#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a71 s LEU 12 N 0.00 4.03 -0.20 -0.35 2.96 -1.26 -2.32 118.68 121.54 2a71 s LEU 12 Ca 0.00 2.27 -0.00 0.00 -0.22 0.00 0.00 54.13 56.17 2a71 s LEU 12 Cb 0.00 -4.24 0.02 0.00 0.50 0.00 0.00 46.19 42.47 2a71 s LEU 12 CO 0.00 -0.86 -0.16 -0.55 -1.32 0.00 0.00 176.35 173.46 2a71 s SER 13 N -1.40 3.49 0.11 3.68 0.15 0.45 -4.88 113.70 115.31 2a71 s SER 13 Ca 0.63 -0.64 -0.12 0.00 0.70 0.00 0.00 55.95 56.52 2a71 s SER 13 Cb -0.28 -1.55 -0.13 0.00 -1.71 0.00 0.00 66.02 62.36 2a71 s SER 13 CO 0.34 -0.02 1.35 0.28 1.20 0.00 0.00 173.24 176.38 2a71 h SER 14 N 7.97 0.97 0.60 5.45 0.02 -1.93 -3.08 113.55 123.54 2a71 h SER 14 Ca -0.43 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 59.93 2a71 h SER 14 Cb 1.14 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2a71 h SER 14 CO 0.62 1.39 0.00 0.44 -1.14 0.00 0.00 176.83 178.14 2a71 h ASP 15 N 0.60 0.00 -0.00 3.07 3.45 -1.96 -2.82 116.42 118.76 2a71 h ASP 15 Ca -0.02 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 2a71 h ASP 15 Cb 1.30 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.07 2a71 h ASP 15 CO 0.15 0.00 -0.06 -1.22 -1.57 0.00 0.00 179.24 176.54 2a71 n TYR 16 N -3.03 0.00 -4.58 4.55 4.01 -1.22 -4.93 117.16 111.96 2a71 n TYR 16 Ca -0.01 -1.06 -0.27 0.00 -0.16 0.00 0.00 57.90 56.41 2a71 n TYR 16 Cb 0.21 -0.16 -0.10 0.00 -0.31 0.00 0.00 39.34 38.98 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 -2.92 3.27 -0.19 7.72 0.01 -1.07 -4.32 113.70 116.20 2a71 s SER 17 Ca 0.33 -1.48 0.01 0.00 1.31 0.00 0.00 55.95 56.11 2a71 s SER 17 Cb 0.29 0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.60 2a71 s SER 17 CO 0.02 -0.66 -0.09 -0.22 0.41 0.00 0.00 173.24 172.69 2a71 s LEU 18 N -3.66 2.16 1.10 2.44 2.96 0.49 -4.97 118.68 119.20 2a71 s LEU 18 Ca 0.28 -0.85 -0.12 0.00 -0.22 0.00 0.00 54.13 53.22 2a71 s LEU 18 Cb 0.07 -1.17 0.25 0.00 0.50 0.00 0.00 46.19 45.83 2a71 s LEU 18 CO 0.14 -0.15 1.06 -2.84 -1.32 0.00 0.00 176.35 173.24 2a71 s PRO 19 N 1.44 -0.41 -0.50 0.98 0.02 -1.26 -3.70 135.00 131.57 2a71 s PRO 19 Ca -0.01 1.10 -0.46 0.00 0.02 0.00 0.00 61.00 61.65 2a71 s PRO 19 Cb -0.16 -1.59 -0.20 0.00 0.02 0.00 0.00 34.50 32.57 2a71 s PRO 19 CO -0.08 -3.46 1.70 -0.25 -0.33 0.00 0.00 177.00 174.57 2a71 n ASP 20 N -4.76 1.14 0.13 2.53 10.43 -1.26 -4.85 116.55 119.91 2a71 n ASP 20 Ca 0.06 1.10 0.11 0.00 2.57 0.00 0.00 54.79 58.63 2a71 n ASP 20 Cb 0.53 -0.89 0.04 0.00 1.84 0.00 0.00 41.12 42.65 2a71 n ASP 20 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2a71 h LEU 21 N 5.72 0.00 -9.61 0.64 3.38 -1.76 -3.39 115.31 110.28 2a71 h LEU 21 Ca -0.38 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.05 2a71 h LEU 21 Cb 1.38 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.19 2a71 h LEU 21 CO 1.00 0.03 0.95 0.00 0.09 0.00 0.00 178.44 180.51 2a71 n ILE 22 N -2.81 0.01 -0.83 1.22 3.06 -1.25 -0.68 119.36 118.09 2a71 n ILE 22 Ca 0.01 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 2a71 n ILE 22 Cb 0.56 -1.86 0.00 0.00 0.54 0.00 0.00 39.64 38.88 2a71 n ILE 22 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2a71 n ASN 23 N 3.86 -2.27 -4.70 9.51 5.03 -1.26 -5.00 115.26 120.44 2a71 n ASN 23 Ca 0.16 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.21 2a71 n ASN 23 Cb 0.33 -2.00 -0.05 0.00 -1.02 0.00 0.00 39.78 37.05 2a71 n ASN 23 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2a71 s THR 24 N -1.73 5.00 -0.12 3.41 2.01 0.15 -4.97 115.64 119.38 2a71 s THR 24 Ca 0.00 1.47 0.11 0.00 0.31 0.00 0.00 61.69 63.58 2a71 s THR 24 Cb 0.00 -4.06 -0.15 0.00 0.01 0.00 0.00 72.50 68.30 2a71 s THR 24 CO 0.00 0.18 0.04 -1.14 -0.69 0.00 0.00 174.62 173.00 2a71 n ARG 25 N 4.31 1.93 -4.64 4.92 0.63 -1.26 -4.73 116.66 117.81 2a71 n ARG 25 Ca 0.00 -0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 2a71 n ARG 25 Cb 0.50 -1.32 -0.11 0.00 0.45 0.00 0.00 32.46 31.98 2a71 n ARG 25 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2a71 s LYS 26 N -2.30 2.67 0.17 -0.14 2.20 -1.26 -5.02 119.74 116.06 2a71 s LYS 26 Ca -0.07 -0.60 -0.34 0.00 -0.36 0.00 0.00 55.97 54.61 2a71 s LYS 26 Cb 0.04 -2.54 -0.14 0.00 -1.51 0.00 0.00 37.83 33.68 2a71 s LYS 26 CO 0.51 0.65 1.49 0.28 -0.36 0.00 0.00 175.35 177.91 2a71 n VAL 27 N 2.13 0.24 -1.67 4.02 0.31 -1.26 -4.87 118.33 117.24 2a71 n VAL 27 Ca -0.17 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.67 2a71 n VAL 27 Cb 0.53 -1.39 -0.00 0.00 -0.91 0.00 0.00 33.84 32.07 2a71 n VAL 27 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2a71 n PRO 28 N 2.91 1.82 0.20 5.55 -0.02 -1.26 -4.87 135.00 139.32 2a71 n PRO 28 Ca 0.16 0.64 0.14 0.00 -2.02 0.00 0.00 63.50 62.42 2a71 n PRO 28 Cb 0.28 -2.21 0.53 0.00 -0.02 0.00 0.00 33.50 32.08 2a71 n PRO 28 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2a71 h ASN 29 N 2.18 0.00 0.04 2.55 -1.24 -2.01 -2.54 115.58 114.56 2a71 h ASN 29 Ca -0.45 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.56 2a71 h ASN 29 Cb 1.30 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.35 2a71 h ASN 29 CO 0.61 0.00 -0.02 -0.46 -1.29 0.00 0.00 177.43 176.27 2a71 n ASN 30 N -2.67 0.76 -4.37 1.15 6.94 -1.26 -4.88 115.26 110.93 2a71 n ASN 30 Ca 0.02 -1.18 -0.24 0.00 -0.02 0.00 0.00 54.58 53.17 2a71 n ASN 30 Cb 0.31 -0.01 -0.11 0.00 -2.36 0.00 0.00 39.78 37.61 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 -2.07 2.03 -0.05 -2.53 0.52 -0.96 -1.98 118.94 113.91 2a71 s TRP 31 Ca 0.41 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.15 2a71 s TRP 31 Cb 0.21 -1.01 0.00 0.00 -1.15 0.00 0.00 33.47 31.53 2a71 s TRP 31 CO 0.37 0.41 -0.16 -1.14 0.02 0.00 0.00 176.95 176.45 2a71 s GLN 32 N -2.76 1.82 0.33 4.98 0.74 -0.05 -4.80 119.66 119.92 2a71 s GLN 32 Ca 0.18 -0.56 0.05 0.00 0.05 0.00 0.00 55.36 55.08 2a71 s GLN 32 Cb -0.07 -1.54 -0.01 0.00 1.10 0.00 0.00 33.01 32.49 2a71 s GLN 32 CO 0.08 0.17 0.48 0.95 -0.55 0.00 0.00 175.29 176.42 2a71 s THR 33 N 0.23 4.30 0.16 -0.34 -4.23 -1.26 -1.48 115.64 113.02 2a71 s THR 33 Ca -0.08 -0.93 -0.17 0.00 -1.18 0.00 0.00 61.69 59.34 2a71 s THR 33 Cb -0.13 -3.51 0.03 0.00 1.34 0.00 0.00 72.50 70.23 2a71 s THR 33 CO 0.03 -0.22 0.46 -0.83 -0.54 0.00 0.00 174.62 173.52 2a71 s GLY 34 N -4.14 -0.19 0.00 3.99 0.00 -0.65 -4.94 107.32 101.38 2a71 s GLY 34 Ca 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2a71 s GLY 34 CO 0.32 -0.28 0.00 1.18 0.00 0.00 0.00 173.10 174.32 2a71 n GLU 35 N -0.28 0.00 -0.45 2.90 4.71 -1.26 -2.41 120.64 123.85 2a71 n GLU 35 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 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 2.57 -2.76 3.49 6.02 -0.29 -4.86 117.38 135.55 2a71 n GLN 36 Ca 0.00 -1.46 -0.42 0.00 -0.01 0.00 0.00 57.00 55.11 2a71 n GLN 36 Cb 0.00 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.43 2a71 n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a71 s ALA 37 N -1.76 3.65 0.16 -1.58 0.00 -1.01 -4.76 121.76 116.45 2a71 s ALA 37 Ca 0.26 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.31 2a71 s ALA 37 Cb 0.20 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2a71 s ALA 37 CO 0.07 -0.95 -0.02 -1.54 0.00 0.00 0.00 175.76 173.32 2a71 s SER 38 N 1.24 1.32 -0.45 0.00 1.04 -1.09 -4.52 113.70 111.24 2a71 s SER 38 Ca 0.41 -1.13 -0.20 0.00 0.48 0.00 0.00 55.95 55.51 2a71 s SER 38 Cb -0.15 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.09 2a71 s SER 38 CO 0.08 -0.51 0.59 -0.22 0.98 0.00 0.00 173.24 174.15 2a71 s LEU 39 N -3.16 4.69 0.00 2.42 2.96 -1.26 -0.97 118.68 123.36 2a71 s LEU 39 Ca 0.21 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2a71 s LEU 39 Cb 0.05 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.16 2a71 s LEU 39 CO 0.02 -0.76 0.00 -0.62 -1.32 0.00 0.00 176.35 173.67 2a71 n GLU 40 N 6.09 0.00 -3.71 1.98 -0.58 -0.69 -4.96 120.64 118.77 2a71 n GLU 40 Ca -0.04 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.41 2a71 n GLU 40 Cb 0.47 -0.02 -0.13 0.00 -0.57 0.00 0.00 31.44 31.20 2a71 n GLU 40 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2a71 s GLU 41 N 0.00 1.43 -0.84 3.49 2.02 -1.26 -4.76 118.70 118.78 2a71 s GLU 41 Ca 0.00 -2.23 0.00 0.00 0.02 0.00 0.00 54.97 52.76 2a71 s GLU 41 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.82 2a71 s GLU 41 CO 0.00 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.48 2a71 n GLY 42 N 3.21 0.90 3.37 -1.39 0.00 -1.26 -4.92 105.19 105.11 2a71 n GLY 42 Ca 0.13 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.38 0.95 -0.41 1.61 1.70 -1.26 -3.85 118.95 115.31 2a71 s ARG 43 Ca 0.00 -0.16 -0.22 0.00 -0.47 0.00 0.00 55.73 54.88 2a71 s ARG 43 Cb 0.00 0.43 0.02 0.00 -0.57 0.00 0.00 34.95 34.83 2a71 s ARG 43 CO 0.00 -0.32 0.74 0.42 -1.08 0.00 0.00 175.30 175.06 2a71 s ILE 44 N -2.02 4.74 -0.42 4.99 1.01 -0.65 -1.71 121.20 127.15 2a71 s ILE 44 Ca -0.08 0.51 -0.24 0.00 0.00 0.00 0.00 60.65 60.84 2a71 s ILE 44 Cb -0.01 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.24 2a71 s ILE 44 CO 0.01 -0.56 0.84 -0.69 0.00 0.00 0.00 174.94 174.54 2a71 s VAL 45 N 3.07 4.61 0.01 2.92 1.01 -0.14 -0.92 120.40 130.96 2a71 s VAL 45 Ca 0.28 0.74 -0.17 0.00 0.00 0.00 0.00 61.98 62.84 2a71 s VAL 45 Cb -0.13 -4.32 -0.35 0.00 0.00 0.00 0.00 36.38 31.58 2a71 s VAL 45 CO 0.19 -0.65 0.96 -0.07 0.00 0.00 0.00 175.10 175.53 2a71 h LEU 46 N 10.15 0.79 -8.39 3.92 3.38 -0.95 -2.88 115.31 121.33 2a71 h LEU 46 Ca -0.24 -0.93 -0.28 0.00 0.09 0.00 0.00 57.88 56.52 2a71 h LEU 46 Cb 1.08 -0.26 -0.17 0.00 0.09 0.00 0.00 40.66 41.40 2a71 h LEU 46 CO 0.97 1.68 -0.72 0.42 0.09 0.00 0.00 178.44 180.88 2a71 s THR 47 N -2.57 0.77 0.00 0.22 -4.23 -1.23 -2.79 115.64 105.80 2a71 s THR 47 Ca -0.10 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2a71 s THR 47 Cb 0.04 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.57 2a71 s THR 47 CO 0.93 -0.63 0.00 -1.54 -0.54 0.00 0.00 174.62 172.84 2a71 n SER 48 N 0.55 0.00 -4.94 3.99 3.41 -1.26 -3.19 113.62 112.18 2a71 n SER 48 Ca -0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.19 2a71 n SER 48 Cb 0.58 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 2a71 n SER 48 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2a71 s ASN 49 N -0.06 6.36 0.25 4.04 -0.87 -1.26 -4.94 114.94 118.47 2a71 s ASN 49 Ca 0.00 0.33 -0.29 0.00 -1.57 0.00 0.00 52.86 51.33 2a71 s ASN 49 Cb 0.00 -1.98 -0.15 0.00 -0.02 0.00 0.00 41.25 39.11 2a71 s ASN 49 CO 0.00 -0.06 0.99 0.00 -2.57 0.00 0.00 177.10 175.46 2a71 n GLN 50 N -0.86 1.15 -3.96 -0.60 6.02 -1.26 -2.80 117.38 115.07 2a71 n GLN 50 Ca -0.06 0.41 -0.40 0.00 -0.01 0.00 0.00 57.00 56.94 2a71 n GLN 50 Cb 0.54 -1.76 0.02 0.00 1.02 0.00 0.00 30.24 30.06 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 1.49 -4.49 -4.80 1.08 4.05 -1.07 -5.00 115.26 106.51 2a71 n ASN 51 Ca 0.12 -1.19 -0.22 0.00 0.45 0.00 0.00 54.58 53.74 2a71 n ASN 51 Cb 0.29 -1.96 -0.05 0.00 1.23 0.00 0.00 39.78 39.30 2a71 n ASN 51 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2a71 s SER 52 N -3.42 4.86 0.03 1.20 1.04 -1.12 -4.91 113.70 111.39 2a71 s SER 52 Ca 0.40 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 2a71 s SER 52 Cb -0.21 -0.68 -0.02 0.00 0.10 0.00 0.00 66.02 65.21 2a71 s SER 52 CO 0.94 -0.46 0.03 -0.54 0.98 0.00 0.00 173.24 174.18 2a71 s LYS 53 N -3.97 0.50 -0.21 4.02 1.02 -1.26 -2.44 119.74 117.40 2a71 s LYS 53 Ca 0.42 -0.80 -0.19 0.00 0.02 0.00 0.00 55.97 55.42 2a71 s LYS 53 Cb -0.02 0.18 0.05 0.00 -0.52 0.00 0.00 37.83 37.53 2a71 s LYS 53 CO 0.25 -0.10 0.56 0.20 -0.92 0.00 0.00 175.35 175.33 2a71 s GLY 54 N -2.07 -0.42 0.17 -3.33 0.00 -0.54 -1.13 107.32 99.99 2a71 s GLY 54 Ca -0.06 1.58 0.09 0.00 0.00 0.00 0.00 44.72 46.33 2a71 s GLY 54 CO -0.04 1.38 -0.11 -1.35 0.00 0.00 0.00 173.10 172.98 2a71 s SER 55 N 0.34 4.21 -0.26 1.64 1.04 -1.03 -1.49 113.70 118.14 2a71 s SER 55 Ca -0.00 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 2a71 s SER 55 Cb -0.04 -0.70 0.15 0.00 0.10 0.00 0.00 66.02 65.53 2a71 s SER 55 CO 0.00 0.12 0.42 -0.22 0.98 0.00 0.00 173.24 174.54 2a71 s LEU 56 N -2.68 -0.81 0.13 2.42 2.96 -0.75 -1.64 118.68 118.32 2a71 s LEU 56 Ca 0.24 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 2a71 s LEU 56 Cb -0.09 1.28 -0.04 0.00 0.50 0.00 0.00 46.19 47.84 2a71 s LEU 56 CO 0.14 -0.31 -0.17 0.26 -1.32 0.00 0.00 176.35 174.96 2a71 s TRP 57 N 2.60 1.60 0.27 5.38 0.52 -0.55 -1.49 118.94 127.27 2a71 s TRP 57 Ca 0.13 -0.49 -0.29 0.00 0.02 0.00 0.00 56.10 55.46 2a71 s TRP 57 Cb -0.14 -0.83 -0.09 0.00 -1.15 0.00 0.00 33.47 31.25 2a71 s TRP 57 CO -0.21 0.21 1.17 -0.51 0.02 0.00 0.00 176.95 177.63 2a71 s LEU 58 N -2.35 4.50 -0.02 2.99 1.43 -0.64 -0.87 118.68 123.72 2a71 s LEU 58 Ca 0.10 2.36 -0.26 0.00 -1.03 0.00 0.00 54.13 55.30 2a71 s LEU 58 Cb -0.07 -3.63 -0.20 0.00 0.03 0.00 0.00 46.19 42.33 2a71 s LEU 58 CO 0.04 -0.29 1.25 0.11 0.23 0.00 0.00 176.35 177.70 2a71 h LYS 59 N 4.04 -0.04 -6.83 1.70 1.57 -1.73 -3.45 116.57 111.83 2a71 h LYS 59 Ca -0.47 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.83 2a71 h LYS 59 Cb 1.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 2a71 h LYS 59 CO 0.68 0.43 0.15 -0.65 -0.57 0.00 0.00 179.45 179.49 2a71 s GLN 60 N -4.27 3.95 -0.01 3.15 -1.52 -1.26 -4.79 119.66 114.90 2a71 s GLN 60 Ca -0.16 0.67 -0.16 0.00 -1.95 0.00 0.00 55.36 53.76 2a71 s GLN 60 Cb 0.02 -2.37 -0.06 0.00 -0.22 0.00 0.00 33.01 30.38 2a71 s GLN 60 CO 0.66 0.04 0.44 0.20 -0.25 0.00 0.00 175.29 176.38 2a71 s GLY 61 N -2.61 2.49 -0.11 3.09 0.00 -1.26 -4.87 107.32 104.05 2a71 s GLY 61 Ca 0.54 -0.18 -0.25 0.00 0.00 0.00 0.00 44.72 44.83 2a71 s GLY 61 CO 0.22 0.28 0.79 -0.12 0.00 0.00 0.00 173.10 174.28 2a71 s PHE 62 N -0.82 3.51 -0.77 1.90 5.36 -0.20 -4.81 117.98 122.15 2a71 s PHE 62 Ca 0.25 1.29 -0.21 0.00 -0.96 0.00 0.00 56.93 57.30 2a71 s PHE 62 Cb -0.17 -2.94 0.10 0.00 -0.34 0.00 0.00 43.02 39.67 2a71 s PHE 62 CO 0.14 -0.08 1.02 0.34 -1.46 0.00 0.00 175.22 175.17 2a71 s ASP 63 N 1.00 6.35 -0.24 6.13 3.68 -1.26 -0.09 116.67 132.25 2a71 s ASP 63 Ca 0.39 -1.44 -0.29 0.00 2.13 0.00 0.00 52.55 53.34 2a71 s ASP 63 Cb -0.18 -2.40 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 2a71 s ASP 63 CO 0.16 -1.27 1.14 -0.22 0.13 0.00 0.00 175.17 175.11 2a71 s LEU 64 N 3.45 4.07 0.00 -1.34 2.96 -0.64 -4.83 118.68 122.35 2a71 s LEU 64 Ca 0.26 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.55 2a71 s LEU 64 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.03 2a71 s LEU 64 CO 0.02 -0.78 0.00 0.29 -1.32 0.00 0.00 176.35 174.56 2a71 n LYS 65 N 6.61 0.00 -1.75 1.98 5.02 -1.26 -3.13 118.16 125.63 2a71 n LYS 65 Ca 0.13 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.39 2a71 n LYS 65 Cb 0.46 -0.46 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2a71 n LYS 65 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2a71 n ASP 66 N -2.54 1.23 -4.66 4.39 10.43 -1.26 -4.98 116.55 119.16 2a71 n ASP 66 Ca 0.00 -1.18 -0.30 0.00 2.57 0.00 0.00 54.79 55.88 2a71 n ASP 66 Cb 0.29 -0.00 0.17 0.00 1.84 0.00 0.00 41.12 43.41 2a71 n ASP 66 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2a71 s SER 67 N -1.29 2.87 0.08 -2.24 0.01 -1.26 -4.91 113.70 106.95 2a71 s SER 67 Ca 0.03 1.87 -0.25 0.00 1.31 0.00 0.00 55.95 58.91 2a71 s SER 67 Cb -0.00 -2.44 0.06 0.00 0.21 0.00 0.00 66.02 63.86 2a71 s SER 67 CO 0.02 -3.08 0.59 0.72 0.41 0.00 0.00 173.24 171.90 2a71 s PHE 68 N -2.70 -0.53 -0.04 2.43 -0.12 -0.82 -2.17 117.98 114.02 2a71 s PHE 68 Ca 0.66 0.56 0.04 0.00 -0.05 0.00 0.00 56.93 58.13 2a71 s PHE 68 Cb -0.21 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.63 2a71 s PHE 68 CO 0.59 -0.73 -0.14 0.99 -0.05 0.00 0.00 175.22 175.87 2a71 s THR 69 N -2.77 1.21 -0.16 -4.49 2.01 -0.66 -0.93 115.64 109.85 2a71 s THR 69 Ca -0.04 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 2a71 s THR 69 Cb -0.01 -1.05 0.05 0.00 0.01 0.00 0.00 72.50 71.50 2a71 s THR 69 CO -0.04 0.36 0.01 -0.32 -0.69 0.00 0.00 174.62 173.93 2a71 s MET 70 N 0.13 0.81 -0.19 4.92 0.00 0.33 -0.50 119.30 124.80 2a71 s MET 70 Ca -0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 55.69 55.28 2a71 s MET 70 Cb -0.11 -1.85 -0.01 0.00 0.00 0.00 0.00 34.83 32.85 2a71 s MET 70 CO 0.02 -0.53 -0.06 -1.21 0.00 0.00 0.00 175.02 173.24 2a71 s GLU 71 N 1.83 3.43 0.01 4.11 2.02 0.65 -0.48 118.70 130.27 2a71 s GLU 71 Ca 0.01 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.41 2a71 s GLU 71 Cb -0.16 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 2a71 s GLU 71 CO -0.07 -0.05 -0.04 -1.58 0.02 0.00 0.00 175.26 173.54 2a71 s TRP 72 N 1.09 2.95 -0.11 1.61 0.52 0.51 -0.14 118.94 125.38 2a71 s TRP 72 Ca 0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 56.10 56.13 2a71 s TRP 72 Cb -0.15 -1.62 0.02 0.00 -1.15 0.00 0.00 33.47 30.58 2a71 s TRP 72 CO -0.01 0.41 -0.09 0.99 0.02 0.00 0.00 176.95 178.28 2a71 s THR 73 N -1.06 1.08 0.22 2.01 2.01 0.17 -0.91 115.64 119.16 2a71 s THR 73 Ca 0.19 -0.34 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 2a71 s THR 73 Cb -0.11 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 2a71 s THR 73 CO 0.09 0.37 0.38 0.72 -0.69 0.00 0.00 174.62 175.50 2a71 s PHE 74 N 1.57 0.47 0.14 4.92 -0.12 -0.64 -1.01 117.98 123.31 2a71 s PHE 74 Ca 0.03 -0.81 -0.13 0.00 -0.05 0.00 0.00 56.93 55.96 2a71 s PHE 74 Cb -0.13 0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.31 2a71 s PHE 74 CO -0.07 -0.88 0.35 0.50 -0.05 0.00 0.00 175.22 175.08 2a71 s ARG 75 N -4.02 1.09 -0.04 1.99 3.52 -0.90 -0.81 118.95 119.78 2a71 s ARG 75 Ca 0.23 -0.89 0.05 0.00 -0.13 0.00 0.00 55.73 55.00 2a71 s ARG 75 Cb 0.01 0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 33.83 2a71 s ARG 75 CO 0.07 -0.42 -0.20 0.45 -0.81 0.00 0.00 175.30 174.39 2a71 s SER 76 N -2.86 2.48 0.03 -2.12 0.15 -1.26 -1.76 113.70 108.37 2a71 s SER 76 Ca 0.07 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.28 2a71 s SER 76 Cb 0.02 -0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 63.77 2a71 s SER 76 CO -0.08 0.21 0.06 0.68 1.20 0.00 0.00 173.24 175.32 2a71 s VAL 77 N -0.19 0.13 0.00 4.45 -7.23 -0.61 -2.28 120.40 114.67 2a71 s VAL 77 Ca 0.00 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2a71 s VAL 77 Cb -0.11 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.04 2a71 s VAL 77 CO 0.02 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.81 2a71 n GLY 78 N 0.92 0.92 3.65 2.32 0.00 -1.26 -1.06 105.19 110.67 2a71 n GLY 78 Ca -0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 -0.29 -0.19 1.61 5.04 -1.26 -4.48 117.35 115.77 2a71 s TYR 79 Ca 0.00 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.26 2a71 s TYR 79 Cb 0.00 0.26 0.04 0.00 0.35 0.00 0.00 41.96 42.60 2a71 s TYR 79 CO 0.00 -0.14 -0.13 0.45 -1.34 0.00 0.00 175.55 174.38 2a71 s SER 80 N 0.88 3.34 0.00 4.32 0.15 -1.26 -4.45 113.70 116.68 2a71 s SER 80 Ca -0.05 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2a71 s SER 80 Cb -0.03 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 2a71 s SER 80 CO -0.12 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2a71 n GLY 81 N 4.65 3.11 3.76 9.45 0.00 -1.26 -5.12 105.19 119.78 2a71 n GLY 81 Ca -0.17 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.16 4.53 0.15 1.61 0.74 -1.26 -5.03 119.66 118.24 2a71 s GLN 82 Ca 0.00 1.96 -0.12 0.00 0.05 0.00 0.00 55.36 57.25 2a71 s GLN 82 Cb 0.00 -3.15 0.01 0.00 1.10 0.00 0.00 33.01 30.97 2a71 s GLN 82 CO 0.00 0.05 0.34 0.95 -0.55 0.00 0.00 175.29 176.08 2a71 s THR 83 N -1.10 0.07 -1.49 -0.34 -4.23 -1.26 -4.92 115.64 102.36 2a71 s THR 83 Ca 0.46 -1.11 0.12 0.00 -1.18 0.00 0.00 61.69 59.98 2a71 s THR 83 Cb -0.35 -1.61 0.43 0.00 1.34 0.00 0.00 72.50 72.32 2a71 s THR 83 CO 0.45 -0.32 1.30 -0.90 -0.54 0.00 0.00 174.62 174.61 2a71 n ASP 84 N -0.22 2.91 -2.58 3.99 5.68 -1.26 -3.85 116.55 121.22 2a71 n ASP 84 Ca -0.10 -2.20 -0.05 0.00 -0.50 0.00 0.00 54.79 51.94 2a71 n ASP 84 Cb 0.63 -0.41 0.04 0.00 -1.14 0.00 0.00 41.12 40.24 2a71 n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a71 n GLY 85 N 0.92 -2.12 0.00 6.12 0.00 -1.26 -4.79 105.19 104.07 2a71 n GLY 85 Ca 0.16 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2a71 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a71 n GLY 86 N 1.88 3.74 3.37 -0.02 0.00 -0.27 -4.65 105.19 109.25 2a71 n GLY 86 Ca 0.03 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 2.59 -0.01 -0.61 2.07 -0.44 -2.74 121.20 120.06 2a71 s ILE 87 Ca 0.00 -0.88 0.01 0.00 -1.41 0.00 0.00 60.65 58.37 2a71 s ILE 87 Cb 0.00 -1.99 0.00 0.00 0.13 0.00 0.00 42.46 40.60 2a71 s ILE 87 CO 0.00 0.57 -0.04 -0.94 -1.91 0.00 0.00 174.94 172.62 2a71 s SER 88 N -0.33 0.57 -0.07 4.50 1.04 -0.17 -0.51 113.70 118.73 2a71 s SER 88 Ca 0.02 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.38 2a71 s SER 88 Cb -0.13 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 2a71 s SER 88 CO 0.02 0.03 -0.10 -0.36 0.98 0.00 0.00 173.24 173.81 2a71 s PHE 89 N 0.10 2.84 -0.02 5.02 0.08 0.81 -1.75 117.98 125.06 2a71 s PHE 89 Ca -0.01 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 56.97 2a71 s PHE 89 Cb -0.04 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 2a71 s PHE 89 CO -0.00 0.21 -0.18 -1.58 -0.10 0.00 0.00 175.22 173.57 2a71 s TRP 90 N -0.61 1.67 -0.42 0.36 0.52 -0.70 -0.46 118.94 119.30 2a71 s TRP 90 Ca 0.09 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.89 2a71 s TRP 90 Cb -0.11 -1.09 0.17 0.00 -1.15 0.00 0.00 33.47 31.29 2a71 s TRP 90 CO 0.02 -0.07 0.39 0.12 0.02 0.00 0.00 176.95 177.43 2a71 s PHE 91 N -0.31 0.51 0.05 -1.98 5.36 -0.71 -3.11 117.98 117.79 2a71 s PHE 91 Ca 0.04 -1.85 0.07 0.00 -0.96 0.00 0.00 56.93 54.23 2a71 s PHE 91 Cb -0.08 -0.68 -0.02 0.00 -0.34 0.00 0.00 43.02 41.89 2a71 s PHE 91 CO 0.00 -0.91 -0.19 0.14 -1.46 0.00 0.00 175.22 172.81 2a71 s VAL 92 N 0.42 1.49 0.05 3.12 -7.23 -1.02 -1.53 120.40 115.71 2a71 s VAL 92 Ca 0.29 -1.16 -0.28 0.00 -1.81 0.00 0.00 61.98 59.02 2a71 s VAL 92 Cb -0.02 -1.32 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 2a71 s VAL 92 CO -0.14 0.12 0.91 -1.58 -0.31 0.00 0.00 175.10 174.10 2a71 s GLN 93 N -1.21 4.59 -0.24 4.82 0.74 0.15 -0.07 119.66 128.44 2a71 s GLN 93 Ca 0.05 1.32 -0.31 0.00 0.05 0.00 0.00 55.36 56.48 2a71 s GLN 93 Cb -0.09 -3.41 0.17 0.00 1.10 0.00 0.00 33.01 30.79 2a71 s GLN 93 CO 0.02 0.13 1.26 0.34 -0.55 0.00 0.00 175.29 176.49 2a71 s ASP 94 N 0.36 -0.13 0.00 6.67 -1.08 -1.12 -4.47 116.67 116.91 2a71 s ASP 94 Ca 0.46 0.11 0.31 0.00 -0.52 0.00 0.00 52.55 52.91 2a71 s ASP 94 Cb -0.22 0.11 1.70 0.00 -1.46 0.00 0.00 42.92 43.05 2a71 s ASP 94 CO 0.27 -0.13 2.12 -1.54 0.52 0.00 0.00 175.17 176.40 2a71 n SER 95 N 0.45 0.21 -1.82 -0.34 3.41 -1.26 -4.59 113.62 109.68 2a71 n SER 95 Ca -0.02 -0.89 -0.04 0.00 -0.26 0.00 0.00 58.87 57.66 2a71 n SER 95 Cb 0.58 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 2a71 n SER 95 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2a71 n ASN 96 N -0.91 -1.00 -4.68 4.04 6.94 -1.26 -5.03 115.26 113.36 2a71 n ASN 96 Ca 0.21 -1.68 -0.42 0.00 -0.02 0.00 0.00 54.58 52.67 2a71 n ASN 96 Cb 0.17 1.66 -0.03 0.00 -2.36 0.00 0.00 39.78 39.22 2a71 n ASN 96 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2a71 s ILE 97 N -2.57 2.76 0.06 1.53 1.01 -1.26 -4.86 121.20 117.86 2a71 s ILE 97 Ca 0.07 0.10 -0.36 0.00 0.00 0.00 0.00 60.65 60.47 2a71 s ILE 97 Cb -0.02 -3.07 -0.15 0.00 0.01 0.00 0.00 42.46 39.23 2a71 s ILE 97 CO 0.05 -0.00 1.49 -2.65 0.00 0.00 0.00 174.94 173.83 2a71 n PRO 98 N 6.27 1.53 0.13 2.79 -0.02 -1.26 -4.90 135.00 139.54 2a71 n PRO 98 Ca 0.18 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2a71 n PRO 98 Cb 0.39 -2.25 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2a71 n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a71 h ARG 99 N 5.55 0.00 -6.77 -0.52 3.08 -2.00 -3.46 114.38 110.25 2a71 h ARG 99 Ca -0.47 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.08 2a71 h ARG 99 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2a71 h ARG 99 CO 0.84 0.61 0.44 0.34 -1.07 0.00 0.00 179.97 181.13 2a71 s ASP 100 N -6.52 7.39 -0.07 7.04 2.15 -1.26 -4.96 116.67 120.43 2a71 s ASP 100 Ca 0.03 2.15 0.11 0.00 0.43 0.00 0.00 52.55 55.26 2a71 s ASP 100 Cb 0.09 -2.62 0.18 0.00 -0.30 0.00 0.00 42.92 40.26 2a71 s ASP 100 CO 0.76 -0.06 1.09 0.29 -0.17 0.00 0.00 175.17 177.08 2a71 n LYS 101 N 1.43 0.68 0.00 4.34 4.76 -1.19 -1.68 118.16 126.50 2a71 n LYS 101 Ca -0.01 -1.90 0.13 0.00 -2.87 0.00 0.00 58.31 53.66 2a71 n LYS 101 Cb 0.46 -1.01 0.42 0.00 -1.84 0.00 0.00 35.03 33.06 2a71 n LYS 101 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2a71 n GLN 102 N -0.72 0.06 -3.86 1.97 6.02 -0.27 -3.43 117.38 117.16 2a71 n GLN 102 Ca 0.09 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.75 2a71 n GLN 102 Cb 0.69 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.31 2a71 n GLN 102 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2a71 s LEU 103 N -2.95 3.65 -1.11 1.08 2.96 -0.19 -4.76 118.68 117.36 2a71 s LEU 103 Ca 0.14 -2.67 -0.05 0.00 -0.22 0.00 0.00 54.13 51.33 2a71 s LEU 103 Cb 0.18 -1.37 0.01 0.00 0.50 0.00 0.00 46.19 45.51 2a71 s LEU 103 CO 0.62 -0.28 0.95 -1.22 -1.32 0.00 0.00 176.35 175.11 2a71 n TYR 104 N 3.53 -2.25 -1.53 5.38 4.01 -1.26 -1.33 117.16 123.71 2a71 n TYR 104 Ca 0.06 0.84 -0.18 0.00 -0.16 0.00 0.00 57.90 58.46 2a71 n TYR 104 Cb 0.35 -4.50 -0.08 0.00 -0.31 0.00 0.00 39.34 34.81 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 -2.49 -5.44 -2.89 7.72 5.15 -1.22 -3.57 115.26 112.52 2a71 n ASN 105 Ca -0.08 0.45 -0.15 0.00 -0.60 0.00 0.00 54.58 54.20 2a71 n ASN 105 Cb 0.58 -4.54 -0.04 0.00 -0.53 0.00 0.00 39.78 35.25 2a71 n ASN 105 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2a71 n GLY 106 N -0.41 3.61 3.61 8.20 0.00 -0.44 -4.67 105.19 115.09 2a71 n GLY 106 Ca -0.18 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 2a71 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a71 s PRO 107 N -2.91 3.60 0.53 1.61 0.04 -0.68 -1.02 135.00 136.19 2a71 s PRO 107 Ca 0.12 1.14 0.31 0.00 0.04 0.00 0.00 61.00 62.60 2a71 s PRO 107 Cb 0.01 -4.03 1.45 0.00 0.04 0.00 0.00 34.50 31.96 2a71 s PRO 107 CO 0.08 -1.52 2.04 -0.24 0.04 0.00 0.00 177.00 177.39 2a71 h VAL 108 N 6.42 0.32 -2.06 -0.36 3.04 -1.86 -3.27 116.25 118.48 2a71 h VAL 108 Ca -0.29 -0.58 -0.71 0.00 -1.01 0.00 0.00 66.70 64.11 2a71 h VAL 108 Cb 1.12 1.44 -0.33 0.00 -2.01 0.00 0.00 31.29 31.51 2a71 h VAL 108 CO 1.06 0.09 0.37 -0.46 -1.01 0.00 0.00 177.57 177.61 2a71 n ASN 109 N -3.35 6.32 -4.94 3.17 0.23 -1.26 -2.47 115.26 112.96 2a71 n ASN 109 Ca -0.01 -3.74 -0.24 0.00 -0.53 0.00 0.00 54.58 50.06 2a71 n ASN 109 Cb 0.28 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 37.09 2a71 n ASN 109 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 2a71 s TYR 110 N -3.94 3.37 -0.40 -2.53 -0.85 -1.23 -4.59 117.35 107.18 2a71 s TYR 110 Ca 0.46 0.37 0.01 0.00 -0.52 0.00 0.00 57.07 57.40 2a71 s TYR 110 Cb 0.32 -2.18 0.13 0.00 0.38 0.00 0.00 41.96 40.61 2a71 s TYR 110 CO -0.22 -0.19 0.21 0.34 -1.52 0.00 0.00 175.55 174.17 2a71 s ASP 111 N -4.14 3.51 0.00 -0.18 2.15 -1.26 -1.64 116.67 115.10 2a71 s ASP 111 Ca 0.45 -2.39 0.00 0.00 0.43 0.00 0.00 52.55 51.05 2a71 s ASP 111 Cb -0.10 -0.84 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 2a71 s ASP 111 CO 0.39 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.70 2a71 n GLY 112 N 3.84 -0.01 3.02 2.66 0.00 -1.03 0.32 105.19 113.98 2a71 n GLY 112 Ca 0.08 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 1.61 -0.12 0.99 2.96 -0.58 -3.22 118.68 120.32 2a71 s LEU 113 Ca 0.00 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2a71 s LEU 113 Cb 0.00 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 2a71 s LEU 113 CO 0.00 -0.01 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.38 2a71 s GLN 114 N 1.10 3.27 -0.24 1.98 0.74 0.24 -1.74 119.66 125.00 2a71 s GLN 114 Ca -0.05 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.81 2a71 s GLN 114 Cb -0.14 -2.75 0.03 0.00 1.10 0.00 0.00 33.01 31.24 2a71 s GLN 114 CO -0.02 0.42 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.52 2a71 s LEU 115 N -0.13 3.01 -0.20 3.68 1.43 0.39 -1.06 118.68 125.81 2a71 s LEU 115 Ca 0.02 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.13 2a71 s LEU 115 Cb -0.13 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2a71 s LEU 115 CO 0.03 -0.11 -0.02 -0.22 0.23 0.00 0.00 176.35 176.25 2a71 s LEU 116 N 1.27 3.13 -0.38 1.79 2.96 -1.02 -0.13 118.68 126.30 2a71 s LEU 116 Ca -0.01 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.54 2a71 s LEU 116 Cb -0.17 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.77 2a71 s LEU 116 CO -0.07 0.05 0.21 -0.69 -1.32 0.00 0.00 176.35 174.54 2a71 s VAL 117 N 1.05 4.54 0.18 1.68 1.01 0.33 -1.37 120.40 127.82 2a71 s VAL 117 Ca 0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2a71 s VAL 117 Cb -0.14 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2a71 s VAL 117 CO 0.01 -0.25 0.28 -0.90 0.00 0.00 0.00 175.10 174.24 2a71 n ASP 118 N 4.99 -0.78 -1.06 3.32 5.75 -1.16 -1.33 116.55 126.27 2a71 n ASP 118 Ca -0.12 -1.93 0.01 0.00 -0.01 0.00 0.00 54.79 52.75 2a71 n ASP 118 Cb 0.46 1.42 0.00 0.00 -1.03 0.00 0.00 41.12 41.97 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 -1.75 0.43 -1.25 -1.12 0.23 -1.26 -1.67 115.26 108.86 2a71 n ASN 119 Ca -0.01 -1.94 0.11 0.00 -0.53 0.00 0.00 54.58 52.21 2a71 n ASN 119 Cb 0.30 -0.20 0.30 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.26 3.62 -3.24 0.53 5.15 -1.25 -4.45 115.26 115.88 2a71 n ASN 120 Ca 0.01 -1.99 -0.09 0.00 -0.60 0.00 0.00 54.58 51.91 2a71 n ASN 120 Cb 0.92 -0.43 0.03 0.00 -0.53 0.00 0.00 39.78 39.77 2a71 n ASN 120 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2a71 n GLY 121 N 1.58 1.79 0.26 8.20 0.00 -1.26 -5.00 105.19 110.76 2a71 n GLY 121 Ca 0.22 -2.15 0.14 0.00 0.00 0.00 0.00 46.02 44.23 2a71 n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a71 h PRO 122 N 0.00 0.00 -0.10 1.61 0.11 -1.96 -3.17 132.00 128.48 2a71 h PRO 122 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2a71 h PRO 122 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2a71 h PRO 122 CO 0.16 0.12 0.00 1.28 -0.21 0.00 0.00 178.00 179.35 2a71 n LEU 123 N -3.38 2.87 0.00 2.35 4.77 -1.26 -5.10 117.00 117.25 2a71 n LEU 123 Ca -0.01 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 2a71 n LEU 123 Cb 0.31 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2a71 n LEU 123 CO 0.30 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2a71 n GLY 124 N 1.21 -0.26 3.66 -0.72 0.00 -1.20 -4.88 105.19 103.00 2a71 n GLY 124 Ca 0.13 -1.04 -0.51 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 1.76 -4.21 1.61 -0.02 -1.26 -4.54 135.00 128.34 2a71 n PRO 125 Ca 0.00 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 61.98 2a71 n PRO 125 Cb 0.00 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 30.89 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 4.48 0.08 -0.15 3.45 -4.23 -0.67 -1.25 115.64 117.34 2a71 s THR 126 Ca 0.97 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2a71 s THR 126 Cb -0.81 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 70.60 2a71 s THR 126 CO 0.55 -0.06 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.24 2a71 s LEU 127 N -3.16 1.63 0.33 4.79 0.20 -0.82 -3.00 118.68 118.66 2a71 s LEU 127 Ca 0.37 -0.50 0.09 0.00 0.69 0.00 0.00 54.13 54.78 2a71 s LEU 127 Cb 0.07 -1.08 -0.06 0.00 -0.43 0.00 0.00 46.19 44.69 2a71 s LEU 127 CO 0.11 -0.09 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.85 2a71 s ARG 128 N 1.54 1.78 -0.05 1.98 0.52 -0.47 -2.12 118.95 122.14 2a71 s ARG 128 Ca 0.04 -1.92 0.02 0.00 -0.52 0.00 0.00 55.73 53.35 2a71 s ARG 128 Cb -0.13 -1.64 -0.03 0.00 0.52 0.00 0.00 34.95 33.67 2a71 s ARG 128 CO -0.10 0.13 -0.08 0.20 0.02 0.00 0.00 175.30 175.48 2a71 s GLY 129 N -3.59 1.69 -0.08 -3.53 0.00 -0.19 -2.43 107.32 99.20 2a71 s GLY 129 Ca 0.32 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 2a71 s GLY 129 CO 0.16 -0.73 0.18 1.20 0.00 0.00 0.00 173.10 173.91 2a71 s GLN 130 N -0.95 0.13 -0.02 2.90 -1.52 -0.22 -2.72 119.66 117.26 2a71 s GLN 130 Ca 0.13 0.42 0.06 0.00 -1.95 0.00 0.00 55.36 54.03 2a71 s GLN 130 Cb -0.11 -0.16 -0.03 0.00 -0.22 0.00 0.00 33.01 32.49 2a71 s GLN 130 CO 0.03 -0.17 -0.19 -0.51 -0.25 0.00 0.00 175.29 174.20 2a71 s LEU 131 N 1.21 2.48 0.22 2.90 1.43 -1.26 -0.59 118.68 125.07 2a71 s LEU 131 Ca -0.09 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2a71 s LEU 131 Cb -0.11 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2a71 s LEU 131 CO -0.07 0.32 0.19 0.21 0.23 0.00 0.00 176.35 177.23 2a71 s ASN 132 N -0.87 0.35 0.00 2.29 2.47 -1.20 -5.03 114.94 112.95 2a71 s ASN 132 Ca 0.12 -1.40 0.01 0.00 0.42 0.00 0.00 52.86 52.01 2a71 s ASN 132 Cb -0.10 0.43 0.02 0.00 -1.45 0.00 0.00 41.25 40.14 2a71 s ASN 132 CO 0.01 -0.91 0.73 -0.90 -3.72 0.00 0.00 177.10 172.32 2a71 n ASP 133 N -0.48 1.49 0.00 -4.21 5.68 -1.22 -2.46 116.55 115.36 2a71 n ASP 133 Ca 0.02 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 2a71 n ASP 133 Cb 0.65 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 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 -0.13 2.97 0.11 6.12 0.00 -0.65 -4.71 105.19 108.91 2a71 n GLY 134 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2a71 n GLY 134 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2a71 h GLN 135 N 2.51 -0.15 -5.02 1.61 4.20 -1.90 -3.45 115.11 112.92 2a71 h GLN 135 Ca 0.00 0.01 -0.44 0.00 0.06 0.00 0.00 58.65 58.28 2a71 h GLN 135 Cb 0.00 0.03 -0.29 0.00 0.30 0.00 0.00 27.48 27.53 2a71 h GLN 135 CO 0.00 0.29 -0.80 0.15 -0.67 0.00 0.00 178.83 177.80 2a71 s LYS 136 N -4.08 0.94 0.87 1.46 1.02 -1.26 -5.15 119.74 113.54 2a71 s LYS 136 Ca -0.15 -0.42 -0.10 0.00 0.02 0.00 0.00 55.97 55.32 2a71 s LYS 136 Cb 0.01 -0.91 0.12 0.00 -0.52 0.00 0.00 37.83 36.53 2a71 s LYS 136 CO 0.59 0.25 1.13 -1.25 -0.92 0.00 0.00 175.35 175.15 2a71 s PRO 137 N -0.27 1.39 0.38 -1.68 0.04 -1.26 -4.81 135.00 128.79 2a71 s PRO 137 Ca 0.04 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 2a71 s PRO 137 Cb -0.04 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2a71 s PRO 137 CO -0.00 -2.34 0.81 0.14 0.04 0.00 0.00 177.00 175.64 2a71 s VAL 138 N -2.70 4.64 -0.58 -0.36 -7.23 -1.03 -5.00 120.40 108.15 2a71 s VAL 138 Ca 0.65 1.00 -0.28 0.00 -1.81 0.00 0.00 61.98 61.55 2a71 s VAL 138 Cb -0.21 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.11 2a71 s VAL 138 CO 0.57 -0.34 1.15 -0.62 -0.31 0.00 0.00 175.10 175.55 2a71 s ASP 139 N -2.54 6.43 0.35 4.85 -1.08 -1.26 -4.89 116.67 118.53 2a71 s ASP 139 Ca 0.55 0.04 0.06 0.00 -0.52 0.00 0.00 52.55 52.68 2a71 s ASP 139 Cb -0.10 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.48 2a71 s ASP 139 CO 0.21 -1.44 1.89 0.11 0.52 0.00 0.00 175.17 176.46 2a71 h LYS 140 N 9.51 0.45 0.00 4.34 1.57 -1.99 -0.12 116.57 130.33 2a71 h LYS 140 Ca -0.25 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2a71 h LYS 140 Cb 1.06 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2a71 h LYS 140 CO 1.17 0.50 0.00 0.25 -0.57 0.00 0.00 179.45 180.80 2a71 n THR 141 N -4.29 1.54 -0.34 -0.16 -2.24 -1.26 -2.14 114.28 105.39 2a71 n THR 141 Ca 0.01 0.38 0.06 0.00 -2.27 0.00 0.00 64.05 62.23 2a71 n THR 141 Cb 0.24 -1.28 0.16 0.00 -2.10 0.00 0.00 70.33 67.35 2a71 n THR 141 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2a71 n LYS 142 N -1.48 2.86 -0.29 -0.78 5.02 -0.06 -4.78 118.16 118.65 2a71 n LYS 142 Ca 0.02 -2.16 0.06 0.00 -2.02 0.00 0.00 58.31 54.20 2a71 n LYS 142 Cb 0.07 -1.36 0.20 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.71 0.78 0.00 -0.18 6.09 -1.45 -1.85 117.51 122.61 2a71 h ILE 143 Ca 0.00 -0.22 -0.21 0.00 -1.37 0.00 0.00 64.86 63.05 2a71 h ILE 143 Cb 0.85 0.07 -0.03 0.00 0.47 0.00 0.00 36.82 38.18 2a71 h ILE 143 CO 0.04 0.12 -1.02 1.88 -3.07 0.00 0.00 178.15 176.10 2a71 h TYR 144 N 0.65 0.02 0.00 2.19 0.05 -1.86 -2.85 116.97 115.17 2a71 h TYR 144 Ca 0.44 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.18 2a71 h TYR 144 Cb 0.56 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 2a71 h TYR 144 CO -0.09 1.01 -0.12 -0.44 -1.05 0.00 0.00 178.16 177.47 2a71 h ASP 145 N 0.00 0.00 -0.35 3.88 5.19 -1.80 -3.35 116.42 119.98 2a71 h ASP 145 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2a71 h ASP 145 Cb 1.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.29 2a71 h ASP 145 CO 0.13 0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.37 2a71 n GLN 146 N -3.18 2.90 -2.34 3.56 6.02 -0.73 -4.99 117.38 118.63 2a71 n GLN 146 Ca 0.02 -2.22 -0.40 0.00 -0.01 0.00 0.00 57.00 54.38 2a71 n GLN 146 Cb 0.47 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.30 2a71 n GLN 146 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2a71 s SER 147 N -1.15 7.08 0.00 1.08 0.01 -1.16 -4.77 113.70 114.79 2a71 s SER 147 Ca 0.28 2.43 0.29 0.00 1.31 0.00 0.00 55.95 60.26 2a71 s SER 147 Cb 0.17 -2.64 1.34 0.00 0.21 0.00 0.00 66.02 65.10 2a71 s SER 147 CO 0.15 -0.29 1.93 2.22 0.41 0.00 0.00 173.24 177.66 2a71 n PHE 148 N 1.04 0.00 0.00 2.43 1.16 -1.10 -4.91 117.46 116.07 2a71 n PHE 148 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.57 2a71 n PHE 148 Cb 0.44 -0.19 0.00 0.00 -1.61 0.00 0.00 39.48 38.12 2a71 n PHE 148 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a71 n ALA 149 N -1.01 0.00 -3.45 1.98 0.00 -1.26 -5.01 120.51 111.75 2a71 n ALA 149 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 2a71 n ALA 149 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 2a71 n ALA 149 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2a71 s SER 150 N 0.00 0.01 -0.13 0.00 1.04 -1.26 -1.02 113.70 112.34 2a71 s SER 150 Ca 0.00 -0.95 -0.28 0.00 0.48 0.00 0.00 55.95 55.20 2a71 s SER 150 Cb 0.00 0.69 0.07 0.00 0.10 0.00 0.00 66.02 66.87 2a71 s SER 150 CO 0.00 -1.32 0.67 0.00 0.98 0.00 0.00 173.24 173.56 2a71 n LEU 152 N 1.63 4.89 -3.21 0.00 4.77 -1.26 -1.94 117.00 121.88 2a71 n LEU 152 Ca -0.17 1.16 -0.00 0.00 -0.03 0.00 0.00 56.01 56.96 2a71 n LEU 152 Cb 0.56 -1.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.04 2a71 n LEU 152 CO 0.16 -0.10 0.06 -0.32 -1.33 0.00 0.00 177.39 175.85 2a71 s MET 153 N -2.31 0.66 0.11 3.23 1.75 -0.38 -4.79 119.30 117.58 2a71 s MET 153 Ca 0.58 0.04 -0.32 0.00 -1.25 0.00 0.00 55.69 54.74 2a71 s MET 153 Cb -0.47 0.04 -0.12 0.00 2.84 0.00 0.00 34.83 37.13 2a71 s MET 153 CO 0.60 -1.12 1.76 0.41 -0.65 0.00 0.00 175.02 176.02 2a71 n GLY 154 N 4.89 1.48 0.00 2.11 0.00 -1.26 -3.98 105.19 108.43 2a71 n GLY 154 Ca 0.08 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2a71 n GLY 154 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2a71 n TYR 155 N 5.00 0.00 -2.99 1.61 0.18 -1.26 -5.02 117.16 114.69 2a71 n TYR 155 Ca 0.18 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.56 2a71 n TYR 155 Cb 0.33 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.25 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 -0.25 4.30 0.00 -3.48 -0.21 -1.26 -3.91 119.66 114.85 2a71 s GLN 156 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 55.36 56.25 2a71 s GLN 156 Cb 0.00 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.46 2a71 s GLN 156 CO 0.00 -0.23 0.00 -0.25 -2.12 0.00 0.00 175.29 172.69 2a71 n ASP 157 N 4.89 0.00 -3.56 5.90 9.92 -0.97 -4.91 116.55 127.83 2a71 n ASP 157 Ca 0.02 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.91 2a71 n ASP 157 Cb 0.50 -0.03 -0.11 0.00 -0.64 0.00 0.00 41.12 40.83 2a71 n ASP 157 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2a71 n SER 158 N 0.53 0.33 -0.03 -2.24 2.88 -1.25 -4.70 113.62 109.13 2a71 n SER 158 Ca 0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2a71 n SER 158 Cb 0.00 -0.73 0.01 0.00 -0.75 0.00 0.00 64.21 62.74 2a71 n SER 158 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2a71 n SER 159 N 7.81 -0.04 -4.86 -3.46 7.64 -1.26 -4.18 113.62 115.27 2a71 n SER 159 Ca 0.51 0.16 -0.33 0.00 1.01 0.00 0.00 58.87 60.22 2a71 n SER 159 Cb 0.01 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 2a71 n SER 159 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2a71 s VAL 160 N -5.11 4.90 0.60 0.44 -7.23 -1.26 -5.09 120.40 107.64 2a71 s VAL 160 Ca -0.01 0.62 -0.17 0.00 -1.81 0.00 0.00 61.98 60.60 2a71 s VAL 160 Cb 0.02 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 2a71 s VAL 160 CO 0.07 0.04 1.11 -2.84 -0.31 0.00 0.00 175.10 173.17 2a71 s PRO 161 N -2.51 3.12 0.10 4.82 0.02 -1.26 -4.95 135.00 134.35 2a71 s PRO 161 Ca 0.44 1.44 0.02 0.00 0.02 0.00 0.00 61.00 62.92 2a71 s PRO 161 Cb -0.12 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 2a71 s PRO 161 CO 0.20 -1.00 0.22 -1.12 -0.33 0.00 0.00 177.00 174.97 2a71 s SER 162 N -2.29 6.21 -0.22 2.53 0.01 0.01 -4.91 113.70 115.03 2a71 s SER 162 Ca 0.69 0.18 0.01 0.00 1.31 0.00 0.00 55.95 58.13 2a71 s SER 162 Cb -0.21 -1.86 0.03 0.00 0.21 0.00 0.00 66.02 64.20 2a71 s SER 162 CO 0.34 0.12 -0.14 -0.89 0.41 0.00 0.00 173.24 173.09 2a71 s THR 163 N -1.60 2.29 -0.13 1.44 2.01 -1.26 -1.63 115.64 116.77 2a71 s THR 163 Ca 0.34 -1.17 -0.21 0.00 0.31 0.00 0.00 61.69 60.96 2a71 s THR 163 Cb -0.12 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 2a71 s THR 163 CO 0.27 0.29 0.60 -0.63 -0.69 0.00 0.00 174.62 174.46 2a71 s ILE 164 N 1.24 5.08 -0.25 1.82 1.01 -0.09 -1.40 121.20 128.62 2a71 s ILE 164 Ca -0.00 1.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.83 2a71 s ILE 164 Cb -0.16 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.41 2a71 s ILE 164 CO -0.09 0.23 -0.07 -0.60 0.00 0.00 0.00 174.94 174.41 2a71 s ARG 165 N 1.13 2.78 -0.26 2.79 3.52 0.09 -0.36 118.95 128.64 2a71 s ARG 165 Ca 0.31 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.85 2a71 s ARG 165 Cb -0.16 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 2a71 s ARG 165 CO 0.13 -0.41 0.01 0.08 -0.81 0.00 0.00 175.30 174.30 2a71 s VAL 166 N 1.30 3.58 -0.04 7.11 1.01 0.37 -0.58 120.40 133.14 2a71 s VAL 166 Ca -0.00 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2a71 s VAL 166 Cb -0.17 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2a71 s VAL 166 CO -0.05 0.22 -0.23 0.42 0.00 0.00 0.00 175.10 175.46 2a71 s THR 167 N 1.46 2.29 -0.17 3.92 -4.23 -0.39 -0.51 115.64 118.02 2a71 s THR 167 Ca 0.03 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 2a71 s THR 167 Cb -0.16 -1.83 0.04 0.00 1.34 0.00 0.00 72.50 71.89 2a71 s THR 167 CO -0.01 0.58 -0.03 -0.47 -0.54 0.00 0.00 174.62 174.15 2a71 s TYR 168 N -0.46 1.55 -0.73 3.99 5.04 -0.10 -2.17 117.35 124.46 2a71 s TYR 168 Ca 0.05 -1.00 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 2a71 s TYR 168 Cb -0.11 -1.24 0.18 0.00 0.35 0.00 0.00 41.96 41.14 2a71 s TYR 168 CO 0.01 -0.60 0.56 0.34 -1.34 0.00 0.00 175.55 174.52 2a71 s ASP 169 N 1.68 5.31 0.29 4.32 -1.08 -0.16 -1.95 116.67 125.07 2a71 s ASP 169 Ca 0.00 -3.44 0.03 0.00 -0.52 0.00 0.00 52.55 48.63 2a71 s ASP 169 Cb -0.15 -1.80 0.66 0.00 -1.46 0.00 0.00 42.92 40.17 2a71 s ASP 169 CO -0.07 -0.21 1.78 0.25 0.52 0.00 0.00 175.17 177.43 2a71 h LEU 170 N 6.19 0.74 -1.94 -1.34 7.12 -1.91 -2.11 115.31 122.07 2a71 h LEU 170 Ca 0.08 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.14 2a71 h LEU 170 Cb 0.85 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.91 2a71 h LEU 170 CO 0.76 0.30 0.05 -0.62 -0.13 0.00 0.00 178.44 178.80 2a71 n GLU 171 N -4.77 1.84 -2.80 1.25 4.71 -1.26 -3.14 120.64 116.47 2a71 n GLU 171 Ca 0.21 -0.83 -0.01 0.00 -0.01 0.00 0.00 57.16 56.52 2a71 n GLU 171 Cb 0.50 -1.59 0.06 0.00 -1.01 0.00 0.00 31.44 29.40 2a71 n GLU 171 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2a71 n ASP 172 N 0.14 1.07 -3.53 1.62 -0.08 -1.11 -4.95 116.55 109.71 2a71 n ASP 172 Ca 0.10 -2.11 -0.21 0.00 -1.51 0.00 0.00 54.79 51.06 2a71 n ASP 172 Cb 0.60 -0.29 0.08 0.00 2.34 0.00 0.00 41.12 43.85 2a71 n ASP 172 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2a71 n ASP 173 N -0.70 -4.84 -3.52 1.67 10.43 -1.25 -4.09 116.55 114.26 2a71 n ASP 173 Ca 0.03 -0.57 -0.34 0.00 2.57 0.00 0.00 54.79 56.48 2a71 n ASP 173 Cb 0.81 -5.06 0.03 0.00 1.84 0.00 0.00 41.12 38.74 2a71 n ASP 173 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 2a71 n ASN 174 N -3.05 -5.06 -4.64 -2.24 6.94 -1.08 -4.82 115.26 101.31 2a71 n ASN 174 Ca -0.10 -0.39 -0.42 0.00 -0.02 0.00 0.00 54.58 53.66 2a71 n ASN 174 Cb 0.60 -1.53 -0.04 0.00 -2.36 0.00 0.00 39.78 36.45 2a71 n ASN 174 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2a71 s LEU 175 N -3.08 4.08 -0.51 -4.53 2.96 -0.82 -4.44 118.68 112.34 2a71 s LEU 175 Ca 0.27 1.00 -0.17 0.00 -0.22 0.00 0.00 54.13 55.01 2a71 s LEU 175 Cb -0.03 -3.15 0.09 0.00 0.50 0.00 0.00 46.19 43.60 2a71 s LEU 175 CO 0.85 -0.50 0.52 -0.22 -1.32 0.00 0.00 176.35 175.68 2a71 s LEU 176 N 2.80 5.54 -0.15 -0.68 2.96 -0.39 -0.99 118.68 127.76 2a71 s LEU 176 Ca 0.34 -1.34 0.01 0.00 -0.22 0.00 0.00 54.13 52.93 2a71 s LEU 176 Cb -0.15 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.27 2a71 s LEU 176 CO 0.07 -0.82 -0.19 -0.75 -1.32 0.00 0.00 176.35 173.34 2a71 s LYS 177 N 2.04 3.09 -0.11 1.98 2.20 -0.92 -0.28 119.74 127.75 2a71 s LYS 177 Ca 0.08 -0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 54.83 2a71 s LYS 177 Cb -0.24 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 2a71 s LYS 177 CO 0.07 -0.04 0.07 0.08 -0.36 0.00 0.00 175.35 175.17 2a71 s VAL 178 N 0.90 4.87 -0.00 4.02 1.01 -0.21 -1.26 120.40 129.73 2a71 s VAL 178 Ca -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2a71 s VAL 178 Cb -0.15 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2a71 s VAL 178 CO -0.03 0.61 -0.08 -1.10 0.00 0.00 0.00 175.10 174.49 2a71 s GLN 179 N -0.89 0.67 -0.32 2.72 -0.21 0.25 -2.46 119.66 119.42 2a71 s GLN 179 Ca 0.14 -0.35 -0.07 0.00 0.02 0.00 0.00 55.36 55.10 2a71 s GLN 179 Cb -0.12 -0.63 0.03 0.00 1.00 0.00 0.00 33.01 33.29 2a71 s GLN 179 CO 0.03 0.17 0.10 0.08 -2.12 0.00 0.00 175.29 173.55 2a71 s VAL 180 N -0.31 3.86 -1.23 1.09 1.01 -0.35 -0.73 120.40 123.74 2a71 s VAL 180 Ca 0.02 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 2a71 s VAL 180 Cb -0.04 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2a71 s VAL 180 CO -0.00 -0.08 0.92 0.47 0.00 0.00 0.00 175.10 176.40 2a71 n ASP 181 N 4.84 -1.83 -0.90 3.32 8.00 -0.49 -1.52 116.55 127.97 2a71 n ASP 181 Ca -0.13 -0.67 -0.09 0.00 0.71 0.00 0.00 54.79 54.61 2a71 n ASP 181 Cb 0.46 -4.84 -0.04 0.00 -0.02 0.00 0.00 41.12 36.68 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 -3.11 -3.63 -4.47 -2.24 3.02 -1.26 -4.95 115.26 98.62 2a71 n ASN 182 Ca -0.29 0.21 -0.35 0.00 -0.03 0.00 0.00 54.58 54.12 2a71 n ASN 182 Cb 0.67 -2.98 -0.12 0.00 -0.61 0.00 0.00 39.78 36.74 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 -2.48 3.66 -0.01 3.52 1.02 -0.58 -5.05 119.74 119.83 2a71 s LYS 183 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 2a71 s LYS 183 Cb 0.00 -3.13 -0.08 0.00 -0.52 0.00 0.00 37.83 34.10 2a71 s LYS 183 CO 0.00 0.01 2.01 0.08 -0.92 0.00 0.00 175.35 176.54 2a71 s VAL 184 N 1.02 3.02 -0.16 3.17 1.01 -1.26 -1.21 120.40 125.99 2a71 s VAL 184 Ca 0.02 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 2a71 s VAL 184 Cb -0.14 -3.02 -0.16 0.00 0.00 0.00 0.00 36.38 33.06 2a71 s VAL 184 CO 0.02 -0.00 0.31 0.00 0.00 0.00 0.00 175.10 175.43 2a71 s PHE 186 N -2.17 -0.11 0.09 0.00 -0.12 -1.16 -4.48 117.98 110.03 2a71 s PHE 186 Ca -0.19 -0.20 -0.15 0.00 -0.05 0.00 0.00 56.93 56.34 2a71 s PHE 186 Cb 0.01 0.64 0.03 0.00 -0.63 0.00 0.00 43.02 43.07 2a71 s PHE 186 CO 0.48 -0.81 0.36 1.14 -0.05 0.00 0.00 175.22 176.33 2a71 s GLN 187 N -3.16 0.96 0.25 1.99 -2.07 -1.26 -1.04 119.66 115.34 2a71 s GLN 187 Ca 0.13 -0.64 -0.19 0.00 -1.82 0.00 0.00 55.36 52.84 2a71 s GLN 187 Cb -0.01 0.42 0.02 0.00 -1.09 0.00 0.00 33.01 32.35 2a71 s GLN 187 CO 0.02 -0.35 0.64 -0.08 -1.32 0.00 0.00 175.29 174.21 2a71 s THR 188 N -3.32 0.00 -0.03 3.63 -1.32 0.62 -4.98 115.64 110.24 2a71 s THR 188 Ca 0.00 -0.95 0.04 0.00 -1.21 0.00 0.00 61.69 59.58 2a71 s THR 188 Cb 0.01 -1.89 0.07 0.00 -1.51 0.00 0.00 72.50 69.19 2a71 s THR 188 CO -0.08 -0.02 0.95 0.54 -2.21 0.00 0.00 174.62 173.80 2a71 n ARG 189 N -0.42 1.89 -0.21 7.08 1.74 -1.26 -1.27 116.66 124.20 2a71 n ARG 189 Ca -0.06 -1.55 0.04 0.00 -0.77 0.00 0.00 57.85 55.52 2a71 n ARG 189 Cb 0.60 -1.00 0.14 0.00 -1.02 0.00 0.00 32.46 31.19 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 -0.60 1.94 -3.77 5.56 5.02 -1.26 -4.74 118.16 120.31 2a71 n LYS 190 Ca 0.04 -1.12 -0.25 0.00 -2.02 0.00 0.00 58.31 54.96 2a71 n LYS 190 Cb 0.41 -1.39 -0.17 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.63 0.48 -0.31 -0.18 1.01 -1.26 -5.08 120.40 113.43 2a71 s VAL 191 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 2a71 s VAL 191 Cb 0.12 -0.72 0.10 0.00 0.00 0.00 0.00 36.38 35.88 2a71 s VAL 191 CO 0.11 0.14 0.09 -0.60 0.00 0.00 0.00 175.10 174.85 2a71 s ARG 192 N 1.92 0.76 -0.02 2.72 6.06 -1.26 -4.78 118.95 124.35 2a71 s ARG 192 Ca 0.03 -1.10 -0.30 0.00 -2.50 0.00 0.00 55.73 51.87 2a71 s ARG 192 Cb -0.14 -2.06 -0.08 0.00 0.06 0.00 0.00 34.95 32.73 2a71 s ARG 192 CO -0.06 -0.97 1.92 -0.06 -2.50 0.00 0.00 175.30 173.63 2a71 s PHE 193 N 1.58 1.43 0.19 5.12 0.08 -1.26 -4.99 117.98 120.13 2a71 s PHE 193 Ca 0.09 -0.19 -0.30 0.00 0.12 0.00 0.00 56.93 56.65 2a71 s PHE 193 Cb -0.17 -4.14 -0.08 0.00 -0.57 0.00 0.00 43.02 38.05 2a71 s PHE 193 CO -0.24 -4.99 1.22 -1.25 -0.10 0.00 0.00 175.22 169.86 2a71 s PRO 194 N 4.61 4.47 0.02 0.24 0.04 -1.26 -4.92 135.00 138.19 2a71 s PRO 194 Ca 0.86 1.92 -0.36 0.00 0.04 0.00 0.00 61.00 63.46 2a71 s PRO 194 Cb -0.39 -3.23 -0.15 0.00 0.04 0.00 0.00 34.50 30.77 2a71 s PRO 194 CO 0.38 -0.12 1.55 0.43 0.04 0.00 0.00 177.00 179.29 2a71 n SER 195 N 2.46 2.44 -1.54 6.66 7.64 -1.26 -4.91 113.62 125.10 2a71 n SER 195 Ca 0.04 1.08 -0.00 0.00 1.01 0.00 0.00 58.87 61.00 2a71 n SER 195 Cb 0.44 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 3.33 1.04 3.57 0.23 0.00 -1.18 -5.03 105.19 107.14 2a71 n GLY 196 Ca 0.20 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2a71 n GLY 196 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a71 s SER 197 N -1.56 6.42 0.15 1.61 0.15 -1.26 -1.61 113.70 117.59 2a71 s SER 197 Ca 0.05 0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.88 2a71 s SER 197 Cb -0.01 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2a71 s SER 197 CO 0.01 -0.59 0.08 -0.31 1.20 0.00 0.00 173.24 173.63 2a71 s TYR 198 N 2.69 3.06 -0.11 3.44 1.51 0.88 -2.78 117.35 126.03 2a71 s TYR 198 Ca 0.24 -0.04 -0.02 0.00 -1.01 0.00 0.00 57.07 56.25 2a71 s TYR 198 Cb -0.15 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 2a71 s TYR 198 CO 0.15 0.51 -0.04 1.03 -1.11 0.00 0.00 175.55 176.09 2a71 s ARG 199 N -2.88 3.20 -0.16 -0.62 1.81 0.90 -1.04 118.95 120.16 2a71 s ARG 199 Ca 0.29 -0.50 0.01 0.00 -1.72 0.00 0.00 55.73 53.82 2a71 s ARG 199 Cb -0.10 -2.78 0.01 0.00 -0.45 0.00 0.00 34.95 31.63 2a71 s ARG 199 CO 0.21 0.50 -0.19 0.42 -0.68 0.00 0.00 175.30 175.55 2a71 s ILE 200 N -0.33 2.23 0.18 1.52 1.01 -1.26 -2.44 121.20 122.12 2a71 s ILE 200 Ca 0.06 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 2a71 s ILE 200 Cb -0.12 -1.92 0.08 0.00 0.01 0.00 0.00 42.46 40.50 2a71 s ILE 200 CO 0.02 0.54 1.05 -0.83 0.00 0.00 0.00 174.94 175.71 2a71 s GLY 201 N 0.96 0.13 0.03 6.18 0.00 -1.18 -1.62 107.32 111.82 2a71 s GLY 201 Ca -0.03 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 44.35 2a71 s GLY 201 CO -0.04 2.69 -0.09 0.54 0.00 0.00 0.00 173.10 176.20 2a71 s VAL 202 N -2.11 0.68 0.10 1.40 0.11 -0.55 -1.72 120.40 118.32 2a71 s VAL 202 Ca 0.23 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.50 2a71 s VAL 202 Cb -0.03 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2a71 s VAL 202 CO 0.05 -0.11 -0.08 0.42 -3.33 0.00 0.00 175.10 172.05 2a71 s THR 203 N -0.85 0.84 0.22 5.04 -4.23 -0.72 -1.80 115.64 114.15 2a71 s THR 203 Ca -0.03 -1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 58.57 2a71 s THR 203 Cb -0.07 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.27 2a71 s THR 203 CO 0.00 -0.70 0.46 0.00 -0.54 0.00 0.00 174.62 173.84 2a71 s ALA 204 N -2.98 -0.37 -0.08 3.99 0.00 -0.56 -0.99 121.76 120.78 2a71 s ALA 204 Ca 0.09 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 51.09 2a71 s ALA 204 Cb 0.01 0.99 0.05 0.00 0.00 0.00 0.00 23.12 24.16 2a71 s ALA 204 CO -0.02 -0.82 0.51 1.14 0.00 0.00 0.00 175.76 176.57 2a71 s GLN 205 N -3.98 0.80 0.00 0.00 -2.07 -1.11 -1.47 119.66 111.84 2a71 s GLN 205 Ca 0.19 0.23 0.22 0.00 -1.82 0.00 0.00 55.36 54.18 2a71 s GLN 205 Cb -0.00 0.37 0.11 0.00 -1.09 0.00 0.00 33.01 32.40 2a71 s GLN 205 CO 0.05 -0.21 1.15 0.27 -1.32 0.00 0.00 175.29 175.23 2a71 n ASN 206 N 1.55 2.55 0.00 12.60 0.23 -1.02 -1.11 115.26 130.05 2a71 n ASN 206 Ca -0.18 -1.77 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 2a71 n ASN 206 Cb 0.56 0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.44 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 1.31 1.15 0.00 4.83 0.00 -1.26 -4.15 105.19 107.07 2a71 n GLY 207 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 5.91 1.09 -1.79 4.61 0.00 -1.26 -2.60 120.51 126.47 2a71 n ALA 208 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2a71 n ALA 208 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.41 2.21 -1.35 0.00 1.01 -1.26 -2.13 120.40 118.47 2a71 s VAL 209 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2a71 s VAL 209 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2a71 s VAL 209 CO 0.00 0.01 0.00 -3.20 0.00 0.00 0.00 175.10 171.91 2a71 n ASN 210 N 3.68 -4.11 -3.78 3.32 4.05 -1.26 -1.97 115.26 115.18 2a71 n ASN 210 Ca 0.14 0.23 -0.24 0.00 0.45 0.00 0.00 54.58 55.16 2a71 n ASN 210 Cb 0.36 -3.60 0.03 0.00 1.23 0.00 0.00 39.78 37.80 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 -1.34 -2.06 -4.84 1.20 3.02 -0.91 -4.95 115.26 105.39 2a71 n ASN 211 Ca -0.16 -0.82 -0.33 0.00 -0.03 0.00 0.00 54.58 53.24 2a71 n ASN 211 Cb 0.56 -3.93 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 2a71 n ASN 211 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2a71 s ASN 212 N -4.08 6.84 -0.37 6.41 2.20 -0.83 -4.98 114.94 120.12 2a71 s ASN 212 Ca 0.18 1.39 0.06 0.00 -0.94 0.00 0.00 52.86 53.55 2a71 s ASN 212 Cb -0.09 -2.42 0.44 0.00 -2.00 0.00 0.00 41.25 37.19 2a71 s ASN 212 CO 0.82 -0.22 1.19 0.00 -2.94 0.00 0.00 177.10 175.95 2a71 n ALA 213 N -0.34 5.09 -1.68 3.54 0.00 -1.26 -4.10 120.51 121.76 2a71 n ALA 213 Ca 0.04 -4.01 -0.48 0.00 0.00 0.00 0.00 53.44 49.00 2a71 n ALA 213 Cb 0.53 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 2a71 n ALA 213 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2a71 n GLU 214 N -0.62 2.14 -3.93 0.00 2.13 -1.26 -4.72 120.64 114.38 2a71 n GLU 214 Ca 0.43 0.78 -0.35 0.00 0.66 0.00 0.00 57.16 58.68 2a71 n GLU 214 Cb 0.83 -2.59 -0.14 0.00 0.27 0.00 0.00 31.44 29.81 2a71 n GLU 214 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2a71 s SER 215 N 2.78 4.31 -0.22 4.31 0.15 -0.23 -4.32 113.70 120.49 2a71 s SER 215 Ca 0.87 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 57.03 2a71 s SER 215 Cb -0.70 -1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 2a71 s SER 215 CO 0.46 -0.01 0.17 -0.36 1.20 0.00 0.00 173.24 174.70 2a71 s PHE 216 N 1.44 3.35 -0.01 3.44 0.08 -1.19 -1.58 117.98 123.51 2a71 s PHE 216 Ca 0.05 0.29 0.07 0.00 0.12 0.00 0.00 56.93 57.47 2a71 s PHE 216 Cb -0.14 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 2a71 s PHE 216 CO -0.03 0.14 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.79 2a71 s GLU 217 N 0.83 2.12 -0.27 0.44 2.02 -0.72 -0.32 118.70 122.80 2a71 s GLU 217 Ca 0.09 -0.93 -0.00 0.00 0.02 0.00 0.00 54.97 54.15 2a71 s GLU 217 Cb -0.13 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 32.04 2a71 s GLU 217 CO 0.03 0.56 -0.06 0.42 0.02 0.00 0.00 175.26 176.23 2a71 s ILE 218 N -0.71 2.67 -0.11 -1.63 -1.09 -0.10 -2.12 121.20 118.11 2a71 s ILE 218 Ca 0.11 -1.34 -0.03 0.00 -2.23 0.00 0.00 60.65 57.16 2a71 s ILE 218 Cb -0.10 -2.48 -0.25 0.00 -1.58 0.00 0.00 42.46 38.05 2a71 s ILE 218 CO 0.01 0.03 0.41 0.49 -1.23 0.00 0.00 174.94 174.65 2a71 n PHE 219 N 4.58 1.18 -3.76 3.97 3.01 -0.18 -1.63 117.46 124.64 2a71 n PHE 219 Ca -0.15 0.28 -0.06 0.00 1.01 0.00 0.00 57.45 58.53 2a71 n PHE 219 Cb 0.44 -1.16 -0.02 0.00 -0.01 0.00 0.00 39.48 38.73 2a71 n PHE 219 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2a71 s LYS 220 N -2.57 1.45 -0.18 -1.08 -2.85 -1.21 -4.30 119.74 109.00 2a71 s LYS 220 Ca -0.19 -0.77 -0.08 0.00 -1.00 0.00 0.00 55.97 53.92 2a71 s LYS 220 Cb 0.07 0.51 0.07 0.00 -2.06 0.00 0.00 37.83 36.42 2a71 s LYS 220 CO 0.78 -0.66 0.41 1.41 0.10 0.00 0.00 175.35 177.39 2a71 s MET 221 N -3.60 0.36 -0.08 1.78 1.75 -1.24 -0.66 119.30 117.62 2a71 s MET 221 Ca 0.10 0.86 0.04 0.00 -1.25 0.00 0.00 55.69 55.45 2a71 s MET 221 Cb -0.03 0.08 -0.00 0.00 2.84 0.00 0.00 34.83 37.72 2a71 s MET 221 CO 0.02 -0.19 -0.22 -0.65 -0.65 0.00 0.00 175.02 173.33 2a71 s GLN 222 N 1.80 2.61 -0.22 4.11 -1.52 0.81 -0.38 119.66 126.88 2a71 s GLN 222 Ca -0.07 -0.80 0.02 0.00 -1.95 0.00 0.00 55.36 52.56 2a71 s GLN 222 Cb -0.10 -2.07 0.05 0.00 -0.22 0.00 0.00 33.01 30.67 2a71 s GLN 222 CO -0.13 0.22 -0.12 0.12 -0.25 0.00 0.00 175.29 175.14 2a71 s PHE 223 N 0.21 2.77 -0.07 0.91 5.36 -1.26 -0.25 117.98 125.63 2a71 s PHE 223 Ca -0.13 -1.86 -0.02 0.00 -0.96 0.00 0.00 56.93 53.96 2a71 s PHE 223 Cb -0.16 -1.78 -0.03 0.00 -0.34 0.00 0.00 43.02 40.70 2a71 s PHE 223 CO 0.06 -0.80 0.03 -0.06 -1.46 0.00 0.00 175.22 172.99 2a71 s PHE 224 N 1.28 3.23 -0.22 10.12 0.08 0.34 -0.41 117.98 132.40 2a71 s PHE 224 Ca -0.03 0.24 -0.28 0.00 0.12 0.00 0.00 56.93 56.97 2a71 s PHE 224 Cb -0.17 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 2a71 s PHE 224 CO -0.08 0.52 1.00 -0.80 -0.10 0.00 0.00 175.22 175.76 2a71 s ASN 225 N -1.07 7.06 0.00 1.36 -0.87 -0.98 -1.66 114.94 118.79 2a71 s ASN 225 Ca 0.15 1.33 0.00 0.00 -1.57 0.00 0.00 52.86 52.77 2a71 s ASN 225 Cb -0.12 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 2a71 s ASN 225 CO 0.05 -0.62 0.00 0.61 -2.57 0.00 0.00 177.10 174.56 2a71 n GLY 226 N 3.38 0.18 0.00 0.66 0.00 -0.92 -4.89 105.19 103.60 2a71 n GLY 226 Ca 0.11 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2a71 n GLY 226 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65