 0.00 0.00 0.00 61.98 63.38 1bwd s VAL 289 Cb -0.17 -4.39 -0.35 0.00 0.00 0.00 0.00 36.38 31.48 1bwd s VAL 289 CO -0.08 -0.50 0.95 0.58 0.00 0.00 0.00 175.10 176.06 1bwd h VAL 290 N 5.76 1.23 -3.47 2.92 2.07 -0.59 -3.43 116.25 120.75 1bwd h VAL 290 Ca -0.21 -2.69 -0.03 0.00 0.82 0.00 0.00 66.70 64.59 1bwd h VAL 290 Cb 1.07 3.00 -0.09 0.00 -1.52 0.00 0.00 31.29 33.74 1bwd h VAL 290 CO 1.02 0.82 -0.04 0.00 0.02 0.00 0.00 177.57 179.38 1bwd s ARG 291 N -2.60 1.46 0.65 1.57 1.70 -1.03 -0.25 118.95 120.44 1bwd s ARG 291 Ca -0.10 -1.05 0.26 0.00 -0.47 0.00 0.00 55.73 54.37 1bwd s ARG 291 Cb 0.04 0.49 1.40 0.00 -0.57 0.00 0.00 34.95 36.31 1bwd s ARG 291 CO 0.93 -0.61 1.79 -1.35 -1.08 0.00 0.00 175.30 174.98 1bwd h PRO 292 N 2.24 0.00 -0.08 3.89 0.11 -1.77 -0.31 132.00 136.09 1bwd h PRO 292 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1bwd h PRO 292 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bwd h PRO 292 CO 0.36 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.75 1bwd n ASP 293 N -3.00 2.17 -3.88 -2.05 5.75 -1.26 -4.73 116.55 109.55 1bwd n ASP 293 Ca 0.01 -1.96 -0.20 0.00 -0.01 0.00 0.00 54.79 52.62 1bwd n ASP 293 Cb 0.53 -0.05 -0.16 0.00 -1.03 0.00 0.00 41.12 40.40 1bwd n ASP 293 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1bwd s LEU 294 N -0.97 1.25 -0.01 -2.12 2.96 -0.13 -0.64 118.68 119.03 1bwd s LEU 294 Ca 0.05 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1bwd s LEU 294 Cb 0.03 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.25 1bwd s LEU 294 CO 0.04 -0.07 0.10 0.00 -1.32 0.00 0.00 176.35 175.10 1bwd s ALA 295 N 1.04 -0.23 -0.19 5.97 0.00 -0.88 0.13 121.76 127.59 1bwd s ALA 295 Ca -0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 1bwd s ALA 295 Cb -0.14 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1bwd s ALA 295 CO -0.01 -0.16 0.04 0.54 0.00 0.00 0.00 175.76 176.18 1bwd s VAL 296 N -0.98 4.44 0.05 0.00 0.11 0.16 -1.93 120.40 122.26 1bwd s VAL 296 Ca -0.11 -0.15 0.06 0.00 -2.93 0.00 0.00 61.98 58.85 1bwd s VAL 296 Cb -0.06 -3.01 -0.02 0.00 -1.53 0.00 0.00 36.38 31.76 1bwd s VAL 296 CO 0.01 0.44 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.36 1bwd s VAL 297 N 0.64 1.38 0.18 2.04 1.01 -1.21 -2.39 120.40 122.04 1bwd s VAL 297 Ca 0.02 -1.14 -0.32 0.00 0.00 0.00 0.00 61.98 60.54 1bwd s VAL 297 Cb -0.13 -1.23 -0.11 0.00 0.00 0.00 0.00 36.38 34.90 1bwd s VAL 297 CO 0.02 0.07 1.68 -0.62 0.00 0.00 0.00 175.10 176.25 1bwd s ASP 298 N -1.25 6.46 0.00 3.32 -1.08 -1.26 -2.79 116.67 120.08 1bwd s ASP 298 Ca 0.04 2.76 0.04 0.00 -0.52 0.00 0.00 52.55 54.87 1bwd s ASP 298 Cb -0.08 -2.59 0.26 0.00 -1.46 0.00 0.00 42.92 39.04 1bwd s ASP 298 CO 0.02 -0.93 0.66 -2.11 0.52 0.00 0.00 175.17 173.33 1bwd n ARG 299 N 4.25 0.17 0.00 4.34 1.85 -0.01 -1.38 116.66 125.88 1bwd n ARG 299 Ca 0.15 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.11 1bwd n ARG 299 Cb 0.37 -1.38 -0.06 0.00 -1.05 0.00 0.00 32.46 30.34 1bwd n ARG 299 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1bwd n ARG 300 N -0.88 0.34 -2.31 2.89 1.74 -1.26 -4.47 116.66 112.70 1bwd n ARG 300 Ca 0.03 -0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 56.42 1bwd n ARG 300 Cb 0.01 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1bwd n ARG 300 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1bwd n GLN 301 N -1.09 4.43 -0.11 5.56 1.13 -0.48 -4.74 117.38 122.08 1bwd n GLN 301 Ca 0.06 -3.79 -0.03 0.00 -1.94 0.00 0.00 57.00 51.30 1bwd n GLN 301 Cb 0.37 -2.68 0.20 0.00 0.11 0.00 0.00 30.24 28.24 1bwd n GLN 301 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bwd h THR 302 N 2.98 1.22 -0.09 5.09 1.03 -1.83 0.10 112.91 121.42 1bwd h THR 302 Ca 0.53 -0.84 0.01 0.00 -0.01 0.00 0.00 66.41 66.10 1bwd h THR 302 Cb 0.44 0.73 -0.01 0.00 -1.07 0.00 0.00 68.15 68.24 1bwd h THR 302 CO 1.46 0.31 0.00 0.00 -0.01 0.00 0.00 175.52 177.28 1bwd h ALA 303 N 1.35 0.08 -0.73 0.00 0.00 -1.93 -1.76 119.26 116.27 1bwd h ALA 303 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1bwd h ALA 303 Cb 0.32 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1bwd h ALA 303 CO 0.00 -0.46 0.31 1.25 0.00 0.00 0.00 179.25 180.35 1bwd h LEU 304 N 0.04 1.00 -0.45 0.00 5.85 -1.79 -2.20 115.31 117.76 1bwd h LEU 304 Ca 0.04 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1bwd h LEU 304 Cb 0.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1bwd h LEU 304 CO -0.06 0.89 0.03 0.40 -0.34 0.00 0.00 178.44 179.36 1bwd h ILE 305 N 1.05 1.26 0.05 4.05 2.04 -0.68 -2.11 117.51 123.16 1bwd h ILE 305 Ca 0.25 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1bwd h ILE 305 Cb 0.19 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1bwd h ILE 305 CO -0.02 0.34 -0.29 0.03 0.00 0.00 0.00 178.15 178.20 1bwd h ARG 306 N 0.63 -0.39 -0.48 2.37 3.08 -1.21 -1.30 114.38 117.08 1bwd h ARG 306 Ca 0.13 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.28 1bwd h ARG 306 Cb 0.45 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.49 1bwd h ARG 306 CO 0.02 -0.26 -0.46 1.25 -1.07 0.00 0.00 179.97 179.45 1bwd h LEU 307 N -0.41 -1.54 -0.66 3.04 5.85 -1.37 0.05 115.31 120.27 1bwd h LEU 307 Ca -0.00 0.23 0.14 0.00 0.84 0.00 0.00 57.88 59.09 1bwd h LEU 307 Cb 0.41 0.67 -0.11 0.00 0.37 0.00 0.00 40.66 42.01 1bwd h LEU 307 CO -0.17 -0.36 0.04 -0.07 -0.34 0.00 0.00 178.44 177.54 1bwd h LEU 308 N -0.30 -0.21 -0.94 2.25 3.38 -1.19 -0.37 115.31 117.93 1bwd h LEU 308 Ca 0.14 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1bwd h LEU 308 Cb 0.58 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1bwd h LEU 308 CO -0.62 -0.10 0.60 -0.33 0.09 0.00 0.00 178.44 178.07 1bwd h GLU 309 N 0.15 1.25 -0.85 1.13 5.08 0.15 -2.02 114.58 119.47 1bwd h GLU 309 Ca 0.35 -0.09 0.20 0.00 -1.00 0.00 0.00 59.36 58.82 1bwd h GLU 309 Cb 0.59 -0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1bwd h GLU 309 CO -0.54 0.85 0.57 -0.22 -1.00 0.00 0.00 179.01 178.67 1bwd h LYS 310 N 1.28 0.31 -1.02 2.33 3.64 0.47 0.71 116.57 124.29 1bwd h LYS 310 Ca 0.34 -0.02 -0.43 0.00 -1.27 0.00 0.00 60.65 59.27 1bwd h LYS 310 Cb -0.11 -0.07 -0.25 0.00 -0.41 0.00 0.00 32.23 31.39 1bwd h LYS 310 CO -0.07 0.20 0.55 0.72 -2.27 0.00 0.00 179.45 178.58 1bwd n HIS 311 N -4.46 2.50 -3.66 1.91 8.25 -0.79 -4.93 115.22 114.04 1bwd n HIS 311 Ca 0.18 -1.68 -0.22 0.00 -0.26 0.00 0.00 57.72 55.74 1bwd n HIS 311 Cb 0.70 -0.86 0.05 0.00 1.12 0.00 0.00 29.99 31.01 1bwd n HIS 311 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bwd n GLY 312 N -0.80 -0.35 2.94 -1.41 0.00 0.24 -5.00 105.19 100.82 1bwd n GLY 312 Ca 0.49 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 46.34 1bwd n GLY 312 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1bwd s MET 313 N -5.94 1.56 0.11 1.61 0.00 -1.06 -4.80 119.30 110.77 1bwd s MET 313 Ca 0.12 -1.19 -0.29 0.00 0.00 0.00 0.00 55.69 54.33 1bwd s MET 313 Cb -0.06 -2.66 -0.06 0.00 0.00 0.00 0.00 34.83 32.06 1bwd s MET 313 CO 0.79 -0.70 0.93 -0.80 0.00 0.00 0.00 175.02 175.24 1bwd s ASN 314 N 1.31 7.46 0.22 1.11 0.02 0.18 -3.14 114.94 122.10 1bwd s ASN 314 Ca -0.02 1.75 0.07 0.00 -1.02 0.00 0.00 52.86 53.64 1bwd s ASN 314 Cb -0.19 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.47 1bwd s ASN 314 CO -0.09 -0.04 0.12 0.68 0.02 0.00 0.00 177.10 177.79 1bwd s VAL 315 N -0.07 4.19 -0.37 1.60 -7.23 -1.26 -2.07 120.40 115.19 1bwd s VAL 315 Ca 0.45 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1bwd s VAL 315 Cb -0.23 -3.21 0.11 0.00 0.56 0.00 0.00 36.38 33.61 1bwd s VAL 315 CO 0.29 -0.27 0.14 -0.22 -0.31 0.00 0.00 175.10 174.74 1bwd s LEU 316 N -3.52 2.95 -0.57 1.32 2.96 -0.81 -4.92 118.68 116.09 1bwd s LEU 316 Ca 0.31 -2.13 -0.25 0.00 -0.22 0.00 0.00 54.13 51.84 1bwd s LEU 316 Cb -0.08 -1.10 0.04 0.00 0.50 0.00 0.00 46.19 45.55 1bwd s LEU 316 CO 0.23 -0.35 1.01 -2.16 -1.32 0.00 0.00 176.35 173.76 1bwd s PRO 317 N 0.97 3.36 0.35 0.98 0.04 -1.26 -3.35 135.00 136.10 1bwd s PRO 317 Ca 0.13 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.05 1bwd s PRO 317 Cb -0.20 -4.05 0.04 0.00 0.04 0.00 0.00 34.50 30.33 1bwd s PRO 317 CO -0.12 -1.56 0.36 1.28 0.04 0.00 0.00 177.00 176.99 1bwd n LEU 318 N 7.76 0.00 -3.80 -3.56 4.77 -1.12 -4.55 117.00 116.50 1bwd n LEU 318 Ca 0.03 -1.72 -0.13 0.00 -0.03 0.00 0.00 56.01 54.17 1bwd n LEU 318 Cb 0.48 -0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1bwd n LEU 318 CO 0.66 -0.53 -0.26 -1.58 -1.33 0.00 0.00 177.39 174.35 1bwd s GLN 319 N -3.52 0.09 -0.48 3.23 0.74 -1.26 -0.83 119.66 117.63 1bwd s GLN 319 Ca 0.27 0.23 0.04 0.00 0.05 0.00 0.00 55.36 55.94 1bwd s GLN 319 Cb -0.02 -0.06 0.12 0.00 1.10 0.00 0.00 33.01 34.15 1bwd s GLN 319 CO 0.17 -0.09 0.21 -0.51 -0.55 0.00 0.00 175.29 174.53 1bwd s LEU 320 N 0.57 4.49 0.11 3.68 1.43 -1.26 -4.86 118.68 122.84 1bwd s LEU 320 Ca -0.04 -2.77 -0.26 0.00 -1.03 0.00 0.00 54.13 50.02 1bwd s LEU 320 Cb -0.06 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 1bwd s LEU 320 CO -0.02 -0.28 1.65 0.74 0.23 0.00 0.00 176.35 178.67 1bwd h THR 321 N 5.79 0.50 -0.40 5.49 2.02 -1.97 -3.20 112.91 121.14 1bwd h THR 321 Ca -0.07 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.88 1bwd h THR 321 Cb 0.93 0.50 -0.12 0.00 -1.74 0.00 0.00 68.15 67.72 1bwd h THR 321 CO 0.65 0.00 0.30 1.41 0.37 0.00 0.00 175.52 178.25 1bwd n HIS 322 N -5.35 1.26 -0.19 3.16 8.25 -1.26 -4.54 115.22 116.55 1bwd n HIS 322 Ca -0.07 -1.38 -0.06 0.00 -0.26 0.00 0.00 57.72 55.96 1bwd n HIS 322 Cb 0.26 -0.69 0.04 0.00 1.12 0.00 0.00 29.99 30.72 1bwd n HIS 322 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1bwd h SER 323 N 0.84 0.59 1.13 0.41 0.02 -1.77 -0.47 113.55 114.30 1bwd h SER 323 Ca 0.25 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1bwd h SER 323 Cb 1.39 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1bwd h SER 323 CO 0.53 0.42 0.00 0.03 -1.14 0.00 0.00 176.83 176.67 1bwd h ARG 324 N 0.71 0.00 0.00 3.45 3.08 -1.80 0.45 114.38 120.27 1bwd h ARG 324 Ca 0.22 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 1bwd h ARG 324 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1bwd h ARG 324 CO -0.07 0.00 -0.59 1.15 -1.07 0.00 0.00 179.97 179.38 1bwd h THR 325 N 0.00 1.38 0.00 2.04 2.02 -1.40 -1.94 112.91 115.00 1bwd h THR 325 Ca 0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1bwd h THR 325 Cb 0.57 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1bwd h THR 325 CO 0.00 0.47 -0.54 -0.07 0.37 0.00 0.00 175.52 175.75 1bwd h LEU 326 N -1.00 0.00 -2.89 2.58 3.38 -1.27 -3.41 115.31 112.70 1bwd h LEU 326 Ca -0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1bwd h LEU 326 Cb 1.14 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.91 1bwd h LEU 326 CO -0.10 0.06 -0.07 0.61 0.09 0.00 0.00 178.44 179.03 1bwd n GLY 327 N 1.29 0.02 3.64 0.83 0.00 0.16 -5.03 105.19 106.10 1bwd n GLY 327 Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1bwd n GLY 327 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwd s GLY 328 N -2.61 -0.08 0.00 -0.02 0.00 -1.03 -5.00 107.32 98.60 1bwd s GLY 328 Ca 0.04 3.01 0.00 0.00 0.00 0.00 0.00 44.72 47.77 1bwd s GLY 328 CO 0.13 2.45 0.00 0.61 0.00 0.00 0.00 173.10 176.29 1bwd n GLY 329 N 3.50 4.87 0.33 0.20 0.00 -1.26 -4.47 105.19 108.37 1bwd n GLY 329 Ca -0.18 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.75 1bwd n GLY 329 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bwd h PHE 330 N 0.05 1.13 -0.09 1.61 0.04 -1.17 -1.18 116.94 117.33 1bwd h PHE 330 Ca 0.00 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1bwd h PHE 330 Cb 0.00 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 37.78 1bwd h PHE 330 CO 0.00 0.77 -0.09 1.25 -0.60 0.00 0.00 178.31 179.64 1bwd h HIS 331 N 1.16 0.27 -0.66 -0.55 2.76 -1.21 -3.08 115.15 113.84 1bwd h HIS 331 Ca 0.30 -0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1bwd h HIS 331 Cb -0.01 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 28.85 1bwd h HIS 331 CO 0.00 0.65 0.41 0.00 -1.30 0.00 0.00 177.93 177.69 1bwd n ALA 333 N -2.31 2.27 -2.60 0.00 0.00 -0.46 -3.41 120.51 114.00 1bwd n ALA 333 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1bwd n ALA 333 Cb 0.10 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 1bwd n ALA 333 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bwd s THR 334 N -1.22 0.08 -0.21 0.00 -4.23 -1.03 -4.49 115.64 104.54 1bwd s THR 334 Ca 0.00 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1bwd s THR 334 Cb 0.00 -1.81 0.09 0.00 1.34 0.00 0.00 72.50 72.13 1bwd s THR 334 CO 0.00 -0.38 0.21 -0.22 -0.54 0.00 0.00 174.62 173.69 1bwd s LEU 335 N -2.97 -0.07 -0.34 4.79 1.98 -0.41 -3.25 118.68 118.42 1bwd s LEU 335 Ca 0.17 -0.29 -0.28 0.00 -2.89 0.00 0.00 54.13 50.84 1bwd s LEU 335 Cb 0.04 0.33 0.02 0.00 0.66 0.00 0.00 46.19 47.24 1bwd s LEU 335 CO -0.01 -0.33 1.04 1.51 -1.89 0.00 0.00 176.35 176.66 1bwd s ASP 336 N 2.31 6.84 0.00 3.68 -4.77 -1.26 -1.07 116.67 122.40 1bwd s ASP 336 Ca 0.07 0.89 0.23 0.00 -3.30 0.00 0.00 52.55 50.44 1bwd s ASP 336 Cb -0.16 -2.52 0.18 0.00 -1.09 0.00 0.00 42.92 39.33 1bwd s ASP 336 CO -0.13 -0.90 1.20 1.33 0.70 0.00 0.00 175.17 177.37 1bwd n VAL 337 N 5.97 0.00 -3.53 2.11 0.24 -0.62 -4.89 118.33 117.62 1bwd n VAL 337 Ca 0.11 -0.17 -0.01 0.00 -2.04 0.00 0.00 64.34 62.23 1bwd n VAL 337 Cb 0.47 0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 33.74 1bwd n VAL 337 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1bwd s ARG 338 N -2.60 0.39 -0.06 7.34 3.52 -1.11 -2.16 118.95 124.27 1bwd s ARG 338 Ca 0.18 0.86 0.04 0.00 -0.13 0.00 0.00 55.73 56.68 1bwd s ARG 338 Cb 0.18 0.38 -0.00 0.00 -1.56 0.00 0.00 34.95 33.95 1bwd s ARG 338 CO 0.61 -0.11 -0.18 1.03 -0.81 0.00 0.00 175.30 175.84 1bwd s ARG 339 N 2.13 2.11 0.27 5.12 0.52 -0.80 -0.38 118.95 127.92 1bwd s ARG 339 Ca -0.06 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 1bwd s ARG 339 Cb -0.06 -1.74 -0.11 0.00 0.52 0.00 0.00 34.95 33.55 1bwd s ARG 339 CO -0.17 0.20 1.62 0.95 0.02 0.00 0.00 175.30 177.92 1bwd s THR 340 N 0.20 2.06 -5.00 0.02 -4.23 0.10 -4.64 115.64 104.15 1bwd s THR 340 Ca -0.09 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1bwd s THR 340 Cb -0.14 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1bwd s THR 340 CO 0.04 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1bwd n GLY 341 N 2.57 0.66 3.42 3.99 0.00 -1.26 -3.96 105.19 110.61 1bwd n GLY 341 Ca 0.10 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 1bwd n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwd s ALA 342 N -1.03 2.36 -0.25 4.61 0.00 -1.26 -4.97 121.76 121.21 1bwd s ALA 342 Ca 0.00 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.07 1bwd s ALA 342 Cb 0.00 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 1bwd s ALA 342 CO 0.00 -0.39 0.70 -1.17 0.00 0.00 0.00 175.76 174.90 1bwd s LEU 343 N -3.47 4.07 0.00 0.00 2.96 -1.26 -4.86 118.68 116.12 1bwd s LEU 343 Ca 0.32 0.83 0.06 0.00 -0.22 0.00 0.00 54.13 55.13 1bwd s LEU 343 Cb 0.06 -2.97 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 1bwd s LEU 343 CO 0.15 -0.42 0.24 -0.62 -1.32 0.00 0.00 176.35 174.39 1bwd n GLU 344 N 5.78 0.35 -3.94 1.98 1.02 -1.26 -4.99 120.64 119.58 1bwd n GLU 344 Ca 0.02 -2.81 -0.30 0.00 -0.02 0.00 0.00 57.16 54.04 1bwd n GLU 344 Cb 0.48 2.32 -0.15 0.00 -0.02 0.00 0.00 31.44 34.07 1bwd n GLU 344 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1bwd s THR 345 N -3.14 1.60 -0.32 2.62 2.01 -1.26 -2.48 115.64 114.67 1bwd s THR 345 Ca 0.34 -1.38 -0.05 0.00 0.31 0.00 0.00 61.69 60.90 1bwd s THR 345 Cb 0.02 -1.91 -0.08 0.00 0.01 0.00 0.00 72.50 70.53 1bwd s THR 345 CO 0.24 -0.20 3.13 -1.22 -0.69 0.00 0.00 174.62 175.88 1bwd n TYR 346 N 4.63 0.98 -3.68 4.92 4.01 -1.26 -4.89 117.16 121.86 1bwd n TYR 346 Ca -0.10 -1.82 -0.38 0.00 -0.16 0.00 0.00 57.90 55.45 1bwd n TYR 346 Cb 0.43 -1.52 -0.12 0.00 -0.31 0.00 0.00 39.34 37.83 1bwd n TYR 346 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1bwd s GLN 347 N -0.45 3.33 0.00 -0.72 -0.21 -1.26 -4.87 119.66 115.48 1bwd s GLN 347 Ca 0.62 -0.72 0.24 0.00 0.02 0.00 0.00 55.36 55.52 1bwd s GLN 347 Cb 0.34 -3.52 0.19 0.00 1.00 0.00 0.00 33.01 31.02 1bwd s GLN 347 CO -0.12 -0.40 1.26 1.19 -2.12 0.00 0.00 175.29 175.10