#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a71 s SER 13 N 0.00 5.52 0.41 1.96 0.01 -0.33 -4.82 113.70 116.44 2a71 s SER 13 Ca 0.00 0.34 0.28 0.00 1.31 0.00 0.00 55.95 57.89 2a71 s SER 13 Cb 0.00 -2.53 1.08 0.00 0.21 0.00 0.00 66.02 64.78 2a71 s SER 13 CO 0.00 -2.18 1.83 0.77 0.41 0.00 0.00 173.24 174.07 2a71 h SER 14 N 13.82 0.00 0.89 2.44 4.64 -1.94 -2.87 113.55 130.52 2a71 h SER 14 Ca -0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 2a71 h SER 14 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2a71 h SER 14 CO 1.20 0.00 -0.24 0.44 -0.87 0.00 0.00 176.83 177.36 2a71 h ASP 15 N 0.00 0.00 -0.18 4.97 5.19 -1.93 -3.14 116.42 121.33 2a71 h ASP 15 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2a71 h ASP 15 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2a71 h ASP 15 CO 0.00 0.24 0.00 -1.22 -3.12 0.00 0.00 179.24 175.14 2a71 n TYR 16 N -3.42 0.39 -3.65 4.55 4.01 -1.10 -4.95 117.16 112.99 2a71 n TYR 16 Ca -0.00 -0.67 -0.22 0.00 -0.16 0.00 0.00 57.90 56.85 2a71 n TYR 16 Cb 0.43 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.31 2a71 n TYR 16 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2a71 s SER 17 N -1.54 4.94 -0.22 7.72 0.01 -1.15 -4.40 113.70 119.06 2a71 s SER 17 Ca 0.23 -0.83 -0.14 0.00 1.31 0.00 0.00 55.95 56.53 2a71 s SER 17 Cb 0.17 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 2a71 s SER 17 CO 0.08 -0.69 0.31 -0.22 0.41 0.00 0.00 173.24 173.13 2a71 s LEU 18 N -4.12 4.13 0.94 2.44 2.96 0.16 -4.98 118.68 120.20 2a71 s LEU 18 Ca 0.46 0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 54.60 2a71 s LEU 18 Cb -0.02 -2.36 0.15 0.00 0.50 0.00 0.00 46.19 44.46 2a71 s LEU 18 CO 0.27 -0.04 1.11 -2.84 -1.32 0.00 0.00 176.35 173.53 2a71 s PRO 19 N 1.30 0.94 0.15 0.98 0.02 -1.26 -4.40 135.00 132.73 2a71 s PRO 19 Ca 0.15 0.48 -0.34 0.00 0.02 0.00 0.00 61.00 61.30 2a71 s PRO 19 Cb -0.14 -1.80 -0.14 0.00 0.02 0.00 0.00 34.50 32.43 2a71 s PRO 19 CO 0.07 -2.37 1.54 -3.47 -0.33 0.00 0.00 177.00 172.44 2a71 n ASP 20 N -3.92 2.87 0.01 2.53 4.64 -1.26 -4.85 116.55 116.57 2a71 n ASP 20 Ca 0.06 1.09 0.11 0.00 -1.38 0.00 0.00 54.79 54.67 2a71 n ASP 20 Cb 0.58 -1.39 0.01 0.00 -1.04 0.00 0.00 41.12 39.28 2a71 n ASP 20 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2a71 n LEU 21 N 3.28 0.71 -4.70 -2.67 4.77 -1.26 -4.89 117.00 112.25 2a71 n LEU 21 Ca 0.17 -0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 2a71 n LEU 21 Cb 0.27 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2a71 n LEU 21 CO 0.63 0.15 0.96 -0.51 -1.33 0.00 0.00 177.39 177.29 2a71 s ILE 22 N -3.08 4.03 -0.90 -0.08 1.10 -1.26 -3.17 121.20 117.83 2a71 s ILE 22 Ca 0.07 1.42 -0.02 0.00 -0.51 0.00 0.00 60.65 61.60 2a71 s ILE 22 Cb 0.16 -3.91 -0.02 0.00 0.15 0.00 0.00 42.46 38.84 2a71 s ILE 22 CO 0.81 0.04 0.77 -3.20 -2.11 0.00 0.00 174.94 171.25 2a71 n ASN 23 N 4.73 -3.55 -4.06 4.50 5.15 -1.26 -5.00 115.26 115.76 2a71 n ASN 23 Ca 0.11 -0.52 -0.23 0.00 -0.60 0.00 0.00 54.58 53.33 2a71 n ASN 23 Cb 0.46 -4.20 -0.16 0.00 -0.53 0.00 0.00 39.78 35.34 2a71 n ASN 23 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2a71 s THR 24 N -3.30 1.11 -0.16 -0.44 2.01 -1.19 -5.08 115.64 108.59 2a71 s THR 24 Ca 0.15 -0.53 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 2a71 s THR 24 Cb -0.02 -0.97 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 2a71 s THR 24 CO 0.58 0.33 0.02 -0.09 -0.69 0.00 0.00 174.62 174.77 2a71 h ARG 25 N 6.39 0.00 -6.14 4.92 2.43 -1.97 -3.47 114.38 116.55 2a71 h ARG 25 Ca -0.33 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.32 2a71 h ARG 25 Cb 1.17 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 2a71 h ARG 25 CO 0.48 0.36 -0.49 0.21 -1.51 0.00 0.00 179.97 179.02 2a71 s LYS 26 N -2.19 3.25 0.25 0.20 2.20 -1.26 -4.95 119.74 117.24 2a71 s LYS 26 Ca -0.17 -0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 54.37 2a71 s LYS 26 Cb 0.03 -2.82 -0.11 0.00 -1.51 0.00 0.00 37.83 33.42 2a71 s LYS 26 CO 0.33 0.47 1.61 0.08 -0.36 0.00 0.00 175.35 177.48 2a71 s VAL 27 N -1.86 2.19 0.43 4.02 1.01 -1.26 -4.95 120.40 119.97 2a71 s VAL 27 Ca 0.33 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.22 2a71 s VAL 27 Cb -0.10 -3.09 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 2a71 s VAL 27 CO 0.27 0.02 1.13 -2.65 0.00 0.00 0.00 175.10 173.87 2a71 n PRO 28 N 2.90 1.60 -0.23 2.72 -0.02 -1.26 -4.87 135.00 135.83 2a71 n PRO 28 Ca 0.11 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 2a71 n PRO 28 Cb 0.37 -2.21 0.40 0.00 -0.02 0.00 0.00 33.50 32.05 2a71 n PRO 28 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2a71 h ASN 29 N 1.75 0.60 0.79 2.55 2.35 -2.02 -1.50 115.58 120.10 2a71 h ASN 29 Ca -0.46 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2a71 h ASN 29 Cb 1.32 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2a71 h ASN 29 CO 0.58 0.32 0.00 -0.46 -1.65 0.00 0.00 177.43 176.22 2a71 n ASN 30 N -4.53 0.26 -4.76 5.81 6.94 -1.26 -4.77 115.26 112.94 2a71 n ASN 30 Ca 0.16 0.55 -0.22 0.00 -0.02 0.00 0.00 54.58 55.04 2a71 n ASN 30 Cb 0.44 -0.61 -0.05 0.00 -2.36 0.00 0.00 39.78 37.20 2a71 n ASN 30 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2a71 s TRP 31 N -3.09 2.95 -0.02 -2.53 0.52 -0.57 -1.47 118.94 114.74 2a71 s TRP 31 Ca 0.08 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 56.04 2a71 s TRP 31 Cb 0.12 -1.34 0.03 0.00 -1.15 0.00 0.00 33.47 31.12 2a71 s TRP 31 CO 0.40 0.54 0.02 -1.14 0.02 0.00 0.00 176.95 176.79 2a71 s GLN 32 N -3.79 0.09 0.24 4.98 0.74 -0.41 -4.79 119.66 116.71 2a71 s GLN 32 Ca 0.33 0.13 0.06 0.00 0.05 0.00 0.00 55.36 55.93 2a71 s GLN 32 Cb -0.07 -0.31 -0.03 0.00 1.10 0.00 0.00 33.01 33.69 2a71 s GLN 32 CO 0.23 -0.14 0.26 0.95 -0.55 0.00 0.00 175.29 176.04 2a71 s THR 33 N 0.96 4.80 0.15 -0.34 -4.23 -1.26 -1.36 115.64 114.36 2a71 s THR 33 Ca -0.09 -1.19 -0.10 0.00 -1.18 0.00 0.00 61.69 59.13 2a71 s THR 33 Cb -0.12 -3.59 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 2a71 s THR 33 CO -0.02 -0.32 0.29 -0.83 -0.54 0.00 0.00 174.62 173.20 2a71 s GLY 34 N -3.82 0.31 0.00 3.99 0.00 -0.71 -4.95 107.32 102.14 2a71 s GLY 34 Ca 0.33 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2a71 s GLY 34 CO 0.27 -0.76 0.00 1.18 0.00 0.00 0.00 173.10 173.79 2a71 n GLU 35 N -0.19 0.00 -0.09 2.90 4.71 -1.26 -2.63 120.64 124.08 2a71 n GLU 35 Ca -0.10 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.17 2a71 n GLU 35 Cb 0.63 0.00 0.17 0.00 -1.01 0.00 0.00 31.44 31.23 2a71 n GLU 35 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2a71 n GLN 36 N 14.00 2.40 -1.70 3.49 6.02 -0.17 -4.95 117.38 136.47 2a71 n GLN 36 Ca 0.00 -2.07 -0.43 0.00 -0.01 0.00 0.00 57.00 54.48 2a71 n GLN 36 Cb 0.00 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.74 2a71 n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a71 n ALA 37 N 1.39 2.31 -3.17 -1.58 0.00 -1.08 -4.85 120.51 113.53 2a71 n ALA 37 Ca 0.17 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.90 2a71 n ALA 37 Cb 0.60 -2.47 -0.10 0.00 0.00 0.00 0.00 19.45 17.48 2a71 n ALA 37 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2a71 s SER 38 N 1.20 -0.11 -0.28 0.00 1.04 -0.95 -4.57 113.70 110.03 2a71 s SER 38 Ca 0.77 0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.94 2a71 s SER 38 Cb -0.56 0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.87 2a71 s SER 38 CO 0.34 -0.36 1.13 -0.22 0.98 0.00 0.00 173.24 175.12 2a71 s LEU 39 N -1.12 3.99 0.00 2.42 2.96 -1.26 -1.47 118.68 124.20 2a71 s LEU 39 Ca -0.12 1.23 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 2a71 s LEU 39 Cb -0.06 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2a71 s LEU 39 CO 0.02 -0.85 0.00 -0.62 -1.32 0.00 0.00 176.35 173.59 2a71 n GLU 40 N 6.78 2.15 -1.46 1.98 -0.58 -0.03 -5.00 120.64 124.48 2a71 n GLU 40 Ca 0.13 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.73 2a71 n GLU 40 Cb 0.46 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.22 2a71 n GLU 40 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2a71 n GLU 41 N 0.00 0.22 -1.25 3.49 4.71 -1.26 -1.97 120.64 124.58 2a71 n GLU 41 Ca 0.00 -0.67 -0.00 0.00 -0.01 0.00 0.00 57.16 56.48 2a71 n GLU 41 Cb 0.00 -2.59 -0.00 0.00 -1.01 0.00 0.00 31.44 27.84 2a71 n GLU 41 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2a71 n GLY 42 N 5.94 0.38 3.54 0.62 0.00 -1.25 -5.00 105.19 109.42 2a71 n GLY 42 Ca 0.44 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 2a71 n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a71 s ARG 43 N -2.50 0.64 -0.26 1.61 1.70 -0.83 -4.55 118.95 114.76 2a71 s ARG 43 Ca 0.00 -0.24 -0.11 0.00 -0.47 0.00 0.00 55.73 54.92 2a71 s ARG 43 Cb 0.00 0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2a71 s ARG 43 CO 0.00 -0.28 0.17 0.42 -1.08 0.00 0.00 175.30 174.53 2a71 s ILE 44 N -2.88 5.30 -0.45 4.99 1.09 -0.19 -0.85 121.20 128.22 2a71 s ILE 44 Ca 0.07 0.16 -0.20 0.00 -1.10 0.00 0.00 60.65 59.58 2a71 s ILE 44 Cb -0.01 -3.50 0.03 0.00 -1.06 0.00 0.00 42.46 37.92 2a71 s ILE 44 CO -0.07 0.30 0.62 -0.69 -0.10 0.00 0.00 174.94 175.00 2a71 s VAL 45 N 1.40 4.85 0.10 2.92 1.01 -0.54 -0.41 120.40 129.73 2a71 s VAL 45 Ca 0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 2a71 s VAL 45 Cb -0.15 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 2a71 s VAL 45 CO 0.08 -0.62 1.42 -0.07 0.00 0.00 0.00 175.10 175.90 2a71 h LEU 46 N 9.65 0.76 -8.45 3.92 3.38 -1.37 -2.53 115.31 120.68 2a71 h LEU 46 Ca -0.26 -0.48 -0.40 0.00 0.09 0.00 0.00 57.88 56.83 2a71 h LEU 46 Cb 1.10 -0.21 -0.21 0.00 0.09 0.00 0.00 40.66 41.43 2a71 h LEU 46 CO 0.90 1.08 -0.77 0.42 0.09 0.00 0.00 178.44 180.16 2a71 s THR 47 N -4.34 1.12 0.09 0.22 -4.23 -1.22 -2.91 115.64 104.37 2a71 s THR 47 Ca -0.12 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2a71 s THR 47 Cb 0.09 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.76 2a71 s THR 47 CO 0.83 -0.29 0.00 -1.20 -0.54 0.00 0.00 174.62 173.42 2a71 n SER 48 N 1.08 0.18 -1.90 3.99 7.64 -1.26 -3.75 113.62 119.59 2a71 n SER 48 Ca -0.20 0.15 -0.02 0.00 1.01 0.00 0.00 58.87 59.81 2a71 n SER 48 Cb 0.55 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 2a71 n SER 48 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2a71 n ASN 49 N -3.07 1.44 -4.65 6.43 4.05 -1.26 -4.74 115.26 113.46 2a71 n ASN 49 Ca 0.00 -1.19 -0.51 0.00 0.45 0.00 0.00 54.58 53.34 2a71 n ASN 49 Cb 0.13 0.06 -0.05 0.00 1.23 0.00 0.00 39.78 41.15 2a71 n ASN 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2a71 n GLN 50 N -0.09 1.63 -3.68 1.20 6.02 -1.26 -3.39 117.38 117.80 2a71 n GLN 50 Ca -0.01 0.59 -0.29 0.00 -0.01 0.00 0.00 57.00 57.28 2a71 n GLN 50 Cb 0.05 -2.31 0.03 0.00 1.02 0.00 0.00 30.24 29.03 2a71 n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2a71 n ASN 51 N 4.00 -5.38 -4.84 1.08 2.85 -0.98 -5.01 115.26 106.97 2a71 n ASN 51 Ca 0.20 -0.94 -0.22 0.00 -0.11 0.00 0.00 54.58 53.51 2a71 n ASN 51 Cb 0.23 -3.06 -0.04 0.00 1.24 0.00 0.00 39.78 38.14 2a71 n ASN 51 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2a71 s SER 52 N -3.33 5.55 0.04 1.20 0.15 -1.22 -4.87 113.70 111.22 2a71 s SER 52 Ca 0.34 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.75 2a71 s SER 52 Cb -0.14 -1.38 -0.02 0.00 -1.71 0.00 0.00 66.02 62.77 2a71 s SER 52 CO 0.87 -0.08 -0.07 -0.54 1.20 0.00 0.00 173.24 174.61 2a71 s LYS 53 N -3.87 0.52 -0.03 5.44 1.02 -1.26 -2.48 119.74 119.08 2a71 s LYS 53 Ca 0.34 -0.76 -0.19 0.00 0.02 0.00 0.00 55.97 55.39 2a71 s LYS 53 Cb -0.08 -0.26 0.04 0.00 -0.52 0.00 0.00 37.83 37.01 2a71 s LYS 53 CO 0.25 0.04 0.41 0.20 -0.92 0.00 0.00 175.35 175.33 2a71 s GLY 54 N -1.59 -0.26 0.03 -3.33 0.00 -0.56 -1.00 107.32 100.60 2a71 s GLY 54 Ca -0.10 0.60 -0.14 0.00 0.00 0.00 0.00 44.72 45.08 2a71 s GLY 54 CO 0.00 0.35 0.30 -1.35 0.00 0.00 0.00 173.10 172.41 2a71 s SER 55 N -1.25 -0.13 -0.38 1.64 1.04 -1.10 -2.04 113.70 111.48 2a71 s SER 55 Ca -0.13 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.22 2a71 s SER 55 Cb -0.04 0.34 0.17 0.00 0.10 0.00 0.00 66.02 66.60 2a71 s SER 55 CO 0.06 -0.58 0.54 -0.22 0.98 0.00 0.00 173.24 174.02 2a71 s LEU 56 N -1.91 -1.07 0.14 2.42 2.96 -0.77 -1.73 118.68 118.72 2a71 s LEU 56 Ca -0.07 -0.90 0.10 0.00 -0.22 0.00 0.00 54.13 53.05 2a71 s LEU 56 Cb -0.02 1.51 -0.04 0.00 0.50 0.00 0.00 46.19 48.14 2a71 s LEU 56 CO -0.02 -0.22 -0.23 0.26 -1.32 0.00 0.00 176.35 174.82 2a71 s TRP 57 N 1.87 2.38 0.16 5.38 0.52 -0.47 -1.51 118.94 127.27 2a71 s TRP 57 Ca 0.15 -0.34 -0.30 0.00 0.02 0.00 0.00 56.10 55.63 2a71 s TRP 57 Cb -0.08 -1.25 -0.07 0.00 -1.15 0.00 0.00 33.47 30.91 2a71 s TRP 57 CO -0.09 0.39 1.03 -0.51 0.02 0.00 0.00 176.95 177.79 2a71 s LEU 58 N -2.24 4.51 0.03 2.99 1.43 -0.55 -1.29 118.68 123.55 2a71 s LEU 58 Ca 0.17 1.96 -0.22 0.00 -1.03 0.00 0.00 54.13 55.01 2a71 s LEU 58 Cb -0.10 -3.60 -0.15 0.00 0.03 0.00 0.00 46.19 42.37 2a71 s LEU 58 CO 0.08 -0.12 1.39 0.11 0.23 0.00 0.00 176.35 178.04 2a71 h LYS 59 N 5.20 0.22 -6.77 1.70 1.79 -1.58 -3.44 116.57 113.69 2a71 h LYS 59 Ca -0.44 -0.09 -0.49 0.00 -2.18 0.00 0.00 60.65 57.45 2a71 h LYS 59 Cb 1.21 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 2a71 h LYS 59 CO 0.72 0.56 0.36 -1.14 -1.08 0.00 0.00 179.45 178.86 2a71 s GLN 60 N -4.60 4.81 0.52 3.15 2.00 -1.26 -4.81 119.66 119.47 2a71 s GLN 60 Ca -0.15 1.50 -0.18 0.00 -2.00 0.00 0.00 55.36 54.54 2a71 s GLN 60 Cb 0.04 -3.22 -0.07 0.00 0.80 0.00 0.00 33.01 30.56 2a71 s GLN 60 CO 0.71 0.46 1.01 0.20 -0.50 0.00 0.00 175.29 177.18 2a71 s GLY 61 N -1.20 2.23 -0.19 2.59 0.00 -1.26 -4.87 107.32 104.61 2a71 s GLY 61 Ca 0.42 0.37 -0.07 0.00 0.00 0.00 0.00 44.72 45.44 2a71 s GLY 61 CO 0.32 0.67 0.07 -0.12 0.00 0.00 0.00 173.10 174.03 2a71 s PHE 62 N -2.37 3.22 -0.60 1.90 5.36 -0.25 -4.91 117.98 120.33 2a71 s PHE 62 Ca 0.63 -0.01 -0.20 0.00 -0.96 0.00 0.00 56.93 56.39 2a71 s PHE 62 Cb -0.13 -2.11 0.09 0.00 -0.34 0.00 0.00 43.02 40.53 2a71 s PHE 62 CO 0.28 0.06 0.76 -0.51 -1.46 0.00 0.00 175.22 174.35 2a71 s ASP 63 N 0.60 6.19 -0.15 6.13 -0.00 -1.26 0.32 116.67 128.49 2a71 s ASP 63 Ca 0.03 -1.24 -0.29 0.00 -0.00 0.00 0.00 52.55 51.05 2a71 s ASP 63 Cb -0.13 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.92 40.43 2a71 s ASP 63 CO 0.01 -1.17 1.46 -0.22 -0.00 0.00 0.00 175.17 175.25 2a71 s LEU 64 N 3.04 4.14 -0.25 1.23 2.96 0.29 -4.86 118.68 125.23 2a71 s LEU 64 Ca 0.15 1.80 -0.07 0.00 -0.22 0.00 0.00 54.13 55.80 2a71 s LEU 64 Cb -0.22 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.81 2a71 s LEU 64 CO 0.08 -0.95 -0.28 0.29 -1.32 0.00 0.00 176.35 174.17 2a71 n LYS 65 N 7.06 0.57 0.07 1.98 5.02 -1.26 -3.24 118.16 128.36 2a71 n LYS 65 Ca 0.16 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2a71 n LYS 65 Cb 0.44 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2a71 n LYS 65 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2a71 n ASP 66 N -3.74 -0.69 -3.49 4.39 5.75 -1.26 -4.94 116.55 112.58 2a71 n ASP 66 Ca -0.47 0.26 -0.16 0.00 -0.01 0.00 0.00 54.79 54.41 2a71 n ASP 66 Cb 0.90 0.81 -0.05 0.00 -1.03 0.00 0.00 41.12 41.75 2a71 n ASP 66 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2a71 s SER 67 N -3.91 -0.62 0.13 -1.12 0.01 -1.26 -4.20 113.70 102.72 2a71 s SER 67 Ca 0.00 0.47 -0.24 0.00 1.31 0.00 0.00 55.95 57.49 2a71 s SER 67 Cb 0.00 0.56 0.07 0.00 0.21 0.00 0.00 66.02 66.86 2a71 s SER 67 CO 0.00 -0.73 0.70 0.72 0.41 0.00 0.00 173.24 174.34 2a71 s PHE 68 N -2.06 -0.43 -0.05 2.43 -0.12 -1.15 -1.72 117.98 114.87 2a71 s PHE 68 Ca -0.07 0.20 0.02 0.00 -0.05 0.00 0.00 56.93 57.03 2a71 s PHE 68 Cb -0.00 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.98 2a71 s PHE 68 CO 0.02 -0.82 -0.07 0.99 -0.05 0.00 0.00 175.22 175.29 2a71 s THR 69 N -3.60 0.75 0.00 -4.49 2.01 -0.97 -2.72 115.64 106.62 2a71 s THR 69 Ca 0.04 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 61.85 2a71 s THR 69 Cb -0.02 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 2a71 s THR 69 CO -0.09 0.27 -0.22 -0.32 -0.69 0.00 0.00 174.62 173.56 2a71 s MET 70 N 0.76 2.10 -0.21 4.92 1.75 -0.12 -1.56 119.30 126.93 2a71 s MET 70 Ca -0.12 -0.94 -0.04 0.00 -1.25 0.00 0.00 55.69 53.34 2a71 s MET 70 Cb -0.14 -2.12 0.09 0.00 2.84 0.00 0.00 34.83 35.50 2a71 s MET 70 CO 0.01 0.56 0.20 -2.00 -0.65 0.00 0.00 175.02 173.14 2a71 s GLU 71 N -0.95 0.18 0.02 4.11 2.12 -0.11 -0.22 118.70 123.86 2a71 s GLU 71 Ca 0.12 0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.52 2a71 s GLU 71 Cb -0.10 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.98 2a71 s GLU 71 CO 0.01 -0.71 0.17 -1.58 -0.54 0.00 0.00 175.26 172.61 2a71 s TRP 72 N 2.28 3.46 -0.08 5.30 0.52 -0.36 -0.48 118.94 129.60 2a71 s TRP 72 Ca 0.06 0.27 -0.01 0.00 0.02 0.00 0.00 56.10 56.44 2a71 s TRP 72 Cb -0.16 -1.77 0.03 0.00 -1.15 0.00 0.00 33.47 30.42 2a71 s TRP 72 CO -0.15 0.60 -0.01 0.99 0.02 0.00 0.00 176.95 178.40 2a71 s THR 73 N -1.38 0.48 0.34 2.01 2.01 -1.05 0.00 115.64 118.06 2a71 s THR 73 Ca 0.29 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 2a71 s THR 73 Cb -0.13 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.78 2a71 s THR 73 CO 0.22 0.27 0.47 0.72 -0.69 0.00 0.00 174.62 175.61 2a71 s PHE 74 N 1.85 1.03 -0.13 4.92 -0.12 0.08 -1.88 117.98 123.72 2a71 s PHE 74 Ca 0.04 -1.27 -0.29 0.00 -0.05 0.00 0.00 56.93 55.36 2a71 s PHE 74 Cb -0.12 -0.08 0.08 0.00 -0.63 0.00 0.00 43.02 42.27 2a71 s PHE 74 CO -0.05 -1.12 0.76 0.50 -0.05 0.00 0.00 175.22 175.26 2a71 s ARG 75 N -3.13 0.90 -0.10 1.99 3.52 -0.92 -1.45 118.95 119.76 2a71 s ARG 75 Ca 0.30 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 2a71 s ARG 75 Cb -0.00 0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.80 2a71 s ARG 75 CO 0.20 -0.24 -0.11 0.45 -0.81 0.00 0.00 175.30 174.79 2a71 s SER 76 N -0.72 4.23 0.07 -2.12 0.15 -1.25 -0.62 113.70 113.45 2a71 s SER 76 Ca -0.06 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2a71 s SER 76 Cb -0.02 -1.38 -0.04 0.00 -1.71 0.00 0.00 66.02 62.87 2a71 s SER 76 CO 0.06 0.24 -0.05 0.68 1.20 0.00 0.00 173.24 175.37 2a71 s VAL 77 N -0.10 0.43 0.00 4.45 -7.23 -0.71 -4.16 120.40 113.08 2a71 s VAL 77 Ca -0.01 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 2a71 s VAL 77 Cb -0.14 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.24 2a71 s VAL 77 CO 0.03 -0.93 0.00 0.61 -0.31 0.00 0.00 175.10 174.50 2a71 n GLY 78 N 0.08 2.00 3.53 2.32 0.00 -1.26 -1.31 105.19 110.55 2a71 n GLY 78 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2a71 n GLY 78 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a71 s TYR 79 N -2.35 -0.83 -0.14 1.61 5.04 -1.26 -4.71 117.35 114.71 2a71 s TYR 79 Ca 0.00 1.80 -0.00 0.00 -2.44 0.00 0.00 57.07 56.43 2a71 s TYR 79 Cb 0.00 0.41 -0.01 0.00 0.35 0.00 0.00 41.96 42.71 2a71 s TYR 79 CO 0.00 -0.42 -0.14 0.45 -1.34 0.00 0.00 175.55 174.11 2a71 s SER 80 N 1.10 3.92 0.00 4.32 0.15 -1.26 -4.55 113.70 117.37 2a71 s SER 80 Ca -0.06 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2a71 s SER 80 Cb -0.05 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2a71 s SER 80 CO -0.11 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2a71 n GLY 81 N 3.66 4.28 3.73 9.45 0.00 -1.26 -5.12 105.19 119.93 2a71 n GLY 81 Ca -0.18 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 2a71 n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a71 s GLN 82 N -2.97 4.62 0.19 1.61 0.74 -1.26 -5.04 119.66 117.56 2a71 s GLN 82 Ca 0.00 1.57 0.00 0.00 0.05 0.00 0.00 55.36 56.98 2a71 s GLN 82 Cb 0.00 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 2a71 s GLN 82 CO 0.00 0.08 0.08 0.95 -0.55 0.00 0.00 175.29 175.84 2a71 s THR 83 N 0.19 0.32 -2.06 -0.34 -4.23 -1.26 -4.99 115.64 103.27 2a71 s THR 83 Ca 0.50 -1.97 0.12 0.00 -1.18 0.00 0.00 61.69 59.16 2a71 s THR 83 Cb -0.26 -2.35 0.32 0.00 1.34 0.00 0.00 72.50 71.56 2a71 s THR 83 CO 0.31 -0.21 1.39 -0.90 -0.54 0.00 0.00 174.62 174.67 2a71 n ASP 84 N -0.28 0.72 -4.16 3.99 5.68 -1.26 -3.83 116.55 117.40 2a71 n ASP 84 Ca -0.02 -1.75 -0.28 0.00 -0.50 0.00 0.00 54.79 52.23 2a71 n ASP 84 Cb 0.65 -0.07 0.18 0.00 -1.14 0.00 0.00 41.12 40.74 2a71 n ASP 84 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2a71 s GLY 85 N -1.31 1.80 0.00 6.12 0.00 -1.25 -4.87 107.32 107.82 2a71 s GLY 85 Ca 0.20 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2a71 s GLY 85 CO 0.15 -0.71 0.00 0.61 0.00 0.00 0.00 173.10 173.16 2a71 n GLY 86 N -3.58 2.12 3.38 0.20 0.00 -0.20 -4.56 105.19 102.55 2a71 n GLY 86 Ca 0.17 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2a71 n GLY 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2a71 s ILE 87 N -2.00 2.47 -0.03 -0.61 2.07 -0.60 -2.49 121.20 120.02 2a71 s ILE 87 Ca 0.00 -1.01 -0.01 0.00 -1.41 0.00 0.00 60.65 58.22 2a71 s ILE 87 Cb 0.00 -1.93 0.03 0.00 0.13 0.00 0.00 42.46 40.69 2a71 s ILE 87 CO 0.00 0.54 0.05 -0.94 -1.91 0.00 0.00 174.94 172.68 2a71 s SER 88 N -0.79 0.03 -0.22 4.50 1.04 0.68 -0.60 113.70 118.35 2a71 s SER 88 Ca 0.11 0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.53 2a71 s SER 88 Cb -0.10 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 2a71 s SER 88 CO 0.00 -0.12 0.12 -0.36 0.98 0.00 0.00 173.24 173.86 2a71 s PHE 89 N 0.95 3.29 0.12 5.02 0.08 0.02 -1.46 117.98 126.01 2a71 s PHE 89 Ca -0.08 0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.17 2a71 s PHE 89 Cb -0.11 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2a71 s PHE 89 CO -0.03 0.09 -0.03 -1.58 -0.10 0.00 0.00 175.22 173.57 2a71 s TRP 90 N 0.77 2.86 -0.39 0.36 0.52 -0.23 -0.88 118.94 121.95 2a71 s TRP 90 Ca 0.06 -0.10 0.07 0.00 0.02 0.00 0.00 56.10 56.14 2a71 s TRP 90 Cb -0.13 -1.45 0.18 0.00 -1.15 0.00 0.00 33.47 30.91 2a71 s TRP 90 CO 0.02 0.47 0.57 0.12 0.02 0.00 0.00 176.95 178.15 2a71 s PHE 91 N -1.41 -1.43 -0.11 -1.98 5.36 -0.57 -3.33 117.98 114.51 2a71 s PHE 91 Ca 0.25 0.10 -0.09 0.00 -0.96 0.00 0.00 56.93 56.23 2a71 s PHE 91 Cb -0.11 0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.76 2a71 s PHE 91 CO 0.17 -1.12 0.29 0.14 -1.46 0.00 0.00 175.22 173.24 2a71 s VAL 92 N 1.86 -0.01 0.25 3.12 -7.23 -1.02 -1.35 120.40 116.03 2a71 s VAL 92 Ca 0.16 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 2a71 s VAL 92 Cb -0.07 -0.41 -0.09 0.00 0.56 0.00 0.00 36.38 36.36 2a71 s VAL 92 CO -0.08 0.01 1.23 -1.10 -0.31 0.00 0.00 175.10 174.85 2a71 s GLN 93 N 0.35 4.46 -0.15 4.82 -0.21 0.47 -1.51 119.66 127.89 2a71 s GLN 93 Ca -0.02 2.00 -0.34 0.00 0.02 0.00 0.00 55.36 57.03 2a71 s GLN 93 Cb -0.03 -3.17 0.13 0.00 1.00 0.00 0.00 33.01 30.94 2a71 s GLN 93 CO -0.01 -0.08 1.17 0.34 -2.12 0.00 0.00 175.29 174.59 2a71 s ASP 94 N -0.25 -0.16 0.01 5.90 -1.08 -1.14 -4.45 116.67 115.49 2a71 s ASP 94 Ca 0.51 -0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.79 2a71 s ASP 94 Cb -0.36 0.18 0.95 0.00 -1.46 0.00 0.00 42.92 42.23 2a71 s ASP 94 CO 0.43 -0.29 1.73 -1.20 0.52 0.00 0.00 175.17 176.36 2a71 n SER 95 N -0.15 0.22 -3.67 -0.34 7.64 -1.26 -4.72 113.62 111.34 2a71 n SER 95 Ca -0.01 0.23 -0.06 0.00 1.01 0.00 0.00 58.87 60.04 2a71 n SER 95 Cb 0.59 -0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 2a71 n SER 95 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2a71 s ASN 96 N -3.08 -0.27 -0.22 6.43 4.22 -1.26 -4.97 114.94 115.79 2a71 s ASN 96 Ca 0.13 -0.29 -0.35 0.00 -2.14 0.00 0.00 52.86 50.20 2a71 s ASN 96 Cb 0.18 0.50 -0.16 0.00 1.28 0.00 0.00 41.25 43.05 2a71 s ASN 96 CO 0.60 -0.89 1.10 -0.38 -2.04 0.00 0.00 177.10 175.48 2a71 n ILE 97 N -0.40 0.00 -1.53 0.54 5.41 -1.26 -4.74 119.36 117.38 2a71 n ILE 97 Ca -0.07 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 63.23 2a71 n ILE 97 Cb 0.61 -0.22 -0.01 0.00 -0.71 0.00 0.00 39.64 39.31 2a71 n ILE 97 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2a71 n PRO 98 N 2.31 0.93 -0.01 0.38 -0.02 -1.26 -4.91 135.00 132.43 2a71 n PRO 98 Ca 0.21 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.90 2a71 n PRO 98 Cb 0.00 -1.63 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 2a71 n PRO 98 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2a71 n ARG 99 N 0.70 0.67 -2.56 -0.52 1.74 -1.26 -4.92 116.66 110.50 2a71 n ARG 99 Ca 0.12 0.29 -0.41 0.00 -0.77 0.00 0.00 57.85 57.07 2a71 n ARG 99 Cb 0.33 -1.77 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 2a71 n ARG 99 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2a71 s ASP 100 N -6.35 7.33 -0.01 0.55 2.15 -1.26 -4.98 116.67 114.11 2a71 s ASP 100 Ca -0.09 2.04 0.01 0.00 0.43 0.00 0.00 52.55 54.94 2a71 s ASP 100 Cb 0.08 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 2a71 s ASP 100 CO 0.81 -0.16 0.95 0.29 -0.17 0.00 0.00 175.17 176.88 2a71 n LYS 101 N 2.30 2.45 0.16 4.34 4.76 -1.25 -1.80 118.16 129.12 2a71 n LYS 101 Ca 0.02 -1.45 0.12 0.00 -2.87 0.00 0.00 58.31 54.14 2a71 n LYS 101 Cb 0.47 -0.97 0.58 0.00 -1.84 0.00 0.00 35.03 33.27 2a71 n LYS 101 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2a71 h GLN 102 N 0.00 0.00 -4.65 1.97 4.20 -1.89 -3.19 115.11 111.55 2a71 h GLN 102 Ca 0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 2a71 h GLN 102 Cb 0.61 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.99 2a71 h GLN 102 CO 0.00 0.00 -0.72 -1.17 -0.67 0.00 0.00 178.83 176.27 2a71 s LEU 103 N -4.64 4.73 -1.54 1.46 2.96 0.06 -4.75 118.68 116.97 2a71 s LEU 103 Ca 0.00 -2.17 -0.11 0.00 -0.22 0.00 0.00 54.13 51.63 2a71 s LEU 103 Cb 0.08 -1.62 0.08 0.00 0.50 0.00 0.00 46.19 45.23 2a71 s LEU 103 CO 0.30 -0.38 0.79 -1.22 -1.32 0.00 0.00 176.35 174.52 2a71 n TYR 104 N 4.24 -1.97 -2.01 5.38 4.01 -1.26 0.02 117.16 125.56 2a71 n TYR 104 Ca 0.04 0.84 -0.20 0.00 -0.16 0.00 0.00 57.90 58.41 2a71 n TYR 104 Cb 0.42 -3.67 -0.05 0.00 -0.31 0.00 0.00 39.34 35.74 2a71 n TYR 104 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2a71 n ASN 105 N -2.83 -5.61 -4.03 7.72 5.15 -1.20 -3.48 115.26 110.98 2a71 n ASN 105 Ca -0.05 0.22 -0.21 0.00 -0.60 0.00 0.00 54.58 53.94 2a71 n ASN 105 Cb 0.56 -4.75 -0.09 0.00 -0.53 0.00 0.00 39.78 34.97 2a71 n ASN 105 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2a71 s GLY 106 N -2.41 2.26 -0.14 8.20 0.00 0.10 -4.76 107.32 110.57 2a71 s GLY 106 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 44.72 42.79 2a71 s GLY 106 CO 0.00 -1.68 1.66 2.56 0.00 0.00 0.00 173.10 175.65 2a71 s PRO 107 N -3.76 3.95 0.26 2.90 0.04 -0.74 -0.76 135.00 136.89 2a71 s PRO 107 Ca 0.32 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.37 2a71 s PRO 107 Cb 0.04 -4.03 0.33 0.00 0.04 0.00 0.00 34.50 30.88 2a71 s PRO 107 CO 0.17 -1.12 1.61 -0.24 0.04 0.00 0.00 177.00 177.46 2a71 h VAL 108 N 5.92 1.38 -1.81 -0.36 3.04 -1.85 -3.29 116.25 119.28 2a71 h VAL 108 Ca -0.37 -1.91 -0.73 0.00 -1.01 0.00 0.00 66.70 62.68 2a71 h VAL 108 Cb 1.17 1.97 -0.23 0.00 -2.01 0.00 0.00 31.29 32.19 2a71 h VAL 108 CO 0.98 0.56 1.12 -0.46 -1.01 0.00 0.00 177.57 178.76 2a71 n ASN 109 N -3.89 7.37 -4.87 3.17 6.94 -1.26 -2.12 115.26 120.60 2a71 n ASN 109 Ca -0.02 -3.59 -0.32 0.00 -0.02 0.00 0.00 54.58 50.64 2a71 n ASN 109 Cb 0.58 -1.17 -0.05 0.00 -2.36 0.00 0.00 39.78 36.79 2a71 n ASN 109 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2a71 s TYR 110 N -3.36 3.41 -0.76 -2.53 -0.85 -1.24 -4.69 117.35 107.33 2a71 s TYR 110 Ca 0.49 1.05 0.00 0.00 -0.52 0.00 0.00 57.07 58.09 2a71 s TYR 110 Cb 0.32 -2.41 0.19 0.00 0.38 0.00 0.00 41.96 40.43 2a71 s TYR 110 CO -0.25 0.10 0.60 0.34 -1.52 0.00 0.00 175.55 174.81 2a71 s ASP 111 N -2.56 5.42 0.00 -0.18 2.15 -1.26 -2.58 116.67 117.65 2a71 s ASP 111 Ca 0.51 -3.52 0.00 0.00 0.43 0.00 0.00 52.55 49.97 2a71 s ASP 111 Cb -0.10 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 40.70 2a71 s ASP 111 CO 0.22 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 2a71 n GLY 112 N 2.55 -0.33 3.27 2.66 0.00 -0.62 -0.40 105.19 112.32 2a71 n GLY 112 Ca 0.17 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2a71 n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a71 s LEU 113 N 0.00 2.16 -0.14 0.99 2.96 -0.46 -2.63 118.68 121.56 2a71 s LEU 113 Ca 0.00 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2a71 s LEU 113 Cb 0.00 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.29 2a71 s LEU 113 CO 0.00 0.21 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.46 2a71 s GLN 114 N 0.05 2.83 -0.43 1.98 0.74 -0.76 -1.51 119.66 122.56 2a71 s GLN 114 Ca -0.09 -0.78 -0.11 0.00 0.05 0.00 0.00 55.36 54.42 2a71 s GLN 114 Cb -0.15 -2.35 0.07 0.00 1.10 0.00 0.00 33.01 31.68 2a71 s GLN 114 CO 0.06 -0.07 0.30 -0.51 -0.55 0.00 0.00 175.29 174.51 2a71 s LEU 115 N 0.98 5.29 -0.29 3.68 1.43 -0.06 -0.89 118.68 128.82 2a71 s LEU 115 Ca -0.04 -1.43 -0.16 0.00 -1.03 0.00 0.00 54.13 51.47 2a71 s LEU 115 Cb -0.15 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2a71 s LEU 115 CO -0.05 -0.57 0.42 -0.22 0.23 0.00 0.00 176.35 176.17 2a71 s LEU 116 N 1.50 4.12 -0.42 1.79 2.96 -0.22 -0.80 118.68 127.61 2a71 s LEU 116 Ca 0.03 0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 54.04 2a71 s LEU 116 Cb -0.23 -2.49 0.03 0.00 0.50 0.00 0.00 46.19 44.00 2a71 s LEU 116 CO 0.04 -0.26 0.30 -0.69 -1.32 0.00 0.00 176.35 174.42 2a71 s VAL 117 N 2.16 5.13 0.19 1.68 1.01 0.24 -0.97 120.40 129.84 2a71 s VAL 117 Ca 0.16 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2a71 s VAL 117 Cb -0.16 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2a71 s VAL 117 CO 0.10 -0.35 0.30 -0.90 0.00 0.00 0.00 175.10 174.26 2a71 n ASP 118 N 5.14 -0.85 -0.53 3.32 5.75 -1.05 -1.55 116.55 126.77 2a71 n ASP 118 Ca -0.11 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 2a71 n ASP 118 Cb 0.46 1.51 0.00 0.00 -1.03 0.00 0.00 41.12 42.06 2a71 n ASP 118 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2a71 n ASN 119 N -1.66 0.06 -0.31 -1.12 0.23 -1.26 -1.54 115.26 109.66 2a71 n ASN 119 Ca -0.01 -2.01 0.14 0.00 -0.53 0.00 0.00 54.58 52.17 2a71 n ASN 119 Cb 0.30 -0.21 0.63 0.00 -2.08 0.00 0.00 39.78 38.42 2a71 n ASN 119 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2a71 n ASN 120 N 0.00 0.99 -3.98 0.53 5.15 -1.25 -4.30 115.26 112.40 2a71 n ASN 120 Ca 0.00 -1.23 -0.30 0.00 -0.60 0.00 0.00 54.58 52.45 2a71 n ASN 120 Cb 0.72 0.00 0.21 0.00 -0.53 0.00 0.00 39.78 40.17 2a71 n ASN 120 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2a71 s GLY 121 N -2.09 1.81 0.65 8.20 0.00 -1.26 -4.94 107.32 109.69 2a71 s GLY 121 Ca 0.38 -1.30 0.41 0.00 0.00 0.00 0.00 44.72 44.21 2a71 s GLY 121 CO 0.37 -0.47 2.32 -0.56 0.00 0.00 0.00 173.10 174.76 2a71 h PRO 122 N -1.78 0.00 -0.15 2.90 0.13 -1.97 -3.03 132.00 128.10 2a71 h PRO 122 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2a71 h PRO 122 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2a71 h PRO 122 CO 0.33 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.38 2a71 n LEU 123 N -3.24 3.05 0.00 1.56 4.77 -1.26 -5.08 117.00 116.80 2a71 n LEU 123 Ca -0.03 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 2a71 n LEU 123 Cb 0.10 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2a71 n LEU 123 CO 0.21 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2a71 n GLY 124 N 1.32 0.44 3.66 -0.72 0.00 -1.15 -4.82 105.19 103.91 2a71 n GLY 124 Ca 0.15 -0.89 -0.55 0.00 0.00 0.00 0.00 46.02 44.73 2a71 n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a71 n PRO 125 N 4.97 1.30 -3.72 1.61 -0.02 -1.26 -4.34 135.00 133.54 2a71 n PRO 125 Ca 0.00 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 2a71 n PRO 125 Cb 0.00 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 2a71 n PRO 125 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2a71 s THR 126 N 4.24 0.09 -0.35 3.45 -4.23 -0.59 -1.26 115.64 116.99 2a71 s THR 126 Ca 1.00 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 60.69 2a71 s THR 126 Cb -0.99 -1.12 0.03 0.00 1.34 0.00 0.00 72.50 71.77 2a71 s THR 126 CO 0.61 -0.41 0.13 -0.22 -0.54 0.00 0.00 174.62 174.20 2a71 s LEU 127 N -2.52 4.40 -0.11 4.79 0.20 -0.35 -2.54 118.68 122.55 2a71 s LEU 127 Ca 0.00 -1.07 -0.04 0.00 0.69 0.00 0.00 54.13 53.71 2a71 s LEU 127 Cb 0.02 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 2a71 s LEU 127 CO -0.08 -0.33 0.04 -0.13 -0.29 0.00 0.00 176.35 175.56 2a71 s ARG 128 N 1.45 3.31 -0.24 1.98 0.52 -0.14 -2.54 118.95 123.29 2a71 s ARG 128 Ca -0.00 -0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 54.70 2a71 s ARG 128 Cb -0.19 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.27 2a71 s ARG 128 CO 0.04 0.62 0.46 0.20 0.02 0.00 0.00 175.30 176.65 2a71 s GLY 129 N -0.64 1.93 0.11 -3.53 0.00 -0.02 -1.06 107.32 104.11 2a71 s GLY 129 Ca 0.11 -0.61 0.09 0.00 0.00 0.00 0.00 44.72 44.32 2a71 s GLY 129 CO 0.02 1.08 -0.20 1.20 0.00 0.00 0.00 173.10 175.21 2a71 s GLN 130 N 1.98 1.75 0.20 2.90 -1.52 -0.06 -1.45 119.66 123.45 2a71 s GLN 130 Ca 0.20 -1.19 0.08 0.00 -1.95 0.00 0.00 55.36 52.51 2a71 s GLN 130 Cb -0.15 -2.08 -0.05 0.00 -0.22 0.00 0.00 33.01 30.51 2a71 s GLN 130 CO 0.09 0.48 -0.16 -0.51 -0.25 0.00 0.00 175.29 174.94 2a71 s LEU 131 N -2.02 2.52 -0.13 2.90 1.43 -1.26 -1.83 118.68 120.28 2a71 s LEU 131 Ca 0.17 -0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 52.01 2a71 s LEU 131 Cb -0.10 -0.78 0.09 0.00 0.03 0.00 0.00 46.19 45.43 2a71 s LEU 131 CO 0.09 -0.10 0.80 0.21 0.23 0.00 0.00 176.35 177.58 2a71 s ASN 132 N -3.10 -0.58 0.00 2.29 2.47 -1.08 -5.00 114.94 109.95 2a71 s ASN 132 Ca 0.21 0.75 0.25 0.00 0.42 0.00 0.00 52.86 54.48 2a71 s ASN 132 Cb -0.03 0.63 0.43 0.00 -1.45 0.00 0.00 41.25 40.83 2a71 s ASN 132 CO 0.08 -0.45 1.37 -0.90 -3.72 0.00 0.00 177.10 173.48 2a71 n ASP 133 N 1.22 1.94 0.00 -4.21 5.68 -1.26 -1.59 116.55 118.33 2a71 n ASP 133 Ca -0.15 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 2a71 n ASP 133 Cb 0.57 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 2a71 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a71 n GLY 134 N 1.34 0.73 0.13 6.12 0.00 -1.07 -4.76 105.19 107.67 2a71 n GLY 134 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 2a71 n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a71 n GLN 135 N -2.48 0.71 -5.12 1.61 6.02 -1.26 -4.88 117.38 111.98 2a71 n GLN 135 Ca 0.00 0.21 -0.29 0.00 -0.01 0.00 0.00 57.00 56.91 2a71 n GLN 135 Cb 0.00 -1.64 -0.16 0.00 1.02 0.00 0.00 30.24 29.46 2a71 n GLN 135 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2a71 s LYS 136 N -2.54 1.89 0.22 -1.09 1.02 -1.26 -5.11 119.74 112.87 2a71 s LYS 136 Ca -0.25 -0.81 -0.32 0.00 0.02 0.00 0.00 55.97 54.62 2a71 s LYS 136 Cb 0.08 -1.80 -0.14 0.00 -0.52 0.00 0.00 37.83 35.45 2a71 s LYS 136 CO 0.72 0.47 1.32 -0.35 -0.92 0.00 0.00 175.35 176.58 2a71 n PRO 137 N 2.59 1.73 -0.85 -1.68 -0.04 -1.26 -4.71 135.00 130.78 2a71 n PRO 137 Ca -0.16 0.62 -0.31 0.00 -0.04 0.00 0.00 63.50 63.61 2a71 n PRO 137 Cb 0.52 -2.21 0.15 0.00 -0.04 0.00 0.00 33.50 31.92 2a71 n PRO 137 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2a71 s VAL 138 N -0.13 2.41 -0.51 0.52 -7.23 -0.90 -4.97 120.40 109.60 2a71 s VAL 138 Ca 0.70 0.13 -0.17 0.00 -1.81 0.00 0.00 61.98 60.83 2a71 s VAL 138 Cb -0.72 -2.28 0.09 0.00 0.56 0.00 0.00 36.38 34.02 2a71 s VAL 138 CO 0.51 -0.17 0.50 -0.62 -0.31 0.00 0.00 175.10 175.01 2a71 s ASP 139 N -2.87 6.18 0.55 4.85 2.15 -1.26 -4.95 116.67 121.31 2a71 s ASP 139 Ca 0.65 -1.35 0.37 0.00 0.43 0.00 0.00 52.55 52.65 2a71 s ASP 139 Cb -0.21 -2.23 1.90 0.00 -0.30 0.00 0.00 42.92 42.08 2a71 s ASP 139 CO 0.57 -0.80 2.12 0.11 -0.17 0.00 0.00 175.17 177.00 2a71 h LYS 140 N 8.89 0.00 -0.01 4.34 1.57 -2.00 -2.19 116.57 127.17 2a71 h LYS 140 Ca -0.29 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.33 2a71 h LYS 140 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2a71 h LYS 140 CO 0.96 0.00 -0.74 1.79 -0.57 0.00 0.00 179.45 180.89 2a71 h THR 141 N 0.00 1.50 -0.27 -0.16 1.35 -2.04 -3.27 112.91 110.02 2a71 h THR 141 Ca 0.00 -2.44 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 2a71 h THR 141 Cb 0.12 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2a71 h THR 141 CO 0.00 0.70 0.00 0.29 -0.25 0.00 0.00 175.52 176.26 2a71 n LYS 142 N -3.70 2.21 -0.30 4.72 5.02 -0.83 -4.61 118.16 120.67 2a71 n LYS 142 Ca -0.02 -1.82 0.19 0.00 -2.02 0.00 0.00 58.31 54.65 2a71 n LYS 142 Cb 0.71 -1.47 0.47 0.00 -0.02 0.00 0.00 35.03 34.72 2a71 n LYS 142 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2a71 h ILE 143 N 3.70 0.62 0.05 -0.18 6.09 -1.61 -0.84 117.51 125.34 2a71 h ILE 143 Ca 0.00 -0.16 -0.26 0.00 -1.37 0.00 0.00 64.86 63.07 2a71 h ILE 143 Cb 0.81 0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 2a71 h ILE 143 CO 0.00 0.09 -1.28 1.88 -3.07 0.00 0.00 178.15 175.76 2a71 h TYR 144 N 0.48 0.19 0.00 2.19 0.05 -1.88 -2.99 116.97 115.01 2a71 h TYR 144 Ca 0.55 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 59.11 2a71 h TYR 144 Cb 1.26 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 2a71 h TYR 144 CO -0.00 1.14 -0.40 -0.44 -1.05 0.00 0.00 178.16 177.40 2a71 h ASP 145 N 0.03 0.00 0.20 3.88 3.45 -1.62 -3.30 116.42 119.06 2a71 h ASP 145 Ca -0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.33 2a71 h ASP 145 Cb 1.90 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.67 2a71 h ASP 145 CO 0.14 0.40 -0.25 0.00 -1.57 0.00 0.00 179.24 177.97 2a71 n GLN 146 N -3.69 0.93 -1.68 3.56 6.02 -0.42 -4.91 117.38 117.19 2a71 n GLN 146 Ca -0.01 -0.56 -0.48 0.00 -0.01 0.00 0.00 57.00 55.94 2a71 n GLN 146 Cb 0.49 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 2a71 n GLN 146 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2a71 n SER 147 N -0.54 3.47 0.21 1.08 7.64 -1.14 -4.84 113.62 119.50 2a71 n SER 147 Ca 0.13 0.98 0.08 0.00 1.01 0.00 0.00 58.87 61.07 2a71 n SER 147 Cb 0.36 -1.39 0.45 0.00 -1.01 0.00 0.00 64.21 62.61 2a71 n SER 147 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2a71 h PHE 148 N 8.87 0.00 -2.74 1.43 -5.15 -1.60 -3.46 116.94 114.29 2a71 h PHE 148 Ca -0.48 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.30 2a71 h PHE 148 Cb 1.27 0.00 -0.13 0.00 0.22 0.00 0.00 35.95 37.30 2a71 h PHE 148 CO 0.85 0.29 0.28 0.00 -2.00 0.00 0.00 178.31 177.73 2a71 s ALA 149 N -3.81 -1.67 -0.29 12.09 0.00 -1.24 -5.03 121.76 121.82 2a71 s ALA 149 Ca -0.01 0.69 -0.24 0.00 0.00 0.00 0.00 51.96 52.40 2a71 s ALA 149 Cb 0.12 0.69 0.15 0.00 0.00 0.00 0.00 23.12 24.07 2a71 s ALA 149 CO 0.66 -0.71 1.18 -1.54 0.00 0.00 0.00 175.76 175.35 2a71 s SER 150 N -2.55 -0.30 0.07 0.00 1.04 -1.26 -0.84 113.70 109.86 2a71 s SER 150 Ca 0.01 0.58 0.08 0.00 0.48 0.00 0.00 55.95 57.09 2a71 s SER 150 Cb -0.01 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 2a71 s SER 150 CO -0.10 -0.10 -0.21 0.00 0.98 0.00 0.00 173.24 173.81 2a71 n LEU 152 N 1.51 5.34 -3.15 0.00 4.77 -1.26 -1.21 117.00 123.01 2a71 n LEU 152 Ca -0.18 0.96 0.05 0.00 -0.03 0.00 0.00 56.01 56.80 2a71 n LEU 152 Cb 0.53 -1.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.06 2a71 n LEU 152 CO 0.23 -0.73 0.37 -0.32 -1.33 0.00 0.00 177.39 175.60 2a71 s MET 153 N -2.88 0.38 0.44 3.23 1.75 -0.39 -4.74 119.30 117.08 2a71 s MET 153 Ca 0.72 0.63 -0.25 0.00 -1.25 0.00 0.00 55.69 55.55 2a71 s MET 153 Cb -0.42 0.35 -0.08 0.00 2.84 0.00 0.00 34.83 37.52 2a71 s MET 153 CO 0.49 -0.44 1.27 0.20 -0.65 0.00 0.00 175.02 175.89 2a71 s GLY 154 N 2.91 2.88 0.00 2.11 0.00 -1.26 -3.60 107.32 110.36 2a71 s GLY 154 Ca 0.11 1.16 0.00 0.00 0.00 0.00 0.00 44.72 45.99 2a71 s GLY 154 CO -0.17 1.71 0.00 1.58 0.00 0.00 0.00 173.10 176.22 2a71 n TYR 155 N -0.18 0.00 -2.58 1.90 0.18 -1.26 -5.06 117.16 110.17 2a71 n TYR 155 Ca 0.05 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.51 2a71 n TYR 155 Cb 0.45 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.36 2a71 n TYR 155 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2a71 s GLN 156 N -0.53 3.99 -0.83 -3.48 -0.21 -1.26 -3.86 119.66 113.48 2a71 s GLN 156 Ca 0.00 1.12 -0.01 0.00 0.02 0.00 0.00 55.36 56.49 2a71 s GLN 156 Cb 0.00 -2.14 -0.01 0.00 1.00 0.00 0.00 33.01 31.86 2a71 s GLN 156 CO 0.00 -0.24 0.70 -0.25 -2.12 0.00 0.00 175.29 173.38 2a71 n ASP 157 N -1.10 -2.86 -3.73 5.90 10.43 -1.26 -5.04 116.55 118.89 2a71 n ASP 157 Ca 0.07 -0.46 -0.12 0.00 2.57 0.00 0.00 54.79 56.85 2a71 n ASP 157 Cb 0.54 -3.81 -0.10 0.00 1.84 0.00 0.00 41.12 39.58 2a71 n ASP 157 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2a71 s SER 158 N -3.79 -0.44 -0.01 -2.24 0.15 -1.26 -5.02 113.70 101.09 2a71 s SER 158 Ca 0.08 0.82 0.19 0.00 0.70 0.00 0.00 55.95 57.75 2a71 s SER 158 Cb -0.01 0.80 -0.20 0.00 -1.71 0.00 0.00 66.02 64.90 2a71 s SER 158 CO 0.52 -0.15 0.59 -0.24 1.20 0.00 0.00 173.24 175.16 2a71 n SER 159 N 3.26 0.45 -4.69 5.45 2.88 -1.26 -4.62 113.62 115.09 2a71 n SER 159 Ca -0.16 0.19 -0.42 0.00 -1.33 0.00 0.00 58.87 57.15 2a71 n SER 159 Cb 0.57 0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 64.84 2a71 n SER 159 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2a71 s VAL 160 N -3.02 3.38 0.84 2.46 1.01 -1.26 -5.03 120.40 118.77 2a71 s VAL 160 Ca -0.06 0.82 -0.10 0.00 0.00 0.00 0.00 61.98 62.65 2a71 s VAL 160 Cb 0.10 -3.53 0.14 0.00 0.00 0.00 0.00 36.38 33.09 2a71 s VAL 160 CO 0.84 0.00 1.17 -2.16 0.00 0.00 0.00 175.10 174.95 2a71 s PRO 161 N 2.36 1.36 0.03 2.72 0.04 -1.26 -4.99 135.00 135.25 2a71 s PRO 161 Ca 0.68 -0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.29 2a71 s PRO 161 Cb -0.35 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 2a71 s PRO 161 CO 0.29 -1.85 -0.13 -1.12 0.04 0.00 0.00 177.00 174.23 2a71 s SER 162 N -4.74 1.51 -0.17 6.66 0.01 -0.53 -4.96 113.70 111.48 2a71 s SER 162 Ca 0.68 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.49 2a71 s SER 162 Cb -0.06 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 2a71 s SER 162 CO 0.49 0.03 -0.05 -0.89 0.41 0.00 0.00 173.24 173.23 2a71 s THR 163 N -0.78 3.68 -0.21 1.44 2.01 -1.26 -0.74 115.64 119.78 2a71 s THR 163 Ca 0.01 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 2a71 s THR 163 Cb -0.07 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 2a71 s THR 163 CO 0.01 0.47 0.17 -0.63 -0.69 0.00 0.00 174.62 173.95 2a71 s ILE 164 N 0.69 5.37 -0.25 1.82 1.01 0.10 -1.62 121.20 128.32 2a71 s ILE 164 Ca -0.02 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 2a71 s ILE 164 Cb -0.15 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.84 2a71 s ILE 164 CO 0.02 0.39 -0.06 -0.60 0.00 0.00 0.00 174.94 174.70 2a71 s ARG 165 N 0.64 2.78 -0.15 2.79 3.52 -0.50 -1.22 118.95 126.82 2a71 s ARG 165 Ca 0.09 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.64 2a71 s ARG 165 Cb -0.12 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 2a71 s ARG 165 CO 0.01 -0.42 0.00 0.08 -0.81 0.00 0.00 175.30 174.16 2a71 s VAL 166 N 1.31 4.29 0.02 7.11 1.01 0.69 -1.15 120.40 133.68 2a71 s VAL 166 Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2a71 s VAL 166 Cb -0.17 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2a71 s VAL 166 CO -0.04 0.51 -0.14 0.42 0.00 0.00 0.00 175.10 175.85 2a71 s THR 167 N 0.09 1.07 -0.13 3.92 -4.23 -0.73 -0.94 115.64 114.69 2a71 s THR 167 Ca 0.02 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.73 2a71 s THR 167 Cb -0.13 -0.94 0.03 0.00 1.34 0.00 0.00 72.50 72.81 2a71 s THR 167 CO 0.02 0.14 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.71 2a71 s TYR 168 N -0.59 1.52 -0.35 3.99 5.04 -1.10 -0.95 117.35 124.91 2a71 s TYR 168 Ca 0.03 -0.84 -0.00 0.00 -2.44 0.00 0.00 57.07 53.82 2a71 s TYR 168 Cb -0.07 -1.24 0.09 0.00 0.35 0.00 0.00 41.96 41.09 2a71 s TYR 168 CO 0.00 -0.54 0.08 0.34 -1.34 0.00 0.00 175.55 174.09 2a71 s ASP 169 N 1.70 4.96 0.08 4.32 -1.08 0.45 -2.94 116.67 124.15 2a71 s ASP 169 Ca 0.03 -1.79 -0.30 0.00 -0.52 0.00 0.00 52.55 49.98 2a71 s ASP 169 Cb -0.14 -1.72 -0.17 0.00 -1.46 0.00 0.00 42.92 39.43 2a71 s ASP 169 CO -0.08 -0.39 1.66 0.25 0.52 0.00 0.00 175.17 177.13 2a71 h LEU 170 N 7.90 -0.53 -2.70 -1.34 7.12 -1.88 -2.53 115.31 121.35 2a71 h LEU 170 Ca -0.14 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.90 2a71 h LEU 170 Cb 1.04 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.32 2a71 h LEU 170 CO 0.58 -0.37 0.00 -0.33 -0.13 0.00 0.00 178.44 178.19 2a71 h GLU 171 N -0.61 0.00 -1.93 1.25 3.07 -1.94 -2.84 114.58 111.58 2a71 h GLU 171 Ca -0.06 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.22 2a71 h GLU 171 Cb 0.47 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 28.17 2a71 h GLU 171 CO 0.09 0.00 0.64 -3.47 -1.40 0.00 0.00 179.01 174.87 2a71 n ASP 172 N -3.51 6.88 -3.59 1.42 2.03 -1.05 -4.83 116.55 113.90 2a71 n ASP 172 Ca -0.03 -3.44 -0.22 0.00 0.52 0.00 0.00 54.79 51.62 2a71 n ASP 172 Cb 0.08 -1.16 0.07 0.00 -0.72 0.00 0.00 41.12 39.39 2a71 n ASP 172 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2a71 n ASP 173 N 0.29 -4.05 -3.64 1.67 8.00 -1.09 -3.18 116.55 114.55 2a71 n ASP 173 Ca 0.50 -0.63 -0.21 0.00 0.71 0.00 0.00 54.79 55.16 2a71 n ASP 173 Cb 0.45 -4.82 0.05 0.00 -0.02 0.00 0.00 41.12 36.79 2a71 n ASP 173 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2a71 n ASN 174 N -3.04 -2.34 -4.66 -2.24 3.02 -1.09 -4.75 115.26 100.16 2a71 n ASN 174 Ca -0.13 -0.73 -0.43 0.00 -0.03 0.00 0.00 54.58 53.26 2a71 n ASN 174 Cb 0.61 -4.43 -0.02 0.00 -0.61 0.00 0.00 39.78 35.33 2a71 n ASN 174 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2a71 s LEU 175 N -6.72 4.09 -0.31 3.41 2.96 -0.98 -4.05 118.68 117.09 2a71 s LEU 175 Ca 0.14 1.37 -0.07 0.00 -0.22 0.00 0.00 54.13 55.34 2a71 s LEU 175 Cb -0.07 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.10 2a71 s LEU 175 CO 0.78 -0.69 0.10 -0.22 -1.32 0.00 0.00 176.35 175.01 2a71 s LEU 176 N 3.23 4.00 -0.20 -0.68 2.96 -0.27 -0.42 118.68 127.31 2a71 s LEU 176 Ca 0.44 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2a71 s LEU 176 Cb -0.15 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.67 2a71 s LEU 176 CO 0.07 -0.23 -0.17 -0.75 -1.32 0.00 0.00 176.35 173.95 2a71 s LYS 177 N 1.50 2.76 -0.22 1.98 2.20 -0.12 -2.13 119.74 125.71 2a71 s LYS 177 Ca 0.02 -0.93 -0.06 0.00 -0.36 0.00 0.00 55.97 54.64 2a71 s LYS 177 Cb -0.18 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.50 2a71 s LYS 177 CO 0.03 -0.30 0.03 0.08 -0.36 0.00 0.00 175.35 174.83 2a71 s VAL 178 N 1.26 4.08 0.21 4.02 1.01 -0.43 -1.76 120.40 128.79 2a71 s VAL 178 Ca 0.02 -0.26 0.11 0.00 0.00 0.00 0.00 61.98 61.85 2a71 s VAL 178 Cb -0.15 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2a71 s VAL 178 CO -0.11 0.40 -0.22 -1.10 0.00 0.00 0.00 175.10 174.06 2a71 s GLN 179 N 1.22 1.58 -0.31 2.72 -0.21 -0.30 -1.35 119.66 123.01 2a71 s GLN 179 Ca 0.04 -1.56 -0.01 0.00 0.02 0.00 0.00 55.36 53.84 2a71 s GLN 179 Cb -0.15 -1.85 0.10 0.00 1.00 0.00 0.00 33.01 32.12 2a71 s GLN 179 CO 0.02 0.39 0.10 0.08 -2.12 0.00 0.00 175.29 173.76 2a71 s VAL 180 N -1.84 0.80 -0.99 1.09 1.01 -0.84 -1.41 120.40 118.23 2a71 s VAL 180 Ca 0.23 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 2a71 s VAL 180 Cb -0.07 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2a71 s VAL 180 CO 0.11 -0.67 0.84 0.47 0.00 0.00 0.00 175.10 175.85 2a71 n ASP 181 N 4.88 -3.53 -3.69 3.32 8.00 -0.64 -2.97 116.55 121.92 2a71 n ASP 181 Ca -0.02 -0.45 -0.25 0.00 0.71 0.00 0.00 54.79 54.77 2a71 n ASP 181 Cb 0.42 -4.06 0.06 0.00 -0.02 0.00 0.00 41.12 37.52 2a71 n ASP 181 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2a71 n ASN 182 N -2.37 -5.38 -3.74 -2.24 3.02 -1.26 -5.00 115.26 98.29 2a71 n ASN 182 Ca -0.12 -0.63 -0.28 0.00 -0.03 0.00 0.00 54.58 53.52 2a71 n ASN 182 Cb 0.59 -4.66 -0.16 0.00 -0.61 0.00 0.00 39.78 34.94 2a71 n ASN 182 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2a71 s LYS 183 N -6.32 0.70 -0.02 3.52 1.02 -1.16 -5.10 119.74 112.37 2a71 s LYS 183 Ca 0.54 -0.49 -0.36 0.00 0.02 0.00 0.00 55.97 55.69 2a71 s LYS 183 Cb -0.25 -2.12 -0.14 0.00 -0.52 0.00 0.00 37.83 34.80 2a71 s LYS 183 CO 0.76 -0.66 1.65 0.28 -0.92 0.00 0.00 175.35 176.46 2a71 n VAL 184 N 5.02 0.23 -0.07 3.17 0.31 -1.26 -1.99 118.33 123.75 2a71 n VAL 184 Ca -0.09 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 2a71 n VAL 184 Cb 0.47 -1.41 -0.14 0.00 -0.91 0.00 0.00 33.84 31.85 2a71 n VAL 184 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2a71 n PHE 186 N -3.03 0.00 -3.99 0.00 1.16 -1.04 -3.82 117.46 106.74 2a71 n PHE 186 Ca -0.30 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.19 2a71 n PHE 186 Cb 1.08 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.87 2a71 n PHE 186 CO 0.00 0.00 0.00 1.14 -1.87 0.00 0.00 176.76 176.03 2a71 s GLN 187 N -2.00 0.88 -0.03 3.97 -2.07 -1.26 -1.31 119.66 117.85 2a71 s GLN 187 Ca 0.00 -1.16 -0.30 0.00 -1.82 0.00 0.00 55.36 52.08 2a71 s GLN 187 Cb 0.00 0.30 0.11 0.00 -1.09 0.00 0.00 33.01 32.33 2a71 s GLN 187 CO 0.00 -0.27 0.99 -0.08 -1.32 0.00 0.00 175.29 174.61 2a71 s THR 188 N -3.94 0.00 -0.05 3.63 -1.32 -0.90 -5.00 115.64 108.06 2a71 s THR 188 Ca 0.12 -0.09 0.07 0.00 -1.21 0.00 0.00 61.69 60.58 2a71 s THR 188 Cb 0.06 -1.17 0.11 0.00 -1.51 0.00 0.00 72.50 69.98 2a71 s THR 188 CO -0.06 0.00 0.99 0.54 -2.21 0.00 0.00 174.62 173.88 2a71 n ARG 189 N -0.25 1.47 -0.18 7.08 1.74 -1.26 -1.12 116.66 124.15 2a71 n ARG 189 Ca -0.06 -1.69 0.11 0.00 -0.77 0.00 0.00 57.85 55.43 2a71 n ARG 189 Cb 0.61 -1.04 0.27 0.00 -1.02 0.00 0.00 32.46 31.28 2a71 n ARG 189 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2a71 n LYS 190 N -0.71 2.22 -5.02 5.56 5.02 -1.26 -4.84 118.16 119.13 2a71 n LYS 190 Ca 0.06 -1.85 -0.32 0.00 -2.02 0.00 0.00 58.31 54.18 2a71 n LYS 190 Cb 0.50 -1.46 -0.16 0.00 -0.02 0.00 0.00 35.03 33.89 2a71 n LYS 190 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2a71 s VAL 191 N -1.54 2.31 -0.11 -0.18 1.01 -1.26 -5.11 120.40 115.52 2a71 s VAL 191 Ca 0.36 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2a71 s VAL 191 Cb 0.20 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.69 2a71 s VAL 191 CO 0.29 0.55 -0.11 -0.13 0.00 0.00 0.00 175.10 175.70 2a71 s ARG 192 N 0.43 1.77 -0.46 2.72 0.52 -1.26 -4.88 118.95 117.79 2a71 s ARG 192 Ca -0.15 -0.37 -0.19 0.00 -0.52 0.00 0.00 55.73 54.50 2a71 s ARG 192 Cb -0.17 -1.67 0.04 0.00 0.52 0.00 0.00 34.95 33.67 2a71 s ARG 192 CO 0.06 -0.17 0.56 -0.06 0.02 0.00 0.00 175.30 175.72 2a71 s PHE 193 N 1.36 3.10 0.23 -0.53 0.08 -1.26 -5.05 117.98 115.90 2a71 s PHE 193 Ca -0.01 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.39 2a71 s PHE 193 Cb -0.14 -3.27 -0.09 0.00 -0.57 0.00 0.00 43.02 38.96 2a71 s PHE 193 CO -0.05 -0.87 1.21 -1.25 -0.10 0.00 0.00 175.22 174.15 2a71 s PRO 194 N 2.50 4.49 0.07 0.24 0.04 -1.26 -4.95 135.00 136.13 2a71 s PRO 194 Ca 0.16 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.98 2a71 s PRO 194 Cb -0.17 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 2a71 s PRO 194 CO 0.14 -0.06 0.34 0.43 0.04 0.00 0.00 177.00 177.89 2a71 n SER 195 N 1.98 -0.44 0.00 6.66 7.64 -1.26 -4.83 113.62 123.38 2a71 n SER 195 Ca 0.03 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2a71 n SER 195 Cb 0.44 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2a71 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a71 n GLY 196 N 0.92 -0.18 3.29 0.23 0.00 -1.20 -4.99 105.19 103.27 2a71 n GLY 196 Ca 0.09 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 2a71 n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a71 s SER 197 N -4.00 5.32 -0.09 1.61 0.01 -1.26 -0.54 113.70 114.75 2a71 s SER 197 Ca 0.00 -1.06 -0.05 0.00 1.31 0.00 0.00 55.95 56.16 2a71 s SER 197 Cb 0.00 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 2a71 s SER 197 CO 0.00 -0.31 0.11 -0.31 0.41 0.00 0.00 173.24 173.14 2a71 s TYR 198 N 1.43 3.47 0.14 2.43 1.51 0.15 -2.91 117.35 123.57 2a71 s TYR 198 Ca -0.01 0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 56.36 2a71 s TYR 198 Cb -0.19 -1.88 -0.06 0.00 -0.11 0.00 0.00 41.96 39.72 2a71 s TYR 198 CO 0.03 0.66 0.47 1.03 -1.11 0.00 0.00 175.55 176.62 2a71 s ARG 199 N -1.15 3.81 -0.06 -0.62 1.81 -0.57 -1.09 118.95 121.08 2a71 s ARG 199 Ca 0.17 0.25 0.01 0.00 -1.72 0.00 0.00 55.73 54.43 2a71 s ARG 199 Cb -0.12 -2.89 0.02 0.00 -0.45 0.00 0.00 34.95 31.51 2a71 s ARG 199 CO 0.06 0.48 -0.05 0.42 -0.68 0.00 0.00 175.30 175.52 2a71 s ILE 200 N -1.53 0.68 0.14 1.52 1.01 -1.26 -2.42 121.20 119.33 2a71 s ILE 200 Ca 0.38 -0.16 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 2a71 s ILE 200 Cb -0.13 -0.70 0.07 0.00 0.01 0.00 0.00 42.46 41.71 2a71 s ILE 200 CO 0.20 0.27 1.02 -0.83 0.00 0.00 0.00 174.94 175.60 2a71 s GLY 201 N 1.15 -0.14 -0.01 6.18 0.00 -1.21 -1.49 107.32 111.80 2a71 s GLY 201 Ca -0.07 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.72 2a71 s GLY 201 CO -0.01 0.75 -0.09 0.54 0.00 0.00 0.00 173.10 174.29 2a71 s VAL 202 N -2.85 0.73 0.04 1.40 0.11 -0.57 -1.07 120.40 118.19 2a71 s VAL 202 Ca 0.15 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 2a71 s VAL 202 Cb -0.01 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2a71 s VAL 202 CO 0.03 0.21 -0.10 0.42 -3.33 0.00 0.00 175.10 172.33 2a71 s THR 203 N -0.14 0.72 0.05 5.04 -4.23 -0.53 -1.85 115.64 114.71 2a71 s THR 203 Ca 0.02 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 2a71 s THR 203 Cb -0.04 -0.72 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 2a71 s THR 203 CO -0.00 -0.21 0.02 0.00 -0.54 0.00 0.00 174.62 173.88 2a71 s ALA 204 N -1.08 0.30 -0.09 3.99 0.00 -0.87 -0.23 121.76 123.79 2a71 s ALA 204 Ca -0.05 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 2a71 s ALA 204 Cb -0.08 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.35 2a71 s ALA 204 CO 0.01 -0.36 0.23 1.14 0.00 0.00 0.00 175.76 176.78 2a71 s GLN 205 N -3.53 0.24 0.12 0.00 -2.07 -1.04 -1.50 119.66 111.89 2a71 s GLN 205 Ca 0.03 0.39 0.20 0.00 -1.82 0.00 0.00 55.36 54.16 2a71 s GLN 205 Cb 0.05 0.04 -0.09 0.00 -1.09 0.00 0.00 33.01 31.92 2a71 s GLN 205 CO -0.09 -0.08 0.88 0.27 -1.32 0.00 0.00 175.29 174.96 2a71 n ASN 206 N 3.41 0.75 0.00 12.60 0.23 -1.03 -1.03 115.26 130.18 2a71 n ASN 206 Ca -0.17 0.31 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 2a71 n ASN 206 Cb 0.56 0.51 0.00 0.00 -2.08 0.00 0.00 39.78 38.77 2a71 n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2a71 n GLY 207 N 1.28 -1.55 0.06 4.83 0.00 -1.26 -3.75 105.19 104.80 2a71 n GLY 207 Ca -0.05 -1.48 0.01 0.00 0.00 0.00 0.00 46.02 44.51 2a71 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a71 n ALA 208 N 1.59 2.41 -2.16 4.61 0.00 -1.26 -2.32 120.51 123.38 2a71 n ALA 208 Ca 0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 2a71 n ALA 208 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 2a71 n ALA 208 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2a71 s VAL 209 N -0.62 3.81 -1.09 0.00 1.01 -1.26 -3.27 120.40 118.97 2a71 s VAL 209 Ca 0.02 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 62.93 2a71 s VAL 209 Cb 0.02 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2a71 s VAL 209 CO 0.06 -0.20 0.32 -3.20 0.00 0.00 0.00 175.10 172.08 2a71 n ASN 210 N 7.60 -4.58 -3.25 3.32 4.05 -1.26 -2.06 115.26 119.08 2a71 n ASN 210 Ca 0.17 -0.15 -0.18 0.00 0.45 0.00 0.00 54.58 54.86 2a71 n ASN 210 Cb 0.44 -3.51 -0.02 0.00 1.23 0.00 0.00 39.78 37.92 2a71 n ASN 210 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2a71 n ASN 211 N -1.03 -2.17 -4.76 1.20 5.03 -1.20 -4.87 115.26 107.44 2a71 n ASN 211 Ca -0.10 -0.21 -0.35 0.00 0.87 0.00 0.00 54.58 54.79 2a71 n ASN 211 Cb 0.59 -1.90 0.02 0.00 -1.02 0.00 0.00 39.78 37.48 2a71 n ASN 211 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2a71 s ASN 212 N -2.51 5.39 -0.44 6.41 2.20 -0.87 -4.86 114.94 120.26 2a71 s ASN 212 Ca 0.32 2.25 0.06 0.00 -0.94 0.00 0.00 52.86 54.54 2a71 s ASN 212 Cb -0.18 -2.58 0.42 0.00 -2.00 0.00 0.00 41.25 36.90 2a71 s ASN 212 CO 0.39 -1.45 1.09 0.00 -2.94 0.00 0.00 177.10 174.20 2a71 n ALA 213 N -1.59 4.94 -1.77 3.54 0.00 -1.26 -4.22 120.51 120.14 2a71 n ALA 213 Ca 0.12 -4.25 -0.40 0.00 0.00 0.00 0.00 53.44 48.90 2a71 n ALA 213 Cb 0.51 -0.57 0.01 0.00 0.00 0.00 0.00 19.45 19.39 2a71 n ALA 213 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2a71 s GLU 214 N -3.51 3.93 -0.28 0.00 2.12 -1.26 -4.67 118.70 115.04 2a71 s GLU 214 Ca 0.47 2.48 0.02 0.00 0.36 0.00 0.00 54.97 58.30 2a71 s GLU 214 Cb 0.40 -2.83 0.08 0.00 0.26 0.00 0.00 34.13 32.03 2a71 s GLU 214 CO -0.17 -0.64 -0.02 0.45 -0.54 0.00 0.00 175.26 174.33 2a71 s SER 215 N -0.33 4.32 -0.09 -1.70 0.15 -0.42 -4.35 113.70 111.28 2a71 s SER 215 Ca 0.56 -1.58 -0.21 0.00 0.70 0.00 0.00 55.95 55.42 2a71 s SER 215 Cb -0.45 -1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2a71 s SER 215 CO 0.59 -0.28 0.61 -0.36 1.20 0.00 0.00 173.24 175.00 2a71 s PHE 216 N 1.18 3.55 0.17 3.44 0.08 -1.25 -1.73 117.98 123.42 2a71 s PHE 216 Ca -0.00 1.11 0.08 0.00 0.12 0.00 0.00 56.93 58.24 2a71 s PHE 216 Cb -0.19 -2.71 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 2a71 s PHE 216 CO -0.08 0.12 -0.17 -1.21 -0.10 0.00 0.00 175.22 173.78 2a71 s GLU 217 N 0.72 1.25 -0.08 0.44 2.02 0.21 -0.99 118.70 122.27 2a71 s GLU 217 Ca 0.33 -1.42 0.03 0.00 0.02 0.00 0.00 54.97 53.92 2a71 s GLU 217 Cb -0.17 -1.21 0.01 0.00 0.10 0.00 0.00 34.13 32.86 2a71 s GLU 217 CO 0.15 0.23 -0.16 0.42 0.02 0.00 0.00 175.26 175.93 2a71 s ILE 218 N -2.29 1.42 -0.14 -1.63 -1.09 0.46 -2.18 121.20 115.75 2a71 s ILE 218 Ca 0.16 -0.64 -0.07 0.00 -2.23 0.00 0.00 60.65 57.87 2a71 s ILE 218 Cb -0.04 -1.27 -0.06 0.00 -1.58 0.00 0.00 42.46 39.51 2a71 s ILE 218 CO 0.06 0.42 -0.19 0.49 -1.23 0.00 0.00 174.94 174.49 2a71 n PHE 219 N 3.76 0.00 -4.26 3.97 3.01 -0.79 -1.02 117.46 122.13 2a71 n PHE 219 Ca -0.22 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.09 2a71 n PHE 219 Cb 0.52 -0.51 -0.10 0.00 -0.01 0.00 0.00 39.48 39.38 2a71 n PHE 219 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2a71 s LYS 220 N -2.27 1.09 -0.29 -1.08 2.20 -1.21 -4.62 119.74 113.56 2a71 s LYS 220 Ca -0.20 -1.44 -0.13 0.00 -0.36 0.00 0.00 55.97 53.84 2a71 s LYS 220 Cb 0.08 -0.73 0.11 0.00 -1.51 0.00 0.00 37.83 35.77 2a71 s LYS 220 CO 0.25 0.10 0.68 1.41 -0.36 0.00 0.00 175.35 177.44 2a71 s MET 221 N -3.59 0.63 0.02 4.03 1.75 -1.26 -2.52 119.30 118.36 2a71 s MET 221 Ca 0.16 1.33 0.07 0.00 -1.25 0.00 0.00 55.69 56.00 2a71 s MET 221 Cb 0.01 0.52 -0.02 0.00 2.84 0.00 0.00 34.83 38.18 2a71 s MET 221 CO 0.02 -0.17 -0.21 -0.65 -0.65 0.00 0.00 175.02 173.35 2a71 s GLN 222 N 2.28 1.57 -0.13 4.11 -0.21 0.37 -0.66 119.66 126.98 2a71 s GLN 222 Ca -0.08 -0.86 -0.02 0.00 0.02 0.00 0.00 55.36 54.42 2a71 s GLN 222 Cb -0.09 -1.61 0.04 0.00 1.00 0.00 0.00 33.01 32.36 2a71 s GLN 222 CO -0.19 0.43 -0.00 0.12 -2.12 0.00 0.00 175.29 173.52 2a71 s PHE 223 N -0.65 1.05 0.45 0.91 5.36 -1.26 -0.93 117.98 122.91 2a71 s PHE 223 Ca 0.08 -0.63 0.07 0.00 -0.96 0.00 0.00 56.93 55.49 2a71 s PHE 223 Cb -0.09 -1.01 -0.02 0.00 -0.34 0.00 0.00 43.02 41.56 2a71 s PHE 223 CO 0.01 -0.50 0.28 -0.06 -1.46 0.00 0.00 175.22 173.49 2a71 s PHE 224 N 1.85 2.34 -0.32 10.12 0.08 -0.60 -1.19 117.98 130.26 2a71 s PHE 224 Ca 0.02 -0.65 -0.03 0.00 0.12 0.00 0.00 56.93 56.40 2a71 s PHE 224 Cb -0.14 -1.99 0.05 0.00 -0.57 0.00 0.00 43.02 40.37 2a71 s PHE 224 CO -0.07 -0.06 0.03 -0.80 -0.10 0.00 0.00 175.22 174.23 2a71 s ASN 225 N -4.06 4.99 0.00 1.36 0.02 -1.26 -2.29 114.94 113.70 2a71 s ASN 225 Ca 0.39 -1.31 0.00 0.00 -1.02 0.00 0.00 52.86 50.92 2a71 s ASN 225 Cb 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 41.25 39.53 2a71 s ASN 225 CO 0.23 -0.29 0.00 0.61 0.02 0.00 0.00 177.10 177.66 2a71 n GLY 226 N 4.65 -2.38 0.83 0.66 0.00 -0.70 -4.89 105.19 103.36 2a71 n GLY 226 Ca -0.12 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.43 2a71 n GLY 226 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65