#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aol s VAL 10 N 0.00 4.73 0.21 5.09 1.01 -1.26 -4.14 120.40 126.03 1aol s VAL 10 Ca 0.00 1.33 0.09 0.00 0.00 0.00 0.00 61.98 63.40 1aol s VAL 10 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1aol s VAL 10 CO 0.00 0.50 -0.18 -0.31 0.00 0.00 0.00 175.10 175.11 1aol s TYR 11 N -0.78 1.96 -0.73 5.22 2.02 -0.02 -4.32 117.35 120.70 1aol s TYR 11 Ca 0.31 -0.45 -0.26 0.00 -0.37 0.00 0.00 57.07 56.30 1aol s TYR 11 Cb -0.20 -0.92 0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1aol s TYR 11 CO 0.20 0.45 1.24 1.21 -1.57 0.00 0.00 175.55 177.08 1aol s ASN 12 N -3.04 6.17 -0.19 2.29 2.47 0.89 -1.21 114.94 122.32 1aol s ASN 12 Ca 0.21 -0.55 -0.25 0.00 0.42 0.00 0.00 52.86 52.69 1aol s ASN 12 Cb -0.04 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.20 1aol s ASN 12 CO 0.09 -1.77 0.81 -0.63 -3.72 0.00 0.00 177.10 171.88 1aol s ILE 13 N 5.47 4.88 -0.14 -5.21 -1.09 0.31 -1.09 121.20 124.33 1aol s ILE 13 Ca 0.33 1.58 0.00 0.00 -2.23 0.00 0.00 60.65 60.34 1aol s ILE 13 Cb -0.09 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1aol s ILE 13 CO 0.14 0.01 -0.15 -0.89 -1.23 0.00 0.00 174.94 172.82 1aol s THR 14 N 2.28 2.74 -0.29 2.92 2.01 0.58 -0.77 115.64 125.11 1aol s THR 14 Ca 0.37 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 1aol s THR 14 Cb -0.16 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1aol s THR 14 CO 0.11 0.52 0.24 0.26 -0.69 0.00 0.00 174.62 175.06 1aol s TRP 15 N 0.63 3.23 -0.02 4.92 0.52 -0.06 -0.62 118.94 127.54 1aol s TRP 15 Ca -0.08 0.14 0.02 0.00 0.02 0.00 0.00 56.10 56.20 1aol s TRP 15 Cb -0.16 -2.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 1aol s TRP 15 CO 0.03 -0.21 -0.05 -1.21 0.02 0.00 0.00 176.95 175.53 1aol s GLU 16 N 1.84 2.67 -0.07 4.98 2.02 0.15 -1.64 118.70 128.64 1aol s GLU 16 Ca 0.09 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.47 1aol s GLU 16 Cb -0.16 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 1aol s GLU 16 CO 0.11 0.63 -0.18 0.08 0.02 0.00 0.00 175.26 175.91 1aol s VAL 17 N -0.97 2.68 0.27 2.63 1.01 0.04 -1.01 120.40 125.06 1aol s VAL 17 Ca 0.16 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.42 1aol s VAL 17 Cb -0.11 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1aol s VAL 17 CO 0.07 0.56 -0.14 0.42 0.00 0.00 0.00 175.10 176.01 1aol s THR 18 N -0.22 2.80 0.09 3.92 -4.23 0.33 -0.72 115.64 117.62 1aol s THR 18 Ca -0.00 -2.24 -0.02 0.00 -1.18 0.00 0.00 61.69 58.25 1aol s THR 18 Cb -0.13 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1aol s THR 18 CO 0.03 -0.39 0.13 -0.46 -0.54 0.00 0.00 174.62 173.39 1aol n ASN 19 N -0.71 0.02 0.06 3.99 0.23 -0.76 -1.70 115.26 116.39 1aol n ASN 19 Ca -0.06 -1.05 0.11 0.00 -0.53 0.00 0.00 54.58 53.05 1aol n ASN 19 Cb 0.60 -0.10 0.44 0.00 -2.08 0.00 0.00 39.78 38.64 1aol n ASN 19 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aol n GLY 20 N 4.15 -1.31 0.41 4.83 0.00 -1.15 -1.72 105.19 110.40 1aol n GLY 20 Ca 0.02 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1aol n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aol n ASP 21 N -1.89 1.22 -1.12 1.61 8.00 -1.26 -4.90 116.55 118.21 1aol n ASP 21 Ca 0.04 -1.70 -0.13 0.00 0.71 0.00 0.00 54.79 53.71 1aol n ASP 21 Cb 0.27 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 1aol n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1aol n ARG 22 N 0.05 -0.92 -3.69 -1.24 1.74 -0.70 -5.02 116.66 106.88 1aol n ARG 22 Ca 0.14 0.84 -0.37 0.00 -0.77 0.00 0.00 57.85 57.69 1aol n ARG 22 Cb 0.25 -4.93 -0.06 0.00 -1.02 0.00 0.00 32.46 26.69 1aol n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1aol s GLU 23 N -3.56 3.78 0.21 5.56 2.02 -1.26 -4.88 118.70 120.57 1aol s GLU 23 Ca 0.00 0.08 -0.31 0.00 0.02 0.00 0.00 54.97 54.76 1aol s GLU 23 Cb 0.00 -3.25 -0.11 0.00 0.10 0.00 0.00 34.13 30.87 1aol s GLU 23 CO 0.00 0.63 1.58 0.99 0.02 0.00 0.00 175.26 178.49 1aol s THR 24 N -0.71 2.40 0.00 3.63 2.01 -1.26 -1.83 115.64 119.88 1aol s THR 24 Ca 0.18 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1aol s THR 24 Cb -0.14 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1aol s THR 24 CO 0.07 0.03 0.00 0.55 -0.69 0.00 0.00 174.62 174.58 1aol n VAL 25 N 3.37 0.00 -3.54 3.82 3.14 0.10 -4.69 118.33 120.54 1aol n VAL 25 Ca 0.12 -0.12 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 1aol n VAL 25 Cb 0.38 0.62 -0.06 0.00 -1.06 0.00 0.00 33.84 33.72 1aol n VAL 25 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 1aol s TRP 26 N -1.74 -0.59 0.11 1.45 -0.00 -1.03 -4.42 118.94 112.72 1aol s TRP 26 Ca 0.00 0.95 -0.20 0.00 -0.00 0.00 0.00 56.10 56.85 1aol s TRP 26 Cb 0.00 0.39 0.05 0.00 -0.00 0.00 0.00 33.47 33.91 1aol s TRP 26 CO 0.00 -0.61 0.49 0.00 -0.00 0.00 0.00 176.95 176.84 1aol s ALA 27 N -1.45 -1.24 -0.02 5.86 0.00 -1.26 -0.78 121.76 122.87 1aol s ALA 27 Ca -0.10 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1aol s ALA 27 Cb -0.01 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.80 1aol s ALA 27 CO 0.07 -0.64 0.02 -1.50 0.00 0.00 0.00 175.76 173.72 1aol s ILE 28 N -3.38 -0.02 0.07 0.00 2.07 -0.65 -5.00 121.20 114.30 1aol s ILE 28 Ca -0.00 0.17 0.08 0.00 -1.41 0.00 0.00 60.65 59.49 1aol s ILE 28 Cb 0.00 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 1aol s ILE 28 CO -0.09 0.09 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.39 1aol s SER 29 N 0.93 3.74 -0.05 4.50 0.01 -1.26 -0.88 113.70 120.69 1aol s SER 29 Ca -0.08 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.38 1aol s SER 29 Cb -0.11 -0.54 0.09 0.00 0.21 0.00 0.00 66.02 65.67 1aol s SER 29 CO -0.02 0.23 0.76 -0.83 0.41 0.00 0.00 173.24 173.79 1aol s GLY 30 N -1.67 -0.50 -0.50 3.44 0.00 0.05 -4.97 107.32 103.17 1aol s GLY 30 Ca 0.15 1.38 -0.21 0.00 0.00 0.00 0.00 44.72 46.05 1aol s GLY 30 CO 0.06 0.84 0.70 -1.31 0.00 0.00 0.00 173.10 173.40 1aol s ASN 31 N -1.44 6.27 0.05 1.64 0.02 -1.25 -0.53 114.94 119.69 1aol s ASN 31 Ca -0.06 -0.67 -0.15 0.00 -1.02 0.00 0.00 52.86 50.97 1aol s ASN 31 Cb -0.00 -2.33 0.02 0.00 0.02 0.00 0.00 41.25 38.96 1aol s ASN 31 CO 0.04 -0.95 0.33 -1.00 0.02 0.00 0.00 177.10 175.54 1aol s HIS 32 N 2.98 -0.13 0.56 2.20 3.76 -0.35 -4.88 115.29 119.43 1aol s HIS 32 Ca 0.20 0.01 -0.21 0.00 -0.15 0.00 0.00 55.06 54.91 1aol s HIS 32 Cb -0.17 0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.60 1aol s HIS 32 CO 0.15 -0.52 1.35 -2.30 -0.85 0.00 0.00 174.74 172.57 1aol n PRO 33 N 0.54 1.60 -1.69 8.40 -0.02 -1.26 -0.84 135.00 141.73 1aol n PRO 33 Ca -0.18 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1aol n PRO 33 Cb 0.60 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1aol n PRO 33 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1aol n LEU 34 N -1.16 3.85 -2.39 2.45 4.77 -1.26 -2.96 117.00 120.31 1aol n LEU 34 Ca 0.11 1.08 -0.20 0.00 -0.03 0.00 0.00 56.01 56.97 1aol n LEU 34 Cb 0.45 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 1aol n LEU 34 CO 0.52 -0.81 -0.26 0.79 -1.33 0.00 0.00 177.39 176.30 1aol n TRP 35 N -0.32 -1.01 0.00 -1.77 5.03 -1.26 -4.86 117.44 113.25 1aol n TRP 35 Ca 0.07 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.60 1aol n TRP 35 Cb 0.40 -3.92 0.00 0.00 -1.03 0.00 0.00 31.31 26.76 1aol n TRP 35 CO 0.00 0.00 0.00 0.25 -0.03 0.00 0.00 177.69 177.91 1aol n THR 36 N -3.95 0.00 -3.81 -0.99 -2.24 -1.15 -5.00 114.28 97.13 1aol n THR 36 Ca -0.24 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 1aol n THR 36 Cb 0.69 0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 69.50 1aol n THR 36 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1aol s TRP 37 N -1.47 3.11 -0.48 4.78 -0.00 -1.26 -4.99 118.94 118.62 1aol s TRP 37 Ca 0.00 -1.04 0.08 0.00 -0.00 0.00 0.00 56.10 55.14 1aol s TRP 37 Cb 0.00 -2.20 0.29 0.00 -0.00 0.00 0.00 33.47 31.56 1aol s TRP 37 CO 0.00 -0.58 0.72 0.91 -0.00 0.00 0.00 176.95 178.00 1aol n TRP 38 N 4.83 1.67 -1.94 5.86 7.02 -1.26 -5.10 117.44 128.51 1aol n TRP 38 Ca -0.15 -3.86 -0.34 0.00 -1.02 0.00 0.00 57.50 52.12 1aol n TRP 38 Cb 0.48 -0.45 0.03 0.00 -2.42 0.00 0.00 31.31 28.96 1aol n TRP 38 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1aol s PRO 39 N -2.30 3.00 0.09 -0.99 0.04 -1.26 -4.69 135.00 128.89 1aol s PRO 39 Ca 0.40 1.49 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 1aol s PRO 39 Cb 0.23 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.72 1aol s PRO 39 CO -0.08 -1.11 1.68 0.08 0.04 0.00 0.00 177.00 177.61 1aol s VAL 40 N -2.11 2.91 -0.00 -0.36 1.01 -1.26 -4.66 120.40 115.92 1aol s VAL 40 Ca 0.69 0.39 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 1aol s VAL 40 Cb -0.22 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1aol s VAL 40 CO 0.36 0.00 0.54 -0.76 0.00 0.00 0.00 175.10 175.24 1aol s LEU 41 N 2.56 4.43 -0.52 3.92 1.43 0.26 -4.86 118.68 125.90 1aol s LEU 41 Ca 0.75 1.10 0.06 0.00 -1.03 0.00 0.00 54.13 55.01 1aol s LEU 41 Cb -0.41 -2.83 0.37 0.00 0.03 0.00 0.00 46.19 43.34 1aol s LEU 41 CO 0.33 0.16 0.98 0.35 0.23 0.00 0.00 176.35 178.40 1aol n THR 42 N 2.51 2.65 -2.05 5.49 -2.24 -1.26 -0.56 114.28 118.82 1aol n THR 42 Ca -0.09 -5.29 -0.36 0.00 -2.27 0.00 0.00 64.05 56.05 1aol n THR 42 Cb 0.51 -1.25 0.03 0.00 -2.10 0.00 0.00 70.33 67.52 1aol n THR 42 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1aol s PRO 43 N -3.43 3.04 0.29 -0.78 0.04 -1.26 -4.60 135.00 128.30 1aol s PRO 43 Ca 0.48 1.81 -0.28 0.00 0.04 0.00 0.00 61.00 63.04 1aol s PRO 43 Cb 0.32 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.81 1aol s PRO 43 CO -0.15 -1.15 0.98 0.34 0.04 0.00 0.00 177.00 177.07 1aol s ASP 44 N -1.60 7.39 0.29 6.66 2.15 -1.26 -0.90 116.67 129.40 1aol s ASP 44 Ca 0.77 1.99 -0.00 0.00 0.43 0.00 0.00 52.55 55.73 1aol s ASP 44 Cb -0.30 -2.60 0.49 0.00 -0.30 0.00 0.00 42.92 40.21 1aol s ASP 44 CO 0.32 -0.03 1.90 0.25 -0.17 0.00 0.00 175.17 177.44 1aol h LEU 45 N 3.61 0.95 -0.86 -1.34 5.85 -1.36 0.24 115.31 122.40 1aol h LEU 45 Ca -0.46 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 1aol h LEU 45 Cb 1.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1aol h LEU 45 CO 0.66 0.61 -0.34 0.00 -0.34 0.00 0.00 178.44 179.03 1aol h MET 47 N 0.00 0.80 -0.26 0.00 2.86 -1.35 -1.75 114.93 115.24 1aol h MET 47 Ca -0.00 -0.31 0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1aol h MET 47 Cb 0.91 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1aol h MET 47 CO 0.04 0.93 0.20 -0.07 1.06 0.00 0.00 176.91 179.08 1aol h LEU 48 N 0.71 0.00 0.00 1.22 3.38 -0.99 -1.30 115.31 118.33 1aol h LEU 48 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1aol h LEU 48 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1aol h LEU 48 CO 0.05 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.29 1aol n ALA 49 N -2.52 2.87 -1.68 1.53 0.00 -0.70 -4.20 120.51 115.80 1aol n ALA 49 Ca 0.03 -0.21 -0.46 0.00 0.00 0.00 0.00 53.44 52.81 1aol n ALA 49 Cb 0.35 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 1aol n ALA 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aol n LEU 50 N -1.70 3.61 -1.73 0.00 4.77 -0.49 0.53 117.00 121.98 1aol n LEU 50 Ca 0.06 0.99 -0.17 0.00 -0.03 0.00 0.00 56.01 56.85 1aol n LEU 50 Cb 0.37 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 1aol n LEU 50 CO 0.32 -0.02 -0.20 -0.24 -1.33 0.00 0.00 177.39 175.92 1aol n SER 51 N 5.96 -5.07 0.00 -1.43 2.88 0.75 -4.80 113.62 111.92 1aol n SER 51 Ca 0.20 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1aol n SER 51 Cb 0.33 -4.14 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 1aol n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1aol n GLY 52 N -0.96 2.63 3.67 0.46 0.00 0.19 -4.86 105.19 106.31 1aol n GLY 52 Ca -0.19 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1aol n GLY 52 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aol n PRO 53 N 0.00 1.72 0.19 1.61 -0.02 -1.26 -4.52 135.00 132.71 1aol n PRO 53 Ca 0.00 0.61 0.17 0.00 -2.02 0.00 0.00 63.50 62.26 1aol n PRO 53 Cb 0.00 -2.28 0.80 0.00 -0.02 0.00 0.00 33.50 32.00 1aol n PRO 53 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1aol h PRO 54 N 1.86 0.00 -0.80 0.52 0.13 -1.95 -2.95 132.00 128.81 1aol h PRO 54 Ca -0.47 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.80 1aol h PRO 54 Cb 1.31 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 1aol h PRO 54 CO 0.59 0.00 0.38 1.25 -0.23 0.00 0.00 178.00 179.99 1aol h HIS 55 N 0.00 0.67 0.00 1.56 -0.00 -1.93 -1.49 115.15 113.96 1aol h HIS 55 Ca 0.10 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 1aol h HIS 55 Cb 0.49 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1aol h HIS 55 CO 0.00 0.16 -0.31 -1.49 -0.00 0.00 0.00 177.93 176.28 1aol h TRP 56 N 0.57 0.00 0.00 5.26 4.06 -1.86 -3.44 115.95 120.54 1aol h TRP 56 Ca 0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.38 1aol h TRP 56 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1aol h TRP 56 CO -0.12 0.31 0.00 0.41 -3.56 0.00 0.00 178.44 175.49 1aol n GLY 57 N 0.30 0.70 1.34 1.49 0.00 -0.56 -0.84 105.19 107.61 1aol n GLY 57 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1aol n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aol n LEU 58 N 0.00 3.83 -0.03 0.99 4.77 -1.26 -4.66 117.00 120.64 1aol n LEU 58 Ca 0.00 -4.33 -0.03 0.00 -0.03 0.00 0.00 56.01 51.62 1aol n LEU 58 Cb 0.00 -0.43 0.22 0.00 -2.33 0.00 0.00 43.42 40.88 1aol n LEU 58 CO 0.00 1.76 0.84 -0.33 -1.33 0.00 0.00 177.39 178.34 1aol h GLU 59 N 1.61 0.59 -0.00 3.23 3.07 -1.81 0.23 114.58 121.50 1aol h GLU 59 Ca 0.19 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1aol h GLU 59 Cb 1.28 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1aol h GLU 59 CO 0.39 0.68 -0.37 0.66 -1.40 0.00 0.00 179.01 178.97 1aol n TYR 60 N -4.20 0.00 -3.29 4.33 4.01 -1.26 -3.98 117.16 112.76 1aol n TYR 60 Ca 0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.39 1aol n TYR 60 Cb 0.32 -0.31 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 1aol n TYR 60 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1aol s GLN 61 N -3.00 4.08 0.50 -0.72 -0.21 -0.97 -4.96 119.66 114.38 1aol s GLN 61 Ca 0.12 0.62 -0.07 0.00 0.02 0.00 0.00 55.36 56.05 1aol s GLN 61 Cb 0.18 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 1aol s GLN 61 CO 0.66 0.51 0.83 0.00 -2.12 0.00 0.00 175.29 175.16 1aol s ALA 62 N -1.38 3.35 0.32 6.09 0.00 -1.26 -2.50 121.76 126.38 1aol s ALA 62 Ca 0.36 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 1aol s ALA 62 Cb -0.16 -2.68 -0.15 0.00 0.00 0.00 0.00 23.12 20.12 1aol s ALA 62 CO 0.19 -0.38 0.52 -2.30 0.00 0.00 0.00 175.76 173.80 1aol n PRO 63 N -2.25 0.39 -1.10 0.00 -0.02 -1.26 -2.73 135.00 128.03 1aol n PRO 63 Ca 0.02 0.14 -0.04 0.00 -2.02 0.00 0.00 63.50 61.60 1aol n PRO 63 Cb 0.55 -1.29 -0.02 0.00 -0.02 0.00 0.00 33.50 32.72 1aol n PRO 63 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1aol n TYR 64 N -0.43 0.00 -2.06 6.00 4.01 -1.26 -5.02 117.16 118.40 1aol n TYR 64 Ca 0.13 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.59 1aol n TYR 64 Cb 0.33 -1.72 0.12 0.00 -0.31 0.00 0.00 39.34 37.77 1aol n TYR 64 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1aol s SER 65 N -2.20 4.11 0.47 7.72 1.04 -1.11 -5.07 113.70 118.67 1aol s SER 65 Ca 0.00 0.40 -0.17 0.00 0.48 0.00 0.00 55.95 56.67 1aol s SER 65 Cb 0.00 -0.78 -0.08 0.00 0.10 0.00 0.00 66.02 65.26 1aol s SER 65 CO 0.00 -2.09 0.94 -0.44 0.98 0.00 0.00 173.24 172.63 1aol s SER 66 N -4.68 6.69 0.15 7.02 0.01 -1.26 -5.02 113.70 116.61 1aol s SER 66 Ca 0.66 1.53 -0.34 0.00 1.31 0.00 0.00 55.95 59.11 1aol s SER 66 Cb -0.08 -2.49 -0.14 0.00 0.21 0.00 0.00 66.02 63.53 1aol s SER 66 CO 0.49 -0.50 1.58 -2.65 0.41 0.00 0.00 173.24 172.57 1aol n PRO 67 N -1.29 2.14 -1.57 12.44 -0.02 -1.26 -5.01 135.00 140.44 1aol n PRO 67 Ca 0.06 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 62.02 1aol n PRO 67 Cb 0.54 -2.54 0.18 0.00 -0.02 0.00 0.00 33.50 31.65 1aol n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1aol s PRO 68 N 0.99 0.43 0.00 0.52 0.04 -1.26 -5.03 135.00 130.69 1aol s PRO 68 Ca 0.79 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1aol s PRO 68 Cb -0.68 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1aol s PRO 68 CO 0.38 -2.62 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1aol n GLY 69 N -2.45 2.40 3.79 0.56 0.00 -1.19 -4.22 105.19 104.08 1aol n GLY 69 Ca 0.11 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1aol n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aol s PRO 70 N -3.61 3.60 0.53 1.61 0.04 -1.26 -4.93 135.00 130.97 1aol s PRO 70 Ca 0.00 1.41 -0.22 0.00 0.04 0.00 0.00 61.00 62.23 1aol s PRO 70 Cb 0.00 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1aol s PRO 70 CO 0.00 -0.61 1.37 -0.35 0.04 0.00 0.00 177.00 177.45 1aol n PRO 71 N -1.21 1.80 -2.80 0.56 -0.04 -1.26 -4.72 135.00 127.32 1aol n PRO 71 Ca 0.10 0.66 -0.34 0.00 -0.04 0.00 0.00 63.50 63.87 1aol n PRO 71 Cb 0.52 -2.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 1aol n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aol n SER 74 N -3.61 1.52 -4.74 0.00 3.41 -1.26 -4.16 113.62 104.77 1aol n SER 74 Ca -0.01 -2.07 -0.41 0.00 -0.26 0.00 0.00 58.87 56.12 1aol n SER 74 Cb 0.31 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1aol n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aol n GLY 75 N 0.72 0.92 0.37 5.00 0.00 -0.98 -4.80 105.19 106.40 1aol n GLY 75 Ca 0.08 0.26 0.16 0.00 0.00 0.00 0.00 46.02 46.53 1aol n GLY 75 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1aol h SER 76 N 2.57 0.66 -0.19 1.61 0.02 -1.87 -1.57 113.55 114.78 1aol h SER 76 Ca -0.49 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1aol h SER 76 Cb 1.27 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1aol h SER 76 CO 0.62 0.19 0.00 -1.54 -1.14 0.00 0.00 176.83 174.96 1aol n SER 77 N -4.75 1.20 0.00 3.07 3.41 -1.26 -4.99 113.62 110.30 1aol n SER 77 Ca 0.24 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1aol n SER 77 Cb 0.68 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1aol n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aol n GLY 78 N 0.93 1.56 3.64 5.00 0.00 -0.59 -5.01 105.19 110.72 1aol n GLY 78 Ca 0.11 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 1aol n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aol s SER 79 N 0.00 6.25 0.18 1.61 0.15 -1.26 -4.34 113.70 116.29 1aol s SER 79 Ca 0.00 0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.96 1aol s SER 79 Cb 0.00 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 1aol s SER 79 CO 0.00 -0.06 0.32 -0.44 1.20 0.00 0.00 173.24 174.26 1aol s SER 80 N 1.28 6.34 0.26 5.45 0.01 -1.26 -5.05 113.70 120.72 1aol s SER 80 Ca 0.13 0.18 -0.31 0.00 1.31 0.00 0.00 55.95 57.27 1aol s SER 80 Cb -0.15 -1.91 -0.12 0.00 0.21 0.00 0.00 66.02 64.05 1aol s SER 80 CO 0.08 0.01 1.58 0.00 0.41 0.00 0.00 173.24 175.31 1aol n ALA 81 N -0.78 2.27 -0.42 1.44 0.00 -1.26 -1.84 120.51 119.92 1aol n ALA 81 Ca -0.07 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1aol n ALA 81 Cb 0.55 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1aol n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aol n GLY 82 N 2.50 0.75 3.78 0.00 0.00 -1.26 -5.05 105.19 105.91 1aol n GLY 82 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1aol n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aol s SER 84 N -1.46 6.26 0.47 0.00 0.15 0.31 -4.72 113.70 114.72 1aol s SER 84 Ca 0.62 0.32 0.25 0.00 0.70 0.00 0.00 55.95 57.84 1aol s SER 84 Cb -0.26 -2.07 1.14 0.00 -1.71 0.00 0.00 66.02 63.12 1aol s SER 84 CO 0.31 0.27 1.93 -0.09 1.20 0.00 0.00 173.24 176.86 1aol h ARG 85 N 5.99 0.00 0.00 5.44 2.43 -1.95 -1.64 114.38 124.66 1aol h ARG 85 Ca -0.47 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1aol h ARG 85 Cb 1.18 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1aol h ARG 85 CO 0.69 0.19 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.79 1aol h ASP 86 N 0.00 0.00 -0.07 -3.80 5.19 -1.96 -1.72 116.42 114.06 1aol h ASP 86 Ca -0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1aol h ASP 86 Cb 0.58 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 1aol h ASP 86 CO 0.02 0.11 0.15 0.00 -3.12 0.00 0.00 179.24 176.40 1aol n ASP 88 N -3.38 2.14 -4.91 0.00 8.00 -0.65 -4.86 116.55 112.89 1aol n ASP 88 Ca -0.01 -1.57 -0.28 0.00 0.71 0.00 0.00 54.79 53.64 1aol n ASP 88 Cb 0.23 0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.57 1aol n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1aol s GLU 89 N -1.62 2.42 0.30 -1.24 0.41 -0.51 -5.00 118.70 113.46 1aol s GLU 89 Ca 0.18 0.03 -0.29 0.00 -0.41 0.00 0.00 54.97 54.47 1aol s GLU 89 Cb 0.14 -2.11 -0.13 0.00 -1.78 0.00 0.00 34.13 30.25 1aol s GLU 89 CO 0.29 -1.18 1.32 -2.30 -0.49 0.00 0.00 175.26 172.90 1aol n PRO 90 N -2.97 2.04 0.00 0.39 -0.02 -1.26 -4.90 135.00 128.28 1aol n PRO 90 Ca 0.07 0.72 0.14 0.00 -2.02 0.00 0.00 63.50 62.41 1aol n PRO 90 Cb 0.59 -2.32 0.47 0.00 -0.02 0.00 0.00 33.50 32.22 1aol n PRO 90 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1aol n LEU 91 N 1.36 1.17 -0.29 2.45 4.77 -1.26 -4.65 117.00 120.54 1aol n LEU 91 Ca 0.08 -0.34 0.05 0.00 -0.03 0.00 0.00 56.01 55.76 1aol n LEU 91 Cb 0.34 -0.07 0.14 0.00 -2.33 0.00 0.00 43.42 41.49 1aol n LEU 91 CO 0.62 0.21 0.73 0.74 -1.33 0.00 0.00 177.39 178.36 1aol h THR 92 N 1.63 0.18 0.00 -5.08 2.02 -2.00 -1.73 112.91 107.94 1aol h THR 92 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1aol h THR 92 Cb 0.48 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1aol h THR 92 CO 0.00 0.00 -0.65 -1.54 0.37 0.00 0.00 175.52 173.70 1aol n SER 93 N -5.50 0.64 -4.80 4.18 3.41 -1.26 -4.99 113.62 105.31 1aol n SER 93 Ca 0.14 -0.45 -0.33 0.00 -0.26 0.00 0.00 58.87 57.97 1aol n SER 93 Cb 0.47 0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 64.87 1aol n SER 93 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1aol s LEU 94 N -3.04 3.70 0.07 1.04 1.43 -0.65 -5.05 118.68 116.19 1aol s LEU 94 Ca 0.10 1.88 -0.24 0.00 -1.03 0.00 0.00 54.13 54.84 1aol s LEU 94 Cb 0.17 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.78 1aol s LEU 94 CO 0.75 -0.93 0.73 -0.89 0.23 0.00 0.00 176.35 176.24 1aol s THR 95 N -2.18 4.67 -0.52 5.49 2.01 -1.26 -5.01 115.64 118.84 1aol s THR 95 Ca 0.66 1.57 -0.27 0.00 0.31 0.00 0.00 61.69 63.95 1aol s THR 95 Cb -0.16 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 1aol s THR 95 CO 0.27 0.42 1.83 -2.16 -0.69 0.00 0.00 174.62 174.29 1aol s PRO 96 N -0.39 2.86 0.00 4.92 0.04 -1.26 -4.74 135.00 136.44 1aol s PRO 96 Ca 0.36 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1aol s PRO 96 Cb -0.21 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.01 1aol s PRO 96 CO 0.23 -2.44 0.00 2.89 0.04 0.00 0.00 177.00 177.72 1aol n ARG 97 N 8.91 0.00 -0.01 4.56 1.85 -1.20 -4.83 116.66 125.94 1aol n ARG 97 Ca 0.21 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 57.09 1aol n ARG 97 Cb 0.50 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.94 1aol n ARG 97 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1aol h ASN 99 N 1.13 0.00 -5.42 0.00 -1.07 -1.82 -3.41 115.58 104.99 1aol h ASN 99 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 1aol h ASN 99 Cb 0.27 0.00 -0.12 0.00 -2.07 0.00 0.00 38.32 36.40 1aol h ASN 99 CO 0.00 0.00 -0.38 0.42 0.07 0.00 0.00 177.43 177.54 1aol s THR 100 N -3.26 0.00 0.28 6.14 -4.23 -1.26 -3.16 115.64 110.15 1aol s THR 100 Ca 0.07 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1aol s THR 100 Cb 0.10 -2.35 0.13 0.00 1.34 0.00 0.00 72.50 71.72 1aol s THR 100 CO 0.54 -0.01 1.79 0.00 -0.54 0.00 0.00 174.62 176.40 1aol h ALA 101 N 2.45 1.17 0.00 3.99 0.00 -1.85 -1.73 119.26 123.29 1aol h ALA 101 Ca -0.31 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1aol h ALA 101 Cb 1.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1aol h ALA 101 CO 0.44 0.55 -0.67 0.11 0.00 0.00 0.00 179.25 179.68 1aol h TRP 102 N 0.73 0.00 -0.05 0.00 0.09 -1.89 -1.51 115.95 113.33 1aol h TRP 102 Ca 0.15 0.00 -0.17 0.00 0.09 0.00 0.00 58.89 58.96 1aol h TRP 102 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.62 1aol h TRP 102 CO 0.02 0.67 -0.71 -0.91 0.09 0.00 0.00 178.44 177.59 1aol h ASN 103 N 0.00 0.31 0.43 0.11 4.21 -1.64 -1.70 115.58 117.29 1aol h ASN 103 Ca -0.01 -0.20 -0.11 0.00 1.21 0.00 0.00 56.30 57.19 1aol h ASN 103 Cb 1.36 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 1aol h ASN 103 CO 0.09 0.92 -0.50 0.03 -1.29 0.00 0.00 177.43 176.68 1aol h ARG 104 N 0.18 0.09 -0.53 0.81 3.08 -0.92 0.18 114.38 117.27 1aol h ARG 104 Ca -0.02 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1aol h ARG 104 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1aol h ARG 104 CO 0.11 0.57 0.01 -0.07 -1.07 0.00 0.00 179.97 179.52 1aol h LEU 105 N 0.07 0.87 -0.42 3.04 3.38 -0.93 -0.45 115.31 120.86 1aol h LEU 105 Ca 0.00 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1aol h LEU 105 Cb 0.92 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1aol h LEU 105 CO 0.07 0.92 0.00 0.50 0.09 0.00 0.00 178.44 180.03 1aol h LYS 106 N 0.83 0.74 -0.78 1.13 1.63 -0.75 -0.45 116.57 118.92 1aol h LYS 106 Ca 0.16 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1aol h LYS 106 Cb 0.48 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 1aol h LYS 106 CO 0.02 0.81 0.49 1.25 -3.45 0.00 0.00 179.45 178.57 1aol h LEU 107 N 0.57 0.79 -0.75 5.20 5.85 -0.43 -0.61 115.31 125.94 1aol h LEU 107 Ca 0.12 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1aol h LEU 107 Cb 0.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1aol h LEU 107 CO 0.02 0.54 0.25 -0.78 -0.34 0.00 0.00 178.44 178.13 1aol h ASP 108 N 0.94 1.07 -0.46 1.25 3.58 -0.76 -0.40 116.42 121.63 1aol h ASP 108 Ca 0.32 -0.20 0.01 0.00 0.42 0.00 0.00 57.03 57.59 1aol h ASP 108 Cb 0.06 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 1aol h ASP 108 CO -0.13 0.98 0.29 -0.61 -2.88 0.00 0.00 179.24 176.89 1aol h GLN 109 N 1.10 0.56 -0.15 0.28 4.15 -0.34 -2.03 115.11 118.67 1aol h GLN 109 Ca 0.24 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 1aol h GLN 109 Cb 0.28 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1aol h GLN 109 CO -0.01 0.37 -0.06 0.28 -1.93 0.00 0.00 178.83 177.48 1aol h VAL 110 N 0.58 1.30 0.00 2.39 2.07 -0.71 -0.75 116.25 121.13 1aol h VAL 110 Ca 0.18 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1aol h VAL 110 Cb -0.02 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1aol h VAL 110 CO -0.06 0.31 -0.04 0.71 0.02 0.00 0.00 177.57 178.51 1aol h THR 111 N -0.01 0.34 0.00 2.57 1.35 -1.03 -0.02 112.91 116.11 1aol h THR 111 Ca 0.04 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1aol h THR 111 Cb 0.51 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1aol h THR 111 CO 0.02 0.04 -1.75 1.41 -0.25 0.00 0.00 175.52 174.99 1aol n HIS 112 N -3.50 0.00 -2.38 4.73 8.25 -0.77 -4.34 115.22 117.21 1aol n HIS 112 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1aol n HIS 112 Cb 0.14 -0.38 -0.04 0.00 1.12 0.00 0.00 29.99 30.84 1aol n HIS 112 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1aol s LYS 113 N -3.32 4.52 0.53 -0.41 2.20 -0.31 -4.91 119.74 118.04 1aol s LYS 113 Ca -0.05 1.89 0.20 0.00 -0.36 0.00 0.00 55.97 57.65 1aol s LYS 113 Cb 0.14 -3.21 1.41 0.00 -1.51 0.00 0.00 37.83 34.65 1aol s LYS 113 CO 0.85 -0.02 2.16 0.66 -0.36 0.00 0.00 175.35 178.64 1aol h SER 114 N 4.74 0.00 0.40 1.43 4.64 -1.91 0.46 113.55 123.30 1aol h SER 114 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1aol h SER 114 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1aol h SER 114 CO 0.72 0.02 -0.13 -1.54 -0.87 0.00 0.00 176.83 175.02 1aol n SER 115 N -4.29 0.48 0.00 4.97 3.41 -1.26 -4.29 113.62 112.63 1aol n SER 115 Ca -0.03 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1aol n SER 115 Cb 0.11 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1aol n SER 115 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aol n GLU 116 N -1.00 0.00 0.00 4.33 1.02 0.15 -4.94 120.64 120.19 1aol n GLU 116 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1aol n GLU 116 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 1aol n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aol n GLY 117 N 3.87 -1.38 3.16 0.62 0.00 -0.03 -4.55 105.19 106.88 1aol n GLY 117 Ca 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 1aol n GLY 117 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1aol s PHE 118 N 0.00 0.29 0.04 1.61 -0.71 -0.29 -0.23 117.98 118.69 1aol s PHE 118 Ca 0.00 -0.77 0.00 0.00 -1.04 0.00 0.00 56.93 55.13 1aol s PHE 118 Cb 0.00 -0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 1aol s PHE 118 CO 0.00 -0.49 -0.04 1.52 -1.34 0.00 0.00 175.22 174.87 1aol s TYR 119 N -3.89 0.49 -0.03 3.49 1.13 -0.25 -0.46 117.35 117.84 1aol s TYR 119 Ca 0.06 -0.75 0.06 0.00 -1.41 0.00 0.00 57.07 55.04 1aol s TYR 119 Cb 0.06 -0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 40.57 1aol s TYR 119 CO -0.10 -0.23 -0.21 0.08 -2.51 0.00 0.00 175.55 172.58 1aol s VAL 120 N -2.51 1.68 0.00 -3.49 1.01 0.50 -1.61 120.40 115.99 1aol s VAL 120 Ca -0.04 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.10 1aol s VAL 120 Cb -0.02 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1aol s VAL 120 CO -0.04 0.48 -0.19 0.00 0.00 0.00 0.00 175.10 175.35 1aol s PRO 122 N -0.63 3.84 0.00 0.00 0.04 -1.26 -0.73 135.00 136.25 1aol s PRO 122 Ca 0.07 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1aol s PRO 122 Cb -0.07 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1aol s PRO 122 CO -0.00 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1aol n GLY 123 N 0.57 1.24 0.34 0.56 0.00 0.82 -4.71 105.19 104.01 1aol n GLY 123 Ca 0.06 -1.44 0.10 0.00 0.00 0.00 0.00 46.02 44.74 1aol n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aol h SER 124 N 0.00 0.00 0.08 1.61 4.64 -1.98 0.16 113.55 118.06 1aol h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aol h SER 124 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1aol h SER 124 CO 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 1aol n HIS 125 N -2.80 0.00 -2.09 4.77 -0.00 -1.26 -4.90 115.22 108.93 1aol n HIS 125 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.36 1aol n HIS 125 Cb 0.67 -0.04 0.02 0.00 -0.00 0.00 0.00 29.99 30.64 1aol n HIS 125 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1aol s ARG 126 N -2.10 3.32 0.00 -1.40 1.70 0.04 -5.07 118.95 115.44 1aol s ARG 126 Ca 0.41 1.85 0.00 0.00 -0.47 0.00 0.00 55.73 57.52 1aol s ARG 126 Cb 0.21 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.44 1aol s ARG 126 CO 0.38 -0.93 0.00 -0.35 -1.08 0.00 0.00 175.30 173.32 1aol n PRO 127 N -1.08 0.78 0.00 3.89 -0.04 -1.26 -4.79 135.00 132.50 1aol n PRO 127 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1aol n PRO 127 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1aol n PRO 127 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1aol n ARG 128 N -0.16 0.00 0.00 0.54 1.85 -1.26 -2.66 116.66 114.97 1aol n ARG 128 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.92 1aol n ARG 128 Cb 0.00 -1.09 0.39 0.00 -1.05 0.00 0.00 32.46 30.71 1aol n ARG 128 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1aol n GLU 129 N -0.29 0.59 -0.24 2.89 -0.58 -1.26 -2.78 120.64 118.97 1aol n GLU 129 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1aol n GLU 129 Cb 0.00 -1.35 0.11 0.00 -0.57 0.00 0.00 31.44 29.64 1aol n GLU 129 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1aol h ALA 130 N 2.88 0.95 -1.11 0.62 0.00 -1.84 -2.71 119.26 118.05 1aol h ALA 130 Ca 0.00 0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.27 1aol h ALA 130 Cb 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1aol h ALA 130 CO 0.00 0.05 0.78 0.36 0.00 0.00 0.00 179.25 180.44 1aol n LYS 131 N -4.79 -0.01 0.00 0.00 -0.00 -1.12 -1.37 118.16 110.87 1aol n LYS 131 Ca 0.10 0.71 0.00 0.00 -0.00 0.00 0.00 58.31 59.12 1aol n LYS 131 Cb 0.20 -1.56 0.00 0.00 -0.00 0.00 0.00 35.03 33.68 1aol n LYS 131 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1aol n SER 132 N -3.44 0.00 0.21 -5.58 3.41 -1.24 -4.92 113.62 102.06 1aol n SER 132 Ca 0.27 -1.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.03 1aol n SER 132 Cb 1.17 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 65.77 1aol n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aol n GLY 134 N -0.23 -0.75 0.00 0.00 0.00 -1.23 -0.43 105.19 102.55 1aol n GLY 134 Ca 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1aol n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aol n GLY 135 N -0.76 1.24 0.35 -0.02 0.00 -1.26 -4.38 105.19 100.36 1aol n GLY 135 Ca 0.00 -1.98 0.17 0.00 0.00 0.00 0.00 46.02 44.21 1aol n GLY 135 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1aol h PRO 136 N 0.00 0.00 -0.30 1.61 0.11 -1.95 -0.95 132.00 130.51 1aol h PRO 136 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1aol h PRO 136 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1aol h PRO 136 CO 0.00 0.00 0.04 0.38 -0.21 0.00 0.00 178.00 178.21 1aol h ASP 137 N 0.00 0.40 -0.67 -2.05 2.03 -1.99 -0.53 116.42 113.61 1aol h ASP 137 Ca 0.15 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1aol h ASP 137 Cb 0.69 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1aol h ASP 137 CO -0.00 0.43 0.00 -1.20 -1.03 0.00 0.00 179.24 177.44 1aol n SER 138 N -4.35 3.77 -3.66 4.15 7.64 -0.45 -4.93 113.62 115.80 1aol n SER 138 Ca 0.01 -2.00 -0.27 0.00 1.01 0.00 0.00 58.87 57.62 1aol n SER 138 Cb 0.19 -0.44 0.02 0.00 -1.01 0.00 0.00 64.21 62.97 1aol n SER 138 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1aol n PHE 139 N 1.58 -2.16 -1.55 1.43 3.72 -0.21 -0.31 117.46 119.96 1aol n PHE 139 Ca 0.23 0.76 -0.17 0.00 -0.05 0.00 0.00 57.45 58.22 1aol n PHE 139 Cb 0.60 -3.84 -0.07 0.00 -0.94 0.00 0.00 39.48 35.24 1aol n PHE 139 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1aol n TYR 140 N -4.50 -0.24 -3.10 1.38 4.01 -0.69 -3.67 117.16 110.35 1aol n TYR 140 Ca 0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.52 1aol n TYR 140 Cb 0.54 -3.06 -0.04 0.00 -0.31 0.00 0.00 39.34 36.47 1aol n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aol h ALA 142 N 3.18 0.97 -2.37 0.00 0.00 -0.87 -3.46 119.26 116.71 1aol h ALA 142 Ca 0.12 -0.56 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 1aol h ALA 142 Cb 0.74 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 1aol h ALA 142 CO 0.66 0.77 -0.71 -1.12 0.00 0.00 0.00 179.25 178.84 1aol s SER 143 N -6.83 1.45 0.50 0.00 0.01 -1.26 -5.05 113.70 102.52 1aol s SER 143 Ca -0.01 -0.95 -0.22 0.00 1.31 0.00 0.00 55.95 56.07 1aol s SER 143 Cb 0.13 0.03 -0.06 0.00 0.21 0.00 0.00 66.02 66.33 1aol s SER 143 CO 0.76 -0.36 1.25 0.26 0.41 0.00 0.00 173.24 175.56 1aol s TRP 144 N -3.19 2.60 0.00 2.43 0.23 -1.26 -2.51 118.94 117.24 1aol s TRP 144 Ca 0.12 1.46 0.00 0.00 -2.03 0.00 0.00 56.10 55.65 1aol s TRP 144 Cb 0.02 -3.57 0.00 0.00 0.03 0.00 0.00 33.47 29.95 1aol s TRP 144 CO -0.02 -2.15 0.00 0.41 0.96 0.00 0.00 176.95 176.15 1aol n GLY 145 N 0.57 2.94 0.15 0.98 0.00 -1.26 -4.91 105.19 103.65 1aol n GLY 145 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1aol n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aol s GLU 147 N -3.24 4.67 0.00 0.00 1.03 -1.26 -4.26 118.70 115.64 1aol s GLU 147 Ca 0.01 1.36 0.10 0.00 0.03 0.00 0.00 54.97 56.47 1aol s GLU 147 Cb 0.10 -3.35 -0.03 0.00 -0.80 0.00 0.00 34.13 30.05 1aol s GLU 147 CO 0.74 0.31 0.58 0.25 -1.33 0.00 0.00 175.26 175.80 1aol n THR 148 N 2.49 0.00 -3.05 1.83 -2.24 0.34 -4.67 114.28 108.97 1aol n THR 148 Ca 0.00 -0.36 -0.01 0.00 -2.27 0.00 0.00 64.05 61.42 1aol n THR 148 Cb 0.49 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1aol n THR 148 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1aol n THR 149 N -0.52 0.00 0.00 4.28 -2.24 -1.14 -3.07 114.28 111.59 1aol n THR 149 Ca 0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1aol n THR 149 Cb 0.20 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1aol n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aol n GLY 150 N -0.04 1.97 3.20 3.38 0.00 -1.15 -0.37 105.19 112.18 1aol n GLY 150 Ca -0.01 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1aol n GLY 150 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1aol s ARG 151 N -1.56 2.75 0.05 1.61 3.00 0.39 -4.80 118.95 120.40 1aol s ARG 151 Ca 0.00 -2.15 -0.03 0.00 -1.00 0.00 0.00 55.73 52.54 1aol s ARG 151 Cb 0.00 -3.98 -0.02 0.00 0.00 0.00 0.00 34.95 30.95 1aol s ARG 151 CO 0.00 -1.21 0.04 0.14 0.00 0.00 0.00 175.30 174.27 1aol s VAL 152 N 0.66 0.17 0.38 7.11 -7.23 -1.24 -1.14 120.40 119.11 1aol s VAL 152 Ca 0.12 -1.43 0.20 0.00 -1.81 0.00 0.00 61.98 59.06 1aol s VAL 152 Cb -0.21 -1.20 0.20 0.00 0.56 0.00 0.00 36.38 35.73 1aol s VAL 152 CO -0.03 -0.79 1.95 0.10 -0.31 0.00 0.00 175.10 176.02 1aol h TYR 153 N 3.37 0.00 0.00 2.82 -0.00 -1.82 -1.56 116.97 119.77 1aol h TYR 153 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.40 1aol h TYR 153 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 1aol h TYR 153 CO 0.53 0.23 0.00 -2.67 -0.00 0.00 0.00 178.16 176.25 1aol n TRP 154 N -3.88 0.00 -3.56 0.10 2.14 -1.26 -4.94 117.44 106.05 1aol n TRP 154 Ca -0.02 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.34 1aol n TRP 154 Cb 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.82 1aol n TRP 154 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1aol n LYS 155 N -0.74 -0.96 -1.78 -2.67 4.76 -0.59 -4.88 118.16 111.30 1aol n LYS 155 Ca 0.10 0.39 -0.42 0.00 -2.87 0.00 0.00 58.31 55.51 1aol n LYS 155 Cb 0.05 -1.55 -0.02 0.00 -1.84 0.00 0.00 35.03 31.67 1aol n LYS 155 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1aol s PRO 156 N -4.71 4.13 0.33 1.97 0.04 -1.26 -5.01 135.00 130.48 1aol s PRO 156 Ca 0.08 2.57 0.04 0.00 0.04 0.00 0.00 61.00 63.73 1aol s PRO 156 Cb -0.04 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 1aol s PRO 156 CO 0.65 -0.64 0.32 -1.54 0.04 0.00 0.00 177.00 175.83 1aol s SER 157 N 0.59 1.39 0.01 6.66 1.04 -1.18 -3.73 113.70 118.48 1aol s SER 157 Ca 0.65 -1.67 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 1aol s SER 157 Cb -0.48 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1aol s SER 157 CO 0.46 -1.11 0.49 -0.55 0.98 0.00 0.00 173.24 173.51 1aol s SER 158 N -3.32 -0.41 0.00 7.02 0.15 -1.24 -4.77 113.70 111.13 1aol s SER 158 Ca 0.38 0.24 0.24 0.00 0.70 0.00 0.00 55.95 57.51 1aol s SER 158 Cb 0.02 0.45 0.25 0.00 -1.71 0.00 0.00 66.02 65.03 1aol s SER 158 CO 0.25 -0.63 1.28 -1.54 1.20 0.00 0.00 173.24 173.79 1aol n SER 159 N 0.69 2.47 -0.03 5.45 3.41 -1.26 -4.52 113.62 119.84 1aol n SER 159 Ca -0.19 -1.75 -0.03 0.00 -0.26 0.00 0.00 58.87 56.64 1aol n SER 159 Cb 0.59 0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.64 1aol n SER 159 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1aol n TRP 160 N 0.73 0.00 -1.27 7.33 4.27 -1.26 -4.77 117.44 122.48 1aol n TRP 160 Ca 0.13 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.43 1aol n TRP 160 Cb 0.52 -0.28 0.09 0.00 -1.36 0.00 0.00 31.31 30.29 1aol n TRP 160 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1aol s ASP 161 N -3.67 4.43 0.13 -0.67 2.15 -1.26 -4.62 116.67 113.16 1aol s ASP 161 Ca -0.03 1.88 0.24 0.00 0.43 0.00 0.00 52.55 55.07 1aol s ASP 161 Cb 0.02 -2.53 0.39 0.00 -0.30 0.00 0.00 42.92 40.50 1aol s ASP 161 CO 0.23 -2.09 1.37 -1.22 -0.17 0.00 0.00 175.17 173.29 1aol n TYR 162 N -3.46 0.60 -3.93 -5.34 4.01 -1.26 -4.22 117.16 103.56 1aol n TYR 162 Ca 0.09 0.18 -0.09 0.00 -0.16 0.00 0.00 57.90 57.92 1aol n TYR 162 Cb 0.53 -0.69 -0.09 0.00 -0.31 0.00 0.00 39.34 38.77 1aol n TYR 162 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1aol s ILE 163 N -3.16 0.14 0.09 -0.72 -4.36 -1.26 -1.33 121.20 110.60 1aol s ILE 163 Ca 0.07 -1.12 0.05 0.00 -0.26 0.00 0.00 60.65 59.39 1aol s ILE 163 Cb 0.13 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.89 1aol s ILE 163 CO 0.71 -0.62 -0.04 0.42 0.24 0.00 0.00 174.94 175.65 1aol s THR 164 N -2.67 3.78 -0.02 8.37 -4.23 0.05 -4.83 115.64 116.09 1aol s THR 164 Ca -0.04 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1aol s THR 164 Cb -0.01 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1aol s THR 164 CO -0.05 0.13 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.40 1aol s VAL 165 N -1.26 0.66 0.31 2.29 1.01 -1.26 -1.23 120.40 120.92 1aol s VAL 165 Ca 0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1aol s VAL 165 Cb -0.11 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1aol s VAL 165 CO 0.16 0.21 0.42 -0.62 0.00 0.00 0.00 175.10 175.28 1aol s ASP 166 N 0.23 0.76 0.24 3.32 2.15 -0.38 -2.94 116.67 120.05 1aol s ASP 166 Ca -0.03 -1.42 -0.30 0.00 0.43 0.00 0.00 52.55 51.23 1aol s ASP 166 Cb -0.08 0.61 -0.09 0.00 -0.30 0.00 0.00 42.92 43.06 1aol s ASP 166 CO 0.00 -1.21 1.00 0.20 -0.17 0.00 0.00 175.17 175.00 1aol s ASN 167 N -3.21 7.49 0.13 -0.34 0.01 -1.26 -0.09 114.94 117.68 1aol s ASN 167 Ca 0.31 2.05 0.10 0.00 -0.71 0.00 0.00 52.86 54.62 1aol s ASN 167 Cb 0.01 -2.61 -0.14 0.00 0.41 0.00 0.00 41.25 38.91 1aol s ASN 167 CO 0.18 0.03 1.22 -1.13 -1.51 0.00 0.00 177.10 175.89 1aol h ASN 168 N 4.18 0.00 -3.02 -1.22 -1.24 -0.84 -3.40 115.58 110.04 1aol h ASN 168 Ca -0.45 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 55.91 1aol h ASN 168 Cb 1.21 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 40.08 1aol h ASN 168 CO 0.68 0.86 -0.80 -0.76 -1.29 0.00 0.00 177.43 176.13 1aol s LEU 169 N -6.53 2.55 0.72 0.34 1.43 -1.26 -4.97 118.68 110.96 1aol s LEU 169 Ca 0.01 -0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 52.18 1aol s LEU 169 Cb 0.09 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 45.11 1aol s LEU 169 CO 0.80 0.11 1.06 0.42 0.23 0.00 0.00 176.35 178.97 1aol s THR 170 N -1.80 2.75 0.20 5.49 -4.23 -1.26 -4.88 115.64 111.91 1aol s THR 170 Ca 0.23 0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 1aol s THR 170 Cb -0.08 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.68 1aol s THR 170 CO 0.12 -0.24 1.72 0.71 -0.54 0.00 0.00 174.62 176.38 1aol h THR 171 N -0.67 1.26 -0.26 3.99 1.35 -1.98 -0.62 112.91 115.99 1aol h THR 171 Ca -0.45 -0.99 -0.01 0.00 -0.55 0.00 0.00 66.41 64.41 1aol h THR 171 Cb 1.29 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1aol h THR 171 CO 0.63 0.38 0.12 0.77 -0.25 0.00 0.00 175.52 177.16 1aol h SER 172 N 1.08 0.32 0.66 5.36 4.64 -2.01 0.20 113.55 123.79 1aol h SER 172 Ca 0.22 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.30 1aol h SER 172 Cb 0.38 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1aol h SER 172 CO 0.00 0.28 -0.98 1.56 -0.87 0.00 0.00 176.83 176.82 1aol h GLN 173 N 0.36 0.18 0.00 4.77 4.20 -1.84 -3.34 115.11 119.44 1aol h GLN 173 Ca 0.09 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.43 1aol h GLN 173 Cb 0.06 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1aol h GLN 173 CO -0.01 1.02 -0.67 0.00 -0.67 0.00 0.00 178.83 178.50 1aol h ALA 174 N 0.88 0.59 -0.39 3.87 0.00 0.59 -3.38 119.26 121.41 1aol h ALA 174 Ca -0.06 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.32 1aol h ALA 174 Cb 1.66 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 1aol h ALA 174 CO 0.15 0.80 0.07 0.28 0.00 0.00 0.00 179.25 180.56 1aol h VAL 175 N 0.00 0.79 0.00 0.00 2.07 -0.83 -0.77 116.25 117.50 1aol h VAL 175 Ca -0.01 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1aol h VAL 175 Cb 1.50 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1aol h VAL 175 CO 0.08 0.04 -0.29 -0.61 0.02 0.00 0.00 177.57 176.81 1aol h GLN 176 N 0.20 0.00 -0.32 1.57 5.75 -1.81 -0.89 115.11 119.61 1aol h GLN 176 Ca 0.19 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.61 1aol h GLN 176 Cb 0.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1aol h GLN 176 CO -0.26 0.29 -0.11 0.28 -2.65 0.00 0.00 178.83 176.38 1aol h VAL 177 N 0.00 1.29 -0.55 2.39 2.07 -1.43 -0.22 116.25 119.79 1aol h VAL 177 Ca -0.00 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 1aol h VAL 177 Cb 0.97 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1aol h VAL 177 CO 0.04 0.38 0.03 0.00 0.02 0.00 0.00 177.57 178.04 1aol h LYS 179 N 0.84 0.00 -0.13 0.00 1.57 -0.98 0.92 116.57 118.79 1aol h LYS 179 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1aol h LYS 179 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1aol h LYS 179 CO 0.02 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.65 1aol n ASP 180 N -2.76 1.04 -3.10 0.86 9.92 -0.11 -3.72 116.55 118.68 1aol n ASP 180 Ca 0.00 -1.70 -0.23 0.00 -0.53 0.00 0.00 54.79 52.34 1aol n ASP 180 Cb 0.23 -0.08 0.04 0.00 -0.64 0.00 0.00 41.12 40.67 1aol n ASP 180 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1aol n ASN 181 N -0.06 -6.21 -4.93 -2.24 5.15 0.32 -4.97 115.26 102.32 1aol n ASN 181 Ca 0.13 -0.33 -0.21 0.00 -0.60 0.00 0.00 54.58 53.57 1aol n ASN 181 Cb 0.21 -4.99 -0.03 0.00 -0.53 0.00 0.00 39.78 34.45 1aol n ASN 181 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1aol s LYS 182 N -5.80 3.23 0.23 1.20 1.02 -0.98 -4.68 119.74 113.96 1aol s LYS 182 Ca 0.35 -0.89 -0.31 0.00 0.02 0.00 0.00 55.97 55.13 1aol s LYS 182 Cb -0.15 -2.77 -0.12 0.00 -0.52 0.00 0.00 37.83 34.26 1aol s LYS 182 CO 0.43 0.37 1.69 0.91 -0.92 0.00 0.00 175.35 177.83 1aol n TRP 183 N -1.37 2.79 -1.94 3.18 5.03 -1.26 -4.36 117.44 119.51 1aol n TRP 183 Ca -0.07 0.10 0.00 0.00 3.03 0.00 0.00 57.50 60.55 1aol n TRP 183 Cb 0.57 -2.65 0.00 0.00 -1.03 0.00 0.00 31.31 28.20 1aol n TRP 183 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1aol n ASN 185 N -0.01 4.50 -4.76 0.00 3.02 -1.26 -4.84 115.26 111.90 1aol n ASN 185 Ca 0.00 -3.65 -0.39 0.00 -0.03 0.00 0.00 54.58 50.51 1aol n ASN 185 Cb 0.69 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 39.20 1aol n ASN 185 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1aol s PRO 186 N -3.36 4.65 0.25 3.52 0.04 -1.26 -0.90 135.00 137.94 1aol s PRO 186 Ca 0.47 1.52 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 1aol s PRO 186 Cb 0.26 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 1aol s PRO 186 CO -0.12 0.30 0.50 -0.51 0.04 0.00 0.00 177.00 177.21 1aol s LEU 187 N -1.66 4.12 -0.26 -3.56 1.43 -0.08 -0.29 118.68 118.38 1aol s LEU 187 Ca 0.46 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 1aol s LEU 187 Cb -0.25 -3.43 0.05 0.00 0.03 0.00 0.00 46.19 42.59 1aol s LEU 187 CO 0.31 -0.13 -0.08 0.00 0.23 0.00 0.00 176.35 176.68 1aol s ALA 188 N -1.99 2.63 -0.30 4.21 0.00 0.87 -4.09 121.76 123.10 1aol s ALA 188 Ca 0.42 -1.68 -0.05 0.00 0.00 0.00 0.00 51.96 50.65 1aol s ALA 188 Cb -0.11 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1aol s ALA 188 CO 0.29 -1.09 0.05 0.42 0.00 0.00 0.00 175.76 175.43 1aol s ILE 189 N 1.19 3.63 -0.05 0.00 1.01 0.27 -1.25 121.20 125.99 1aol s ILE 189 Ca -0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1aol s ILE 189 Cb -0.19 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1aol s ILE 189 CO -0.05 0.02 0.04 -1.10 0.00 0.00 0.00 174.94 173.86 1aol s GLN 190 N 1.42 3.03 0.09 2.79 -0.21 -0.37 -0.58 119.66 125.84 1aol s GLN 190 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 55.36 54.65 1aol s GLN 190 Cb -0.18 -2.84 -0.06 0.00 1.00 0.00 0.00 33.01 30.93 1aol s GLN 190 CO 0.01 0.68 1.10 -0.06 -2.12 0.00 0.00 175.29 174.90 1aol s PHE 191 N -1.03 3.57 0.75 0.91 0.08 -1.26 -0.77 117.98 120.23 1aol s PHE 191 Ca 0.17 1.53 -0.08 0.00 0.12 0.00 0.00 56.93 58.67 1aol s PHE 191 Cb -0.12 -3.27 0.08 0.00 -0.57 0.00 0.00 43.02 39.14 1aol s PHE 191 CO 0.07 -0.64 1.08 0.95 -0.10 0.00 0.00 175.22 176.58 1aol s THR 192 N 0.52 2.18 0.32 0.64 -4.23 -0.44 -4.86 115.64 109.76 1aol s THR 192 Ca 0.53 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.88 1aol s THR 192 Cb -0.27 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.71 1aol s THR 192 CO 0.31 0.00 1.82 0.78 -0.54 0.00 0.00 174.62 176.99 1aol h ASN 193 N -0.78 0.50 -0.38 3.99 2.35 -1.90 -0.06 115.58 119.30 1aol h ASN 193 Ca -0.44 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.07 1aol h ASN 193 Cb 1.31 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1aol h ASN 193 CO 0.59 0.63 -0.21 0.00 -1.65 0.00 0.00 177.43 176.79 1aol h ALA 194 N 1.43 0.53 -0.68 -0.83 0.00 -1.86 -2.77 119.26 115.08 1aol h ALA 194 Ca 0.09 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1aol h ALA 194 Cb 0.45 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1aol h ALA 194 CO 0.02 0.49 0.45 0.78 0.00 0.00 0.00 179.25 181.00 1aol h GLY 195 N 0.60 0.96 2.00 0.00 0.00 -1.53 -1.31 103.07 103.79 1aol h GLY 195 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1aol h GLY 195 CO 0.06 0.34 0.00 0.50 0.00 0.00 0.00 176.54 177.44 1aol h LYS 196 N 0.91 0.00 0.00 4.80 1.57 -0.76 -2.09 116.57 120.99 1aol h LYS 196 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1aol h LYS 196 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1aol h LYS 196 CO -0.06 0.00 -0.80 1.04 -0.57 0.00 0.00 179.45 179.06 1aol n GLN 197 N -2.32 0.25 -3.38 3.15 1.13 -0.51 -4.91 117.38 110.80 1aol n GLN 197 Ca 0.02 0.03 -0.31 0.00 -1.94 0.00 0.00 57.00 54.81 1aol n GLN 197 Cb 0.23 -1.62 -0.04 0.00 0.11 0.00 0.00 30.24 28.92 1aol n GLN 197 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1aol s VAL 198 N -3.16 4.97 -0.81 5.09 -7.23 -0.79 -4.95 120.40 113.53 1aol s VAL 198 Ca 0.06 0.32 0.07 0.00 -1.81 0.00 0.00 61.98 60.61 1aol s VAL 198 Cb 0.14 -3.66 0.05 0.00 0.56 0.00 0.00 36.38 33.48 1aol s VAL 198 CO 0.76 -0.17 0.72 1.07 -0.31 0.00 0.00 175.10 177.17 1aol n THR 199 N -0.44 0.02 1.80 5.32 5.66 -1.26 -4.59 114.28 120.80 1aol n THR 199 Ca -0.00 -0.51 0.02 0.00 -3.05 0.00 0.00 64.05 60.51 1aol n THR 199 Cb 0.53 1.12 0.10 0.00 -1.55 0.00 0.00 70.33 70.53 1aol n THR 199 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1aol n SER 200 N 0.36 0.34 0.33 1.09 3.41 -1.26 -4.38 113.62 113.51 1aol n SER 200 Ca 0.04 -1.93 0.20 0.00 -0.26 0.00 0.00 58.87 56.92 1aol n SER 200 Cb 0.17 -0.04 1.04 0.00 -0.26 0.00 0.00 64.21 65.12 1aol n SER 200 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1aol h TRP 201 N 0.38 0.00 0.00 7.33 4.06 -1.93 -0.25 115.95 125.54 1aol h TRP 201 Ca 0.00 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.84 1aol h TRP 201 Cb 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 1aol h TRP 201 CO 0.04 0.00 -0.54 1.79 -3.56 0.00 0.00 178.44 176.17 1aol h THR 202 N 0.00 1.32 0.05 1.49 1.35 -1.76 0.13 112.91 115.48 1aol h THR 202 Ca 0.01 -1.88 -0.24 0.00 -0.55 0.00 0.00 66.41 63.75 1aol h THR 202 Cb 0.29 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 1aol h THR 202 CO -0.00 0.53 -1.13 0.71 -0.25 0.00 0.00 175.52 175.37 1aol h THR 203 N 0.00 1.59 0.00 6.82 1.35 -1.36 -3.42 112.91 117.88 1aol h THR 203 Ca -0.01 -3.25 0.00 0.00 -0.55 0.00 0.00 66.41 62.60 1aol h THR 203 Cb 0.99 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1aol h THR 203 CO 0.07 0.92 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 1aol n GLY 204 N 1.43 1.75 3.43 5.82 0.00 -0.94 -4.96 105.19 111.72 1aol n GLY 204 Ca -0.04 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 1aol n GLY 204 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aol s HIS 205 N -1.97 2.30 0.17 1.61 3.76 0.31 -4.95 115.29 116.52 1aol s HIS 205 Ca 0.00 -0.35 0.10 0.00 -0.15 0.00 0.00 55.06 54.65 1aol s HIS 205 Cb 0.00 -1.12 -0.04 0.00 1.11 0.00 0.00 32.58 32.53 1aol s HIS 205 CO 0.00 0.53 -0.21 0.71 -0.85 0.00 0.00 174.74 174.92 1aol s TYR 206 N -1.79 1.99 0.10 1.40 2.02 -1.26 -1.11 117.35 118.70 1aol s TYR 206 Ca 0.22 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1aol s TYR 206 Cb -0.07 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 1aol s TYR 206 CO 0.11 0.38 0.10 -1.58 -1.57 0.00 0.00 175.55 172.98 1aol s TRP 207 N -1.80 0.55 0.09 2.71 0.51 -0.46 -0.13 118.94 120.41 1aol s TRP 207 Ca 0.16 -0.98 0.07 0.00 -2.12 0.00 0.00 56.10 53.23 1aol s TRP 207 Cb -0.07 -0.30 -0.04 0.00 -0.81 0.00 0.00 33.47 32.25 1aol s TRP 207 CO 0.07 -0.52 -0.10 0.20 -0.51 0.00 0.00 176.95 176.10 1aol s GLY 208 N -2.96 1.78 0.00 0.98 0.00 0.09 -1.04 107.32 106.17 1aol s GLY 208 Ca 0.14 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.67 1aol s GLY 208 CO -0.04 -1.19 -0.08 -2.27 0.00 0.00 0.00 173.10 169.52 1aol s LEU 209 N -2.10 2.04 -0.02 0.66 0.20 0.15 -1.19 118.68 118.43 1aol s LEU 209 Ca 0.21 -0.19 -0.01 0.00 0.69 0.00 0.00 54.13 54.82 1aol s LEU 209 Cb -0.11 -0.39 0.01 0.00 -0.43 0.00 0.00 46.19 45.27 1aol s LEU 209 CO 0.13 0.07 0.05 -0.13 -0.29 0.00 0.00 176.35 176.18 1aol s ARG 210 N -0.36 0.04 0.44 1.98 0.52 -0.64 -1.20 118.95 119.75 1aol s ARG 210 Ca 0.02 0.11 -0.23 0.00 -0.52 0.00 0.00 55.73 55.11 1aol s ARG 210 Cb -0.04 -0.03 -0.08 0.00 0.52 0.00 0.00 34.95 35.32 1aol s ARG 210 CO -0.00 -0.04 1.09 -0.51 0.02 0.00 0.00 175.30 175.86 1aol s LEU 211 N 0.27 4.03 -0.83 2.53 1.43 -0.25 -1.09 118.68 124.76 1aol s LEU 211 Ca -0.02 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1aol s LEU 211 Cb -0.03 -4.29 0.22 0.00 0.03 0.00 0.00 46.19 42.12 1aol s LEU 211 CO -0.01 -0.72 0.76 -0.47 0.23 0.00 0.00 176.35 176.14 1aol s TYR 212 N -1.68 3.78 -0.13 0.29 5.04 0.68 -4.11 117.35 121.21 1aol s TYR 212 Ca 0.62 -2.17 -0.14 0.00 -2.44 0.00 0.00 57.07 52.94 1aol s TYR 212 Cb -0.23 -3.74 0.04 0.00 0.35 0.00 0.00 41.96 38.38 1aol s TYR 212 CO 0.29 -0.96 0.39 0.14 -1.34 0.00 0.00 175.55 174.07 1aol s VAL 213 N -0.04 0.01 -1.57 3.14 -7.23 -1.26 -4.07 120.40 109.38 1aol s VAL 213 Ca 0.19 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 1aol s VAL 213 Cb -0.11 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.25 1aol s VAL 213 CO -0.08 -0.03 0.00 -1.20 -0.31 0.00 0.00 175.10 173.48 1aol n SER 214 N 2.64 -4.54 -1.13 4.85 7.64 -1.26 -1.67 113.62 120.15 1aol n SER 214 Ca -0.14 0.26 -0.15 0.00 1.01 0.00 0.00 58.87 59.85 1aol n SER 214 Cb 0.57 -3.97 -0.06 0.00 -1.01 0.00 0.00 64.21 59.74 1aol n SER 214 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aol n GLY 215 N -0.59 1.42 0.04 0.23 0.00 -1.26 -4.78 105.19 100.25 1aol n GLY 215 Ca -0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1aol n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aol n ARG 216 N -1.56 0.67 -3.65 1.61 1.74 -0.67 -5.07 116.66 109.73 1aol n ARG 216 Ca -0.15 0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.74 1aol n ARG 216 Cb 0.61 -1.15 0.01 0.00 -1.02 0.00 0.00 32.46 30.91 1aol n ARG 216 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1aol n ASP 217 N -2.63 -5.48 -4.74 0.55 9.92 -0.76 -4.88 116.55 108.54 1aol n ASP 217 Ca -0.12 -0.82 -0.42 0.00 -0.53 0.00 0.00 54.79 52.90 1aol n ASP 217 Cb 0.65 -2.70 -0.01 0.00 -0.64 0.00 0.00 41.12 38.42 1aol n ASP 217 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1aol n PRO 218 N -2.93 2.51 -2.79 -0.24 -0.04 -1.26 -4.45 135.00 125.80 1aol n PRO 218 Ca -0.20 0.89 -0.08 0.00 -0.04 0.00 0.00 63.50 64.07 1aol n PRO 218 Cb 0.62 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 1aol n PRO 218 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aol n GLY 219 N 1.27 3.74 3.79 0.55 0.00 -1.26 -1.09 105.19 112.19 1aol n GLY 219 Ca 0.05 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 1aol n GLY 219 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1aol s LEU 220 N 0.00 -0.13 0.25 0.99 0.05 -0.34 -4.78 118.68 114.72 1aol s LEU 220 Ca 0.10 -0.52 0.10 0.00 0.05 0.00 0.00 54.13 53.85 1aol s LEU 220 Cb 0.00 2.21 -0.05 0.00 -2.05 0.00 0.00 46.19 46.31 1aol s LEU 220 CO 0.07 -0.99 -0.16 0.42 -0.55 0.00 0.00 176.35 175.14 1aol s THR 221 N -3.01 2.06 0.21 5.48 -4.23 -1.26 -0.67 115.64 114.22 1aol s THR 221 Ca 0.14 -2.29 -0.13 0.00 -1.18 0.00 0.00 61.69 58.24 1aol s THR 221 Cb -0.02 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1aol s THR 221 CO 0.04 -0.48 0.43 0.72 -0.54 0.00 0.00 174.62 174.79 1aol s PHE 222 N -2.77 0.24 0.17 3.99 -0.71 -0.21 -2.92 117.98 115.77 1aol s PHE 222 Ca 0.27 -0.60 0.01 0.00 -1.04 0.00 0.00 56.93 55.57 1aol s PHE 222 Cb -0.02 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 1aol s PHE 222 CO 0.11 -0.88 0.02 0.20 -1.34 0.00 0.00 175.22 173.33 1aol s GLY 223 N -2.96 1.19 -0.05 1.99 0.00 -0.69 -1.35 107.32 105.44 1aol s GLY 223 Ca 0.17 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1aol s GLY 223 CO 0.03 -1.48 -0.09 -0.42 0.00 0.00 0.00 173.10 171.14 1aol s ILE 224 N -3.78 0.85 0.05 0.90 1.01 -0.27 -0.51 121.20 119.45 1aol s ILE 224 Ca 0.25 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 1aol s ILE 224 Cb 0.07 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 1aol s ILE 224 CO 0.04 0.29 0.15 0.00 0.00 0.00 0.00 174.94 175.42 1aol s ARG 225 N 0.71 0.69 -0.04 2.79 1.70 -0.18 -0.53 118.95 124.10 1aol s ARG 225 Ca -0.12 -0.79 0.01 0.00 -0.47 0.00 0.00 55.73 54.35 1aol s ARG 225 Cb -0.15 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.48 1aol s ARG 225 CO 0.02 -0.19 -0.01 -1.17 -1.08 0.00 0.00 175.30 172.86 1aol s LEU 226 N -2.35 3.45 0.04 -1.89 2.96 0.40 -0.67 118.68 120.61 1aol s LEU 226 Ca -0.02 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 1aol s LEU 226 Cb 0.01 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1aol s LEU 226 CO -0.06 0.32 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.07 1aol s ARG 227 N -1.24 0.62 -0.03 1.98 1.81 0.21 -4.20 118.95 118.11 1aol s ARG 227 Ca 0.16 -0.67 -0.08 0.00 -1.72 0.00 0.00 55.73 53.43 1aol s ARG 227 Cb -0.11 -0.50 0.01 0.00 -0.45 0.00 0.00 34.95 33.89 1aol s ARG 227 CO 0.06 0.11 0.17 1.52 -0.68 0.00 0.00 175.30 176.49 1aol s TYR 228 N -1.02 -0.08 0.03 -0.53 1.13 -1.26 -0.31 117.35 115.32 1aol s TYR 228 Ca -0.05 0.16 0.01 0.00 -1.41 0.00 0.00 57.07 55.79 1aol s TYR 228 Cb -0.08 0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.77 1aol s TYR 228 CO 0.01 -0.22 -0.05 1.14 -2.51 0.00 0.00 175.55 173.92 1aol s GLN 229 N -0.77 0.44 0.86 -3.49 -2.07 -0.25 -4.95 119.66 109.43 1aol s GLN 229 Ca -0.09 -0.75 -0.11 0.00 -1.82 0.00 0.00 55.36 52.59 1aol s GLN 229 Cb -0.05 -0.05 0.11 0.00 -1.09 0.00 0.00 33.01 31.93 1aol s GLN 229 CO 0.01 -0.01 1.16 -0.80 -1.32 0.00 0.00 175.29 174.33 1aol s ASN 230 N -1.70 3.30 0.02 12.60 0.01 -1.26 -0.08 114.94 127.83 1aol s ASN 230 Ca -0.11 2.23 0.01 0.00 -0.71 0.00 0.00 52.86 54.29 1aol s ASN 230 Cb -0.08 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 1aol s ASN 230 CO -0.01 -2.85 -0.05 -0.76 -1.51 0.00 0.00 177.10 171.92 1aol s LEU 231 N -6.20 2.13 0.00 0.60 1.43 -1.26 -4.65 118.68 110.74 1aol s LEU 231 Ca 0.69 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1aol s LEU 231 Cb -0.25 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 45.85 1aol s LEU 231 CO 0.55 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.64 1aol n GLY 232 N 2.24 0.48 0.34 -3.19 0.00 -1.26 -4.05 105.19 99.75 1aol n GLY 232 Ca -0.18 -0.88 0.18 0.00 0.00 0.00 0.00 46.02 45.14 1aol n GLY 232 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1aol h PRO 233 N 0.00 0.00 0.00 1.61 0.11 -2.01 -0.33 132.00 131.38 1aol h PRO 233 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1aol h PRO 233 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1aol h PRO 233 CO 0.00 0.00 -0.05 0.54 -0.21 0.00 0.00 178.00 178.28 1aol n ARG 234 N -3.36 0.16 -2.48 1.05 1.74 -1.26 -4.64 116.66 107.86 1aol n ARG 234 Ca -0.00 0.12 -0.43 0.00 -0.77 0.00 0.00 57.85 56.77 1aol n ARG 234 Cb 0.30 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 1aol n ARG 234 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1aol s VAL 235 N -3.06 4.33 -2.00 1.55 1.01 -0.14 -4.93 120.40 117.17 1aol s VAL 235 Ca 0.12 1.58 0.03 0.00 0.00 0.00 0.00 61.98 63.71 1aol s VAL 235 Cb 0.15 -4.13 0.09 0.00 0.00 0.00 0.00 36.38 32.50 1aol s VAL 235 CO 0.58 -0.26 0.68 -0.81 0.00 0.00 0.00 175.10 175.29