#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3giv s SER 2 N 0.00 5.32 0.06 1.61 0.01 -1.26 -3.90 113.70 115.53 3giv s SER 2 Ca 0.00 1.66 -0.04 0.00 1.31 0.00 0.00 55.95 58.88 3giv s SER 2 Cb 0.00 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 3giv s SER 2 CO 0.00 -1.49 0.05 -1.00 0.41 0.00 0.00 173.24 171.22 3giv s HIS 3 N -2.97 0.36 0.02 2.43 4.02 -0.70 -4.96 115.29 113.50 3giv s HIS 3 Ca 0.59 -0.84 -0.02 0.00 1.02 0.00 0.00 55.06 55.81 3giv s HIS 3 Cb -0.15 -0.26 -0.02 0.00 -1.02 0.00 0.00 32.58 31.14 3giv s HIS 3 CO 0.53 -0.42 0.01 -1.54 1.02 0.00 0.00 174.74 174.33 3giv s SER 4 N -2.78 0.20 -0.08 1.40 1.04 -1.26 -0.36 113.70 111.86 3giv s SER 4 Ca 0.04 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.06 3giv s SER 4 Cb 0.06 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3giv s SER 4 CO -0.09 -0.33 -0.21 -0.32 0.98 0.00 0.00 173.24 173.27 3giv s MET 5 N -1.54 2.80 -0.06 4.02 0.00 -0.55 -0.93 119.30 123.04 3giv s MET 5 Ca -0.15 -0.82 -0.04 0.00 0.00 0.00 0.00 55.69 54.68 3giv s MET 5 Cb -0.09 -2.31 0.02 0.00 0.00 0.00 0.00 34.83 32.45 3giv s MET 5 CO -0.01 0.35 0.14 1.03 0.00 0.00 0.00 175.02 176.54 3giv s ARG 6 N -0.06 0.14 -0.05 4.11 1.81 -0.51 -1.58 118.95 122.81 3giv s ARG 6 Ca -0.05 0.27 0.01 0.00 -1.72 0.00 0.00 55.73 54.24 3giv s ARG 6 Cb -0.14 -0.03 -0.03 0.00 -0.45 0.00 0.00 34.95 34.30 3giv s ARG 6 CO 0.04 -0.08 -0.06 0.71 -0.68 0.00 0.00 175.30 175.24 3giv s TYR 7 N 0.53 2.96 -0.09 -0.53 2.02 -0.46 -0.29 117.35 121.49 3giv s TYR 7 Ca -0.04 0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 3giv s TYR 7 Cb -0.05 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.82 3giv s TYR 7 CO -0.02 0.37 -0.17 -0.06 -1.57 0.00 0.00 175.55 174.09 3giv s PHE 8 N -0.88 1.99 -0.08 2.71 0.08 -0.30 -1.99 117.98 119.51 3giv s PHE 8 Ca 0.14 -0.81 0.02 0.00 0.12 0.00 0.00 56.93 56.40 3giv s PHE 8 Cb -0.11 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 40.97 3giv s PHE 8 CO 0.03 -0.37 -0.13 -0.06 -0.10 0.00 0.00 175.22 174.59 3giv s PHE 9 N 0.59 1.66 -0.08 0.36 0.08 -0.43 -1.19 117.98 118.97 3giv s PHE 9 Ca -0.15 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.23 3giv s PHE 9 Cb -0.17 -1.22 0.01 0.00 -0.57 0.00 0.00 43.02 41.08 3giv s PHE 9 CO 0.05 -0.36 -0.14 0.99 -0.10 0.00 0.00 175.22 175.65 3giv s THR 10 N 0.84 1.36 -0.06 0.64 2.01 0.08 -1.64 115.64 118.86 3giv s THR 10 Ca -0.11 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.35 3giv s THR 10 Cb -0.15 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.12 3giv s THR 10 CO 0.01 0.41 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.62 3giv s SER 11 N 0.77 2.39 -0.14 3.53 0.15 -0.32 -1.00 113.70 119.08 3giv s SER 11 Ca -0.12 -0.40 -0.00 0.00 0.70 0.00 0.00 55.95 56.12 3giv s SER 11 Cb -0.16 -0.84 0.03 0.00 -1.71 0.00 0.00 66.02 63.35 3giv s SER 11 CO 0.02 0.14 -0.07 -0.69 1.20 0.00 0.00 173.24 173.85 3giv s VAL 12 N 0.20 1.08 0.44 4.45 1.01 -0.22 -1.12 120.40 126.23 3giv s VAL 12 Ca -0.09 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 3giv s VAL 12 Cb -0.14 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 34.98 3giv s VAL 12 CO 0.04 0.25 1.26 -0.94 0.00 0.00 0.00 175.10 175.70 3giv s SER 13 N 1.66 6.14 -0.52 3.32 1.04 -0.68 -0.58 113.70 124.09 3giv s SER 13 Ca 0.03 2.54 0.06 0.00 0.48 0.00 0.00 55.95 59.06 3giv s SER 13 Cb -0.14 -2.63 0.22 0.00 0.10 0.00 0.00 66.02 63.57 3giv s SER 13 CO -0.08 -0.96 0.53 0.54 0.98 0.00 0.00 173.24 174.26 3giv n ARG 14 N -0.21 1.27 -1.56 4.02 1.74 -1.26 -4.18 116.66 116.47 3giv n ARG 14 Ca 0.06 -3.82 -0.53 0.00 -0.77 0.00 0.00 57.85 52.79 3giv n ARG 14 Cb 0.45 -1.79 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 3giv n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3giv n PRO 15 N 1.70 0.84 -0.75 5.56 -0.02 -1.26 -0.62 135.00 140.46 3giv n PRO 15 Ca 0.25 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3giv n PRO 15 Cb 0.45 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3giv n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3giv n GLY 16 N 2.15 0.40 0.22 -1.23 0.00 -1.26 -4.80 105.19 100.67 3giv n GLY 16 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3giv n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3giv n ARG 17 N -1.84 1.58 0.00 1.61 1.74 0.21 -5.10 116.66 114.87 3giv n ARG 17 Ca 0.00 -2.62 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 3giv n ARG 17 Cb 0.04 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 3giv n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3giv n GLY 18 N -1.27 0.77 3.84 -0.13 0.00 -1.23 -4.95 105.19 102.22 3giv n GLY 18 Ca 0.17 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 3giv n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3giv s GLU 19 N 0.00 4.06 0.58 1.61 0.41 -1.26 -4.70 118.70 119.39 3giv s GLU 19 Ca 0.00 0.81 -0.20 0.00 -0.41 0.00 0.00 54.97 55.17 3giv s GLU 19 Cb 0.00 -2.34 -0.04 0.00 -1.78 0.00 0.00 34.13 29.97 3giv s GLU 19 CO 0.00 0.08 1.24 -1.25 -0.49 0.00 0.00 175.26 174.83 3giv s PRO 20 N -3.11 3.04 0.24 0.39 0.04 -1.26 -4.67 135.00 129.67 3giv s PRO 20 Ca 0.57 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 63.22 3giv s PRO 20 Cb -0.10 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3giv s PRO 20 CO 0.17 -1.17 1.21 0.50 0.04 0.00 0.00 177.00 177.75 3giv s ARG 21 N -3.20 4.49 -0.07 4.56 6.06 0.25 -4.83 118.95 126.21 3giv s ARG 21 Ca 0.76 1.95 -0.00 0.00 -2.50 0.00 0.00 55.73 55.93 3giv s ARG 21 Cb -0.32 -3.19 0.02 0.00 0.06 0.00 0.00 34.95 31.52 3giv s ARG 21 CO 0.36 -0.05 -0.03 0.12 -2.50 0.00 0.00 175.30 173.20 3giv s PHE 22 N -0.53 0.91 -0.10 5.12 5.36 -1.26 -1.06 117.98 126.43 3giv s PHE 22 Ca 0.50 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.16 3giv s PHE 22 Cb -0.34 -0.88 0.02 0.00 -0.34 0.00 0.00 43.02 41.48 3giv s PHE 22 CO 0.41 -0.33 -0.12 0.42 -1.46 0.00 0.00 175.22 174.13 3giv s ILE 23 N 1.58 1.29 -0.03 3.12 1.01 -0.17 -0.47 121.20 127.53 3giv s ILE 23 Ca -0.00 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.20 3giv s ILE 23 Cb -0.13 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 3giv s ILE 23 CO -0.04 0.40 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 3giv s ALA 24 N 1.14 2.38 0.01 9.38 0.00 -0.26 -0.74 121.76 133.67 3giv s ALA 24 Ca -0.05 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.86 3giv s ALA 24 Cb -0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 3giv s ALA 24 CO -0.03 0.54 -0.03 0.14 0.00 0.00 0.00 175.76 176.39 3giv s VAL 25 N -0.67 0.18 -0.04 0.00 -7.23 -0.34 -1.23 120.40 111.07 3giv s VAL 25 Ca 0.11 -0.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.98 3giv s VAL 25 Cb -0.10 -0.21 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 3giv s VAL 25 CO -0.00 -0.11 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.62 3giv s GLY 26 N -0.50 1.36 0.02 2.32 0.00 -0.83 -1.14 107.32 108.55 3giv s GLY 26 Ca -0.04 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 43.68 3giv s GLY 26 CO -0.00 -0.78 -0.17 -0.19 0.00 0.00 0.00 173.10 171.96 3giv s TYR 27 N -0.49 1.47 -0.24 1.90 1.51 0.61 -0.64 117.35 121.47 3giv s TYR 27 Ca 0.06 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 3giv s TYR 27 Cb -0.11 -0.90 -0.00 0.00 -0.11 0.00 0.00 41.96 40.83 3giv s TYR 27 CO 0.01 0.03 -0.02 0.08 -1.11 0.00 0.00 175.55 174.53 3giv s VAL 28 N -0.63 3.46 0.00 0.71 1.01 -0.46 -1.43 120.40 123.06 3giv s VAL 28 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3giv s VAL 28 Cb -0.07 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3giv s VAL 28 CO 0.01 0.34 0.00 0.47 0.00 0.00 0.00 175.10 175.92 3giv n ASP 29 N 4.80 0.00 -1.86 3.32 8.00 -0.10 -1.35 116.55 129.36 3giv n ASP 29 Ca -0.17 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.39 3giv n ASP 29 Cb 0.50 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.99 3giv n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3giv n ASP 30 N 5.28 5.55 -4.20 -2.24 8.00 -1.26 -4.88 116.55 122.80 3giv n ASP 30 Ca 0.00 -2.91 -0.34 0.00 0.71 0.00 0.00 54.79 52.25 3giv n ASP 30 Cb 0.00 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.27 3giv n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3giv s THR 31 N -2.71 2.73 0.32 -3.53 2.01 -0.46 -5.01 115.64 108.98 3giv s THR 31 Ca 0.53 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 3giv s THR 31 Cb 0.40 -2.31 -0.10 0.00 0.01 0.00 0.00 72.50 70.51 3giv s THR 31 CO 0.15 0.33 1.30 -1.58 -0.69 0.00 0.00 174.62 174.13 3giv s GLN 32 N 1.34 4.37 0.00 4.92 0.74 -1.26 -1.36 119.66 128.41 3giv s GLN 32 Ca 0.02 2.19 0.00 0.00 0.05 0.00 0.00 55.36 57.62 3giv s GLN 32 Cb -0.15 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 30.87 3giv s GLN 32 CO -0.07 -0.18 0.00 1.97 -0.55 0.00 0.00 175.29 176.47 3giv n PHE 33 N 0.98 0.00 -4.02 1.67 -1.74 0.18 -4.18 117.46 110.35 3giv n PHE 33 Ca 0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.82 3giv n PHE 33 Cb 0.42 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.33 3giv n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3giv s VAL 34 N -1.44 0.20 0.05 1.97 -7.23 -1.21 -0.26 120.40 112.47 3giv s VAL 34 Ca 0.00 -1.61 -0.14 0.00 -1.81 0.00 0.00 61.98 58.42 3giv s VAL 34 Cb 0.00 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.53 3giv s VAL 34 CO 0.00 -0.89 0.31 0.00 -0.31 0.00 0.00 175.10 174.21 3giv s ARG 35 N -3.81 0.83 -0.02 4.82 1.70 -0.71 -1.97 118.95 119.78 3giv s ARG 35 Ca 0.06 -0.50 0.01 0.00 -0.47 0.00 0.00 55.73 54.82 3giv s ARG 35 Cb 0.07 0.36 0.02 0.00 -0.57 0.00 0.00 34.95 34.82 3giv s ARG 35 CO -0.10 -0.27 -0.01 0.12 -1.08 0.00 0.00 175.30 173.96 3giv s PHE 36 N -2.59 0.35 -0.17 5.89 5.36 -0.36 -0.29 117.98 126.17 3giv s PHE 36 Ca -0.05 -0.04 -0.00 0.00 -0.96 0.00 0.00 56.93 55.89 3giv s PHE 36 Cb -0.01 -0.36 0.04 0.00 -0.34 0.00 0.00 43.02 42.35 3giv s PHE 36 CO -0.03 -0.09 -0.07 0.34 -1.46 0.00 0.00 175.22 173.90 3giv s ASP 37 N 0.66 2.87 0.60 6.13 -1.08 -1.26 -1.10 116.67 123.49 3giv s ASP 37 Ca -0.07 -0.66 0.29 0.00 -0.52 0.00 0.00 52.55 51.59 3giv s ASP 37 Cb -0.10 -1.00 1.57 0.00 -1.46 0.00 0.00 42.92 41.93 3giv s ASP 37 CO -0.01 -0.16 1.97 0.77 0.52 0.00 0.00 175.17 178.26 3giv h SER 38 N 8.09 0.00 0.58 -0.34 4.64 -1.17 -1.74 113.55 123.61 3giv h SER 38 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3giv h SER 38 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3giv h SER 38 CO 0.43 0.00 -0.82 0.47 -0.87 0.00 0.00 176.83 176.04 3giv n ASP 39 N -3.63 0.63 -4.85 4.97 9.92 -1.26 -4.96 116.55 117.38 3giv n ASP 39 Ca 0.05 -0.12 -0.30 0.00 -0.53 0.00 0.00 54.79 53.89 3giv n ASP 39 Cb 0.51 0.51 0.08 0.00 -0.64 0.00 0.00 41.12 41.58 3giv n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3giv s ALA 40 N -3.16 2.47 0.15 2.24 0.00 -0.66 -5.00 121.76 117.81 3giv s ALA 40 Ca 0.06 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 3giv s ALA 40 Cb 0.14 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 20.25 3giv s ALA 40 CO 0.76 -1.60 1.64 0.00 0.00 0.00 0.00 175.76 176.57 3giv h ALA 41 N -0.99 0.65 0.00 0.00 0.00 -1.93 -3.34 119.26 113.65 3giv h ALA 41 Ca -0.47 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.12 3giv h ALA 41 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3giv h ALA 41 CO 0.62 0.36 -0.50 0.66 0.00 0.00 0.00 179.25 180.40 3giv h SER 42 N 0.68 0.00 -4.91 0.00 4.64 -1.94 -3.46 113.55 108.55 3giv h SER 42 Ca 0.15 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.11 3giv h SER 42 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3giv h SER 42 CO 0.01 0.50 -0.53 0.00 -0.87 0.00 0.00 176.83 175.93 3giv n GLN 43 N -3.54 -3.60 -4.23 4.77 1.13 -1.26 -4.98 117.38 105.68 3giv n GLN 43 Ca -0.00 0.62 -0.17 0.00 -1.94 0.00 0.00 57.00 55.51 3giv n GLN 43 Cb 0.60 -5.35 -0.11 0.00 0.11 0.00 0.00 30.24 25.49 3giv n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3giv s ARG 44 N -5.77 0.99 0.27 -1.09 0.52 -1.26 -5.03 118.95 107.57 3giv s ARG 44 Ca 0.31 -1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 53.98 3giv s ARG 44 Cb -0.16 -0.80 -0.10 0.00 0.52 0.00 0.00 34.95 34.41 3giv s ARG 44 CO 0.38 0.14 1.46 1.41 0.02 0.00 0.00 175.30 178.71 3giv s MET 45 N -2.78 4.24 0.05 3.54 -2.45 -1.26 -4.64 119.30 116.00 3giv s MET 45 Ca 0.09 2.36 0.07 0.00 -1.25 0.00 0.00 55.69 56.95 3giv s MET 45 Cb -0.04 -3.08 -0.03 0.00 1.25 0.00 0.00 34.83 32.93 3giv s MET 45 CO 0.02 -0.44 -0.19 -1.21 1.05 0.00 0.00 175.02 174.25 3giv s GLU 46 N -0.61 1.22 0.39 4.11 2.02 0.60 -4.87 118.70 121.56 3giv s GLU 46 Ca 0.59 -0.93 -0.25 0.00 0.02 0.00 0.00 54.97 54.40 3giv s GLU 46 Cb -0.43 -1.34 -0.09 0.00 0.10 0.00 0.00 34.13 32.38 3giv s GLU 46 CO 0.46 0.33 1.09 -1.25 0.02 0.00 0.00 175.26 175.91 3giv s PRO 47 N -1.30 4.16 0.00 0.39 0.04 -1.26 -1.75 135.00 135.28 3giv s PRO 47 Ca 0.06 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.73 3giv s PRO 47 Cb -0.09 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3giv s PRO 47 CO 0.02 -0.17 0.67 0.54 0.04 0.00 0.00 177.00 178.10 3giv n ARG 48 N 0.06 1.19 -4.05 4.56 5.12 0.64 -4.84 116.66 119.34 3giv n ARG 48 Ca 0.04 -0.88 -0.13 0.00 -1.93 0.00 0.00 57.85 54.95 3giv n ARG 48 Cb 0.48 -0.75 -0.12 0.00 -1.16 0.00 0.00 32.46 30.91 3giv n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3giv s ALA 49 N -0.42 0.39 0.37 7.54 0.00 -1.22 -4.68 121.76 123.74 3giv s ALA 49 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.50 3giv s ALA 49 Cb 0.00 0.02 0.71 0.00 0.00 0.00 0.00 23.12 23.85 3giv s ALA 49 CO 0.00 -0.02 1.93 -1.00 0.00 0.00 0.00 175.76 176.67 3giv h PRO 50 N 5.06 0.46 0.00 0.00 0.13 -1.94 -3.03 132.00 132.67 3giv h PRO 50 Ca -0.32 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3giv h PRO 50 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3giv h PRO 50 CO 0.44 0.46 0.00 0.11 -0.23 0.00 0.00 178.00 178.78 3giv h TRP 51 N 0.45 0.00 0.00 1.56 5.08 -1.97 -2.84 115.95 118.24 3giv h TRP 51 Ca 0.10 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.06 3giv h TRP 51 Cb 0.25 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.40 3giv h TRP 51 CO 0.01 0.00 -1.04 1.51 -1.28 0.00 0.00 178.44 177.64 3giv n ILE 52 N -2.47 0.66 0.29 0.12 0.13 -1.15 -4.13 119.36 112.81 3giv n ILE 52 Ca 0.02 -0.56 0.20 0.00 -1.10 0.00 0.00 62.75 61.30 3giv n ILE 52 Cb 0.26 -0.36 1.04 0.00 -0.84 0.00 0.00 39.64 39.74 3giv n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3giv h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.56 -1.35 114.58 126.26 3giv h GLU 53 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3giv h GLU 53 Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3giv h GLU 53 CO 0.00 0.00 -0.21 -0.56 -1.00 0.00 0.00 179.01 177.24 3giv h GLN 54 N 0.00 0.00 -6.86 2.33 3.07 -1.75 -3.45 115.11 108.46 3giv h GLN 54 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 3giv h GLN 54 Cb 0.04 0.00 0.11 0.00 0.08 0.00 0.00 27.48 27.70 3giv h GLN 54 CO 0.00 0.21 0.67 0.39 0.09 0.00 0.00 178.83 180.19 3giv n GLU 55 N -3.25 2.46 -1.69 0.06 -0.58 -0.51 -4.98 120.64 112.16 3giv n GLU 55 Ca 0.01 0.86 -0.25 0.00 -0.42 0.00 0.00 57.16 57.37 3giv n GLU 55 Cb 0.50 -2.54 0.17 0.00 -0.57 0.00 0.00 31.44 29.00 3giv n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3giv n GLY 56 N 0.59 -1.26 0.33 0.62 0.00 -1.26 -4.87 105.19 99.34 3giv n GLY 56 Ca 0.03 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.43 3giv n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3giv h PRO 57 N 0.00 0.24 -0.46 1.61 0.13 -1.98 -2.15 132.00 129.39 3giv h PRO 57 Ca -0.36 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 3giv h PRO 57 Cb 1.02 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 3giv h PRO 57 CO 0.26 0.16 0.27 1.49 -0.23 0.00 0.00 178.00 179.95 3giv h GLU 58 N 0.24 0.64 -0.05 0.86 4.22 -1.99 0.44 114.58 118.94 3giv h GLU 58 Ca 0.19 -0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.58 3giv h GLU 58 Cb 0.43 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3giv h GLU 58 CO -0.04 0.49 -0.05 -0.92 -2.18 0.00 0.00 179.01 176.31 3giv h TYR 59 N 0.61 -0.13 -0.28 0.92 5.03 -1.74 -1.85 116.97 119.53 3giv h TYR 59 Ca 0.16 0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.30 3giv h TYR 59 Cb 0.03 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.37 3giv h TYR 59 CO -0.02 -0.08 -0.53 -1.49 -1.32 0.00 0.00 178.16 174.71 3giv h TRP 60 N -0.07 1.08 -0.31 -3.82 4.06 -1.31 0.48 115.95 116.06 3giv h TRP 60 Ca 0.04 -0.39 0.01 0.00 2.06 0.00 0.00 58.89 60.62 3giv h TRP 60 Cb 0.13 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 3giv h TRP 60 CO -0.15 1.21 0.17 -0.44 -3.56 0.00 0.00 178.44 175.67 3giv h ASP 61 N 0.64 0.27 -0.52 -3.49 5.19 -0.94 -0.43 116.42 117.13 3giv h ASP 61 Ca 0.01 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.36 3giv h ASP 61 Cb 1.14 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 3giv h ASP 61 CO 0.12 0.20 0.04 1.23 -3.12 0.00 0.00 179.24 177.71 3giv h GLY 62 N 0.35 0.96 1.06 2.75 0.00 -1.05 -1.18 103.07 105.96 3giv h GLY 62 Ca 0.12 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3giv h GLY 62 CO -0.07 0.62 0.05 0.83 0.00 0.00 0.00 176.54 177.98 3giv h GLU 63 N 0.77 1.03 -0.24 4.80 4.39 -0.80 -1.70 114.58 122.83 3giv h GLU 63 Ca 0.15 -0.30 0.04 0.00 0.34 0.00 0.00 59.36 59.59 3giv h GLU 63 Cb 0.46 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 3giv h GLU 63 CO 0.02 0.99 -0.00 1.15 -1.16 0.00 0.00 179.01 180.00 3giv h THR 64 N 0.93 0.83 0.03 1.13 2.02 -0.94 0.09 112.91 117.01 3giv h THR 64 Ca 0.18 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.36 3giv h THR 64 Cb 0.49 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 3giv h THR 64 CO 0.02 0.01 -0.21 -0.09 0.37 0.00 0.00 175.52 175.63 3giv h ARG 65 N 0.07 -0.34 -0.54 6.66 2.43 -1.05 -2.03 114.38 119.57 3giv h ARG 65 Ca 0.11 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3giv h ARG 65 Cb 0.15 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3giv h ARG 65 CO -0.19 -0.23 0.05 0.87 -1.51 0.00 0.00 179.97 178.97 3giv h LYS 66 N -0.35 0.88 -0.09 0.20 1.57 -1.18 -2.09 116.57 115.52 3giv h LYS 66 Ca 0.05 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 3giv h LYS 66 Cb 0.41 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3giv h LYS 66 CO -0.17 0.85 -0.45 -0.24 -0.57 0.00 0.00 179.45 178.87 3giv h VAL 67 N 0.83 1.33 -0.57 0.50 3.04 -0.86 -1.47 116.25 119.04 3giv h VAL 67 Ca 0.17 -1.61 -0.10 0.00 -1.01 0.00 0.00 66.70 64.14 3giv h VAL 67 Cb 0.42 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.44 3giv h VAL 67 CO 0.01 0.48 -0.04 0.11 -1.01 0.00 0.00 177.57 177.12 3giv h LYS 68 N 0.17 1.04 -0.83 4.17 1.57 -1.20 -1.33 116.57 120.17 3giv h LYS 68 Ca 0.01 -0.35 0.06 0.00 -1.87 0.00 0.00 60.65 58.50 3giv h LYS 68 Cb 0.87 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 3giv h LYS 68 CO 0.07 1.04 0.51 0.00 -0.57 0.00 0.00 179.45 180.50 3giv h ALA 69 N 0.96 1.14 -0.28 3.86 0.00 -0.97 0.66 119.26 124.64 3giv h ALA 69 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3giv h ALA 69 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3giv h ALA 69 CO 0.04 0.23 0.13 0.45 0.00 0.00 0.00 179.25 180.10 3giv h HIS 70 N 0.92 0.40 -0.22 0.00 3.86 -1.12 -2.01 115.15 116.98 3giv h HIS 70 Ca 0.36 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.61 3giv h HIS 70 Cb 0.18 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.47 3giv h HIS 70 CO -0.04 0.37 -0.15 1.03 0.86 0.00 0.00 177.93 180.00 3giv h SER 71 N 0.31 -0.48 -0.23 2.45 0.87 -0.56 -1.14 113.55 114.77 3giv h SER 71 Ca 0.09 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 3giv h SER 71 Cb 0.12 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 3giv h SER 71 CO -0.01 -0.19 -0.04 -0.61 -0.53 0.00 0.00 176.83 175.45 3giv h GLN 72 N -0.14 0.02 -0.28 2.24 5.75 -0.77 -0.55 115.11 121.38 3giv h GLN 72 Ca 0.12 -0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.68 3giv h GLN 72 Cb 0.33 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.82 3giv h GLN 72 CO -0.30 0.01 -0.08 1.15 -2.65 0.00 0.00 178.83 176.96 3giv h THR 73 N 0.02 0.69 -0.69 2.39 2.02 -1.04 -1.52 112.91 114.79 3giv h THR 73 Ca 0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 3giv h THR 73 Cb 0.16 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3giv h THR 73 CO -0.22 0.00 0.33 0.45 0.37 0.00 0.00 175.52 176.45 3giv h HIS 74 N -0.02 0.98 -0.45 3.16 3.86 -0.96 0.51 115.15 122.24 3giv h HIS 74 Ca 0.14 -0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.37 3giv h HIS 74 Cb 0.23 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 28.33 3giv h HIS 74 CO -0.28 0.72 0.14 0.00 0.86 0.00 0.00 177.93 179.36 3giv h ARG 75 N 0.98 0.29 -0.33 2.45 3.08 -0.44 -1.92 114.38 118.49 3giv h ARG 75 Ca 0.24 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.11 3giv h ARG 75 Cb 0.10 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3giv h ARG 75 CO -0.03 0.19 -0.45 0.28 -1.07 0.00 0.00 179.97 178.89 3giv h VAL 76 N 0.29 1.28 -0.57 2.04 2.07 -0.85 -3.21 116.25 117.30 3giv h VAL 76 Ca 0.22 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 3giv h VAL 76 Cb 0.24 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3giv h VAL 76 CO -0.24 0.54 0.26 0.44 0.02 0.00 0.00 177.57 178.59 3giv h ASP 77 N 0.67 0.73 -0.72 0.57 3.32 -0.65 -2.68 116.42 117.66 3giv h ASP 77 Ca 0.04 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.10 3giv h ASP 77 Cb 1.05 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.37 3giv h ASP 77 CO 0.10 0.63 0.48 -0.07 -1.72 0.00 0.00 179.24 178.66 3giv h LEU 78 N 0.80 0.57 0.01 1.55 3.38 -1.35 -1.87 115.31 118.40 3giv h LEU 78 Ca 0.20 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3giv h LEU 78 Cb 0.10 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3giv h LEU 78 CO -0.02 0.34 -0.40 1.23 0.09 0.00 0.00 178.44 179.68 3giv h GLY 79 N 0.64 0.28 -0.05 0.83 0.00 -1.61 -2.60 103.07 100.56 3giv h GLY 79 Ca 0.33 -0.52 0.09 0.00 0.00 0.00 0.00 47.33 47.23 3giv h GLY 79 CO -0.12 0.46 -0.20 -0.84 0.00 0.00 0.00 176.54 175.85 3giv h THR 80 N -0.38 0.40 -0.45 4.70 2.02 -1.27 -1.54 112.91 116.38 3giv h THR 80 Ca -0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3giv h THR 80 Cb 1.17 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3giv h THR 80 CO 0.08 0.00 0.17 -0.07 0.37 0.00 0.00 175.52 176.07 3giv h LEU 81 N -0.10 0.64 -0.69 2.58 3.38 -1.44 0.01 115.31 119.70 3giv h LEU 81 Ca 0.21 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.13 3giv h LEU 81 Cb 0.44 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 3giv h LEU 81 CO -0.51 0.65 0.23 -0.09 0.09 0.00 0.00 178.44 178.80 3giv h ARG 82 N 0.59 0.36 -0.37 1.13 2.43 -1.20 -1.21 114.38 116.12 3giv h ARG 82 Ca 0.15 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3giv h ARG 82 Cb 0.22 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3giv h ARG 82 CO -0.01 0.24 0.00 0.78 -1.51 0.00 0.00 179.97 179.47 3giv h GLY 83 N 0.37 0.71 1.61 2.80 0.00 -0.95 -1.02 103.07 106.58 3giv h GLY 83 Ca 0.37 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3giv h GLY 83 CO -0.40 0.48 0.21 -0.97 0.00 0.00 0.00 176.54 175.86 3giv h TYR 84 N 0.47 0.50 -0.48 5.60 -1.99 -0.35 -2.62 116.97 118.11 3giv h TYR 84 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 3giv h TYR 84 Cb 0.46 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.03 3giv h TYR 84 CO 0.04 0.35 0.00 0.66 -0.00 0.00 0.00 178.16 179.21 3giv n TYR 85 N -4.44 0.63 -3.81 4.88 4.01 -0.52 -4.98 117.16 112.94 3giv n TYR 85 Ca 0.03 -0.37 -0.28 0.00 -0.16 0.00 0.00 57.90 57.12 3giv n TYR 85 Cb 0.09 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.16 3giv n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3giv n ASN 86 N 1.33 -5.27 -4.89 7.72 5.03 -0.76 -4.97 115.26 113.44 3giv n ASN 86 Ca 0.19 -0.70 -0.31 0.00 0.87 0.00 0.00 54.58 54.63 3giv n ASN 86 Cb 0.56 -4.28 -0.04 0.00 -1.02 0.00 0.00 39.78 35.00 3giv n ASN 86 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3giv s GLN 87 N -6.50 3.67 0.72 3.52 -0.21 -0.46 -5.05 119.66 115.35 3giv s GLN 87 Ca 0.63 0.02 -0.11 0.00 0.02 0.00 0.00 55.36 55.91 3giv s GLN 87 Cb -0.30 -2.75 0.03 0.00 1.00 0.00 0.00 33.01 30.99 3giv s GLN 87 CO 0.80 0.37 1.07 -1.54 -2.12 0.00 0.00 175.29 173.86 3giv s SER 88 N -2.62 5.11 0.00 5.90 1.04 -1.26 -4.77 113.70 117.10 3giv s SER 88 Ca 0.43 1.57 0.29 0.00 0.48 0.00 0.00 55.95 58.72 3giv s SER 88 Cb -0.11 -2.41 1.26 0.00 0.10 0.00 0.00 66.02 64.86 3giv s SER 88 CO 0.25 -1.61 1.91 -0.62 0.98 0.00 0.00 173.24 174.15 3giv n GLU 89 N -3.23 0.24 0.08 4.02 1.02 -1.26 -3.82 120.64 117.69 3giv n GLU 89 Ca 0.08 -0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.31 3giv n GLU 89 Cb 0.54 -1.50 0.39 0.00 -0.02 0.00 0.00 31.44 30.85 3giv n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3giv n ALA 90 N -1.35 2.43 -2.82 0.62 0.00 -1.26 -4.68 120.51 113.45 3giv n ALA 90 Ca 0.10 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 3giv n ALA 90 Cb 0.30 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 3giv n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3giv s GLY 91 N -3.50 2.21 0.06 0.00 0.00 -1.25 -4.81 107.32 100.03 3giv s GLY 91 Ca 0.10 -0.72 -0.21 0.00 0.00 0.00 0.00 44.72 43.90 3giv s GLY 91 CO 0.61 -0.66 0.61 -0.45 0.00 0.00 0.00 173.10 173.21 3giv s SER 92 N -2.41 7.08 0.08 1.64 0.15 -1.26 -4.66 113.70 114.32 3giv s SER 92 Ca 0.37 1.29 0.02 0.00 0.70 0.00 0.00 55.95 58.32 3giv s SER 92 Cb -0.13 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 3giv s SER 92 CO 0.26 0.20 -0.07 -1.00 1.20 0.00 0.00 173.24 173.83 3giv s HIS 93 N -0.78 0.84 -0.08 3.44 3.76 -1.26 -4.97 115.29 116.24 3giv s HIS 93 Ca 0.31 -0.76 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 3giv s HIS 93 Cb -0.20 -0.49 -0.00 0.00 1.11 0.00 0.00 32.58 33.00 3giv s HIS 93 CO 0.19 -0.12 -0.24 0.99 -0.85 0.00 0.00 174.74 174.71 3giv s THR 94 N -2.83 2.05 -0.05 1.30 2.01 -1.26 -1.68 115.64 115.18 3giv s THR 94 Ca 0.05 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.04 3giv s THR 94 Cb -0.00 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 3giv s THR 94 CO -0.03 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 3giv s VAL 95 N 0.13 3.06 0.05 3.82 1.01 -0.28 0.54 120.40 128.73 3giv s VAL 95 Ca -0.13 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3giv s VAL 95 Cb -0.16 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3giv s VAL 95 CO 0.07 0.58 -0.12 -1.10 0.00 0.00 0.00 175.10 174.53 3giv s GLN 96 N -0.75 0.79 -0.02 2.72 -0.21 -0.54 -1.17 119.66 120.48 3giv s GLN 96 Ca 0.12 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.71 3giv s GLN 96 Cb -0.11 -0.76 0.01 0.00 1.00 0.00 0.00 33.01 33.16 3giv s GLN 96 CO 0.01 0.18 0.04 0.50 -2.12 0.00 0.00 175.29 173.89 3giv s ARG 97 N -1.32 0.02 -0.02 2.91 3.52 -0.65 -0.45 118.95 122.97 3giv s ARG 97 Ca -0.02 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 3giv s ARG 97 Cb -0.08 -0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.28 3giv s ARG 97 CO 0.01 -0.05 0.01 1.41 -0.81 0.00 0.00 175.30 175.87 3giv s MET 98 N 0.30 0.10 0.05 5.12 1.75 -0.25 -1.31 119.30 125.06 3giv s MET 98 Ca -0.02 0.08 -0.02 0.00 -1.25 0.00 0.00 55.69 54.48 3giv s MET 98 Cb -0.03 -0.27 -0.03 0.00 2.84 0.00 0.00 34.83 37.34 3giv s MET 98 CO -0.01 -0.10 0.00 1.52 -0.65 0.00 0.00 175.02 175.79 3giv s TYR 99 N 0.71 0.45 -4.04 4.11 -0.85 -0.84 -0.61 117.35 116.28 3giv s TYR 99 Ca -0.06 -0.97 0.00 0.00 -0.52 0.00 0.00 57.07 55.51 3giv s TYR 99 Cb -0.09 -0.33 0.00 0.00 0.38 0.00 0.00 41.96 41.92 3giv s TYR 99 CO -0.02 -0.40 0.00 0.41 -1.52 0.00 0.00 175.55 174.03 3giv n GLY 100 N 0.14 -1.20 2.98 5.49 0.00 -0.90 -1.36 105.19 110.34 3giv n GLY 100 Ca -0.15 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 3giv n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3giv s ASP 102 N -1.44 4.10 0.25 0.00 1.01 0.38 -1.48 116.67 119.48 3giv s ASP 102 Ca -0.16 -0.28 0.11 0.00 0.71 0.00 0.00 52.55 52.94 3giv s ASP 102 Cb -0.10 -0.81 -0.05 0.00 1.01 0.00 0.00 42.92 42.97 3giv s ASP 102 CO -0.01 0.29 -0.19 0.68 0.21 0.00 0.00 175.17 176.15 3giv s VAL 103 N -0.89 2.29 0.00 -1.27 -7.23 0.51 -0.62 120.40 113.19 3giv s VAL 103 Ca 0.14 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 3giv s VAL 103 Cb -0.11 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3giv s VAL 103 CO 0.04 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 3giv n GLY 104 N -0.41 -0.37 0.03 2.32 0.00 -0.91 -1.71 105.19 104.14 3giv n GLY 104 Ca -0.07 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.35 3giv n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3giv n SER 105 N -0.84 0.17 -1.07 1.61 3.41 -1.25 -2.08 113.62 113.57 3giv n SER 105 Ca 0.00 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 3giv n SER 105 Cb 0.00 -0.57 0.27 0.00 -0.26 0.00 0.00 64.21 63.65 3giv n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3giv n ASP 106 N -1.67 3.15 -1.37 4.04 5.68 -1.26 -4.82 116.55 120.30 3giv n ASP 106 Ca 0.05 -1.96 -0.18 0.00 -0.50 0.00 0.00 54.79 52.20 3giv n ASP 106 Cb 0.29 -0.32 -0.08 0.00 -1.14 0.00 0.00 41.12 39.88 3giv n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3giv n TRP 107 N 1.25 0.00 -3.76 2.11 7.02 -0.88 -5.00 117.44 118.17 3giv n TRP 107 Ca 0.20 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.33 3giv n TRP 107 Cb 0.53 -3.08 -0.05 0.00 -2.42 0.00 0.00 31.31 26.29 3giv n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3giv s ARG 108 N -3.51 3.57 0.05 -0.99 0.52 -1.26 -4.81 118.95 112.53 3giv s ARG 108 Ca 0.00 -0.09 -0.37 0.00 -0.52 0.00 0.00 55.73 54.75 3giv s ARG 108 Cb 0.00 -3.07 -0.17 0.00 0.52 0.00 0.00 34.95 32.24 3giv s ARG 108 CO 0.00 0.64 1.38 0.34 0.02 0.00 0.00 175.30 177.68 3giv n PHE 109 N 1.04 1.57 -0.08 -0.53 7.35 -1.26 -2.13 117.46 123.41 3giv n PHE 109 Ca -0.11 0.63 -0.16 0.00 -0.76 0.00 0.00 57.45 57.05 3giv n PHE 109 Cb 0.53 -2.34 -0.06 0.00 0.35 0.00 0.00 39.48 37.96 3giv n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3giv n LEU 110 N 2.80 1.12 -3.53 -2.13 7.94 0.21 -4.84 117.00 118.57 3giv n LEU 110 Ca 0.19 0.18 -0.08 0.00 -1.11 0.00 0.00 56.01 55.20 3giv n LEU 110 Cb 0.19 -0.45 -0.02 0.00 0.53 0.00 0.00 43.42 43.66 3giv n LEU 110 CO 0.64 0.33 0.70 0.00 -1.11 0.00 0.00 177.39 177.95 3giv s ARG 111 N -2.28 0.84 0.17 1.96 1.70 -1.17 -5.01 118.95 115.16 3giv s ARG 111 Ca -0.22 -0.33 0.10 0.00 -0.47 0.00 0.00 55.73 54.81 3giv s ARG 111 Cb 0.08 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 3giv s ARG 111 CO 0.27 -0.37 -0.20 0.20 -1.08 0.00 0.00 175.30 174.12 3giv s GLY 112 N -2.52 1.51 -0.01 3.88 0.00 -1.26 -0.47 107.32 108.45 3giv s GLY 112 Ca 0.06 -1.54 0.01 0.00 0.00 0.00 0.00 44.72 43.25 3giv s GLY 112 CO -0.08 -1.58 -0.04 -0.19 0.00 0.00 0.00 173.10 171.21 3giv s TYR 113 N -1.88 0.37 -0.23 1.90 1.51 -0.19 -4.82 117.35 114.01 3giv s TYR 113 Ca 0.17 -0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.13 3giv s TYR 113 Cb -0.07 -0.27 0.12 0.00 -0.11 0.00 0.00 41.96 41.63 3giv s TYR 113 CO 0.08 -0.03 0.35 -1.58 -1.11 0.00 0.00 175.55 173.26 3giv s HIS 114 N 0.07 -0.72 0.03 2.71 2.46 -1.26 -2.13 115.29 116.46 3giv s HIS 114 Ca -0.00 0.81 0.05 0.00 0.47 0.00 0.00 55.06 56.39 3giv s HIS 114 Cb -0.03 -0.02 -0.02 0.00 -0.13 0.00 0.00 32.58 32.38 3giv s HIS 114 CO -0.00 -0.66 -0.15 -0.65 -2.47 0.00 0.00 174.74 170.80 3giv s GLN 115 N 2.51 1.06 -0.01 2.88 -0.21 0.22 -0.62 119.66 125.49 3giv s GLN 115 Ca 0.10 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.74 3giv s GLN 115 Cb -0.15 -1.09 0.01 0.00 1.00 0.00 0.00 33.01 32.78 3giv s GLN 115 CO -0.15 0.28 -0.02 -0.47 -2.12 0.00 0.00 175.29 172.81 3giv s TYR 116 N -0.75 0.34 0.03 0.91 5.04 -0.21 -1.09 117.35 121.62 3giv s TYR 116 Ca 0.03 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.65 3giv s TYR 116 Cb -0.08 -0.29 -0.02 0.00 0.35 0.00 0.00 41.96 41.92 3giv s TYR 116 CO 0.01 -0.05 -0.10 0.00 -1.34 0.00 0.00 175.55 174.06 3giv s ALA 117 N 0.32 0.82 -0.14 3.97 0.00 0.41 -1.07 121.76 126.06 3giv s ALA 117 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3giv s ALA 117 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3giv s ALA 117 CO -0.01 0.12 -0.19 -0.47 0.00 0.00 0.00 175.76 175.22 3giv s TYR 118 N -0.84 2.72 -1.48 0.00 5.04 -0.83 -1.47 117.35 120.49 3giv s TYR 118 Ca -0.02 -1.19 -0.07 0.00 -2.44 0.00 0.00 57.07 53.36 3giv s TYR 118 Cb -0.07 -1.84 0.05 0.00 0.35 0.00 0.00 41.96 40.45 3giv s TYR 118 CO 0.01 -0.54 0.65 -0.25 -1.34 0.00 0.00 175.55 174.08 3giv n ASP 119 N 4.03 -1.95 0.00 4.32 8.00 0.19 -2.91 116.55 128.23 3giv n ASP 119 Ca -0.19 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3giv n ASP 119 Cb 0.52 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 3giv n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3giv n GLY 120 N -1.74 0.79 3.19 0.44 0.00 -1.26 -5.01 105.19 101.60 3giv n GLY 120 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 3giv n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3giv s LYS 121 N -0.21 0.89 -0.00 1.61 -2.85 -1.15 -5.11 119.74 112.93 3giv s LYS 121 Ca 0.00 -0.98 -0.39 0.00 -1.00 0.00 0.00 55.97 53.60 3giv s LYS 121 Cb 0.00 -0.95 -0.19 0.00 -2.06 0.00 0.00 37.83 34.63 3giv s LYS 121 CO 0.00 0.22 1.20 -0.25 0.10 0.00 0.00 175.35 176.61 3giv n ASP 122 N 1.29 0.63 -0.01 0.03 8.00 -1.26 -1.97 116.55 123.27 3giv n ASP 122 Ca -0.21 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.43 3giv n ASP 122 Cb 0.54 -1.01 -0.00 0.00 -0.02 0.00 0.00 41.12 40.63 3giv n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3giv n TYR 123 N 2.03 0.00 -3.89 1.24 9.36 -0.23 -4.69 117.16 120.97 3giv n TYR 123 Ca 0.20 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.31 3giv n TYR 123 Cb 0.11 -0.07 -0.11 0.00 -0.63 0.00 0.00 39.34 38.65 3giv n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3giv s ILE 124 N -1.36 0.08 -0.06 2.97 2.07 -1.02 -0.66 121.20 123.21 3giv s ILE 124 Ca -0.04 -0.63 -0.07 0.00 -1.41 0.00 0.00 60.65 58.50 3giv s ILE 124 Cb 0.01 -0.35 0.02 0.00 0.13 0.00 0.00 42.46 42.27 3giv s ILE 124 CO 0.06 -0.34 0.20 0.00 -1.91 0.00 0.00 174.94 172.94 3giv s ALA 125 N -1.16 -0.48 0.30 1.50 0.00 -0.87 -1.04 121.76 120.01 3giv s ALA 125 Ca -0.13 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 3giv s ALA 125 Cb -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 23.12 22.70 3giv s ALA 125 CO 0.01 -0.12 1.21 -1.17 0.00 0.00 0.00 175.76 175.69 3giv s LEU 126 N -0.18 4.48 0.73 0.00 2.96 0.21 -0.11 118.68 126.76 3giv s LEU 126 Ca -0.03 2.49 -0.10 0.00 -0.22 0.00 0.00 54.13 56.27 3giv s LEU 126 Cb -0.03 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 43.07 3giv s LEU 126 CO 0.01 -0.36 1.09 -0.54 -1.32 0.00 0.00 176.35 175.22 3giv s LYS 127 N -1.57 2.47 0.50 1.98 1.02 0.27 -4.61 119.74 119.79 3giv s LYS 127 Ca 0.47 0.18 0.15 0.00 0.02 0.00 0.00 55.97 56.79 3giv s LYS 127 Cb -0.36 -2.05 1.20 0.00 -0.52 0.00 0.00 37.83 36.09 3giv s LYS 127 CO 0.47 -1.21 2.12 1.49 -0.92 0.00 0.00 175.35 177.30 3giv h GLU 128 N -0.72 0.05 0.00 1.68 4.81 -1.88 0.15 114.58 118.66 3giv h GLU 128 Ca -0.45 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3giv h GLU 128 Cb 1.29 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3giv h GLU 128 CO 0.64 0.06 0.00 -0.40 -0.73 0.00 0.00 179.01 178.57 3giv n ASP 129 N -4.50 0.45 -1.67 1.04 5.68 -1.26 -4.78 116.55 111.51 3giv n ASP 129 Ca -0.02 0.63 -0.18 0.00 -0.50 0.00 0.00 54.79 54.72 3giv n ASP 129 Cb 0.11 -0.72 -0.05 0.00 -1.14 0.00 0.00 41.12 39.32 3giv n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3giv n LEU 130 N -2.02 -1.53 0.00 -2.12 4.77 0.51 -4.84 117.00 111.77 3giv n LEU 130 Ca 0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3giv n LEU 130 Cb 0.16 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 3giv n LEU 130 CO 0.15 -0.67 -0.37 0.54 -1.33 0.00 0.00 177.39 175.71 3giv n ARG 131 N -2.58 1.65 -4.18 3.23 1.74 -1.26 -4.62 116.66 110.63 3giv n ARG 131 Ca -0.20 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.77 3giv n ARG 131 Cb 0.63 -0.85 -0.10 0.00 -1.02 0.00 0.00 32.46 31.11 3giv n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3giv s SER 132 N -1.61 0.34 0.02 0.55 1.04 -1.26 -4.93 113.70 107.85 3giv s SER 132 Ca 0.00 -1.29 0.08 0.00 0.48 0.00 0.00 55.95 55.22 3giv s SER 132 Cb 0.00 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 3giv s SER 132 CO 0.00 -0.77 -0.24 0.26 0.98 0.00 0.00 173.24 173.48 3giv s TRP 133 N -4.06 2.41 -0.37 5.02 0.52 -1.26 -0.56 118.94 120.63 3giv s TRP 133 Ca 0.31 -0.36 -0.12 0.00 0.02 0.00 0.00 56.10 55.94 3giv s TRP 133 Cb 0.07 -1.45 0.01 0.00 -1.15 0.00 0.00 33.47 30.96 3giv s TRP 133 CO 0.07 0.13 0.24 0.99 0.02 0.00 0.00 176.95 178.39 3giv s THR 134 N -0.79 4.93 -0.20 2.01 2.01 0.84 -4.90 115.64 119.54 3giv s THR 134 Ca 0.12 -0.63 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 3giv s THR 134 Cb -0.10 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3giv s THR 134 CO 0.02 -0.19 0.59 0.00 -0.69 0.00 0.00 174.62 174.36 3giv s ALA 135 N 1.63 3.54 0.29 7.40 0.00 -1.26 -2.06 121.76 131.31 3giv s ALA 135 Ca 0.04 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.73 3giv s ALA 135 Cb -0.19 -2.92 0.45 0.00 0.00 0.00 0.00 23.12 20.47 3giv s ALA 135 CO 0.08 -0.52 1.71 0.00 0.00 0.00 0.00 175.76 177.03 3giv h ALA 136 N 7.49 1.11 -3.14 0.00 0.00 -1.17 -3.47 119.26 120.08 3giv h ALA 136 Ca -0.32 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 3giv h ALA 136 Cb 1.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3giv h ALA 136 CO 0.76 0.57 -0.05 -0.40 0.00 0.00 0.00 179.25 180.14 3giv n ASP 137 N -4.06 -0.66 -0.18 0.00 5.68 -1.26 -5.05 116.55 111.01 3giv n ASP 137 Ca -0.01 -1.84 -0.07 0.00 -0.50 0.00 0.00 54.79 52.36 3giv n ASP 137 Cb 0.45 1.21 0.02 0.00 -1.14 0.00 0.00 41.12 41.67 3giv n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 3giv h MET 138 N 0.00 0.75 -0.99 0.11 1.85 -1.99 -2.55 114.93 112.11 3giv h MET 138 Ca -0.13 -0.10 0.01 0.00 -0.61 0.00 0.00 59.70 58.88 3giv h MET 138 Cb 0.54 -0.14 -0.05 0.00 0.43 0.00 0.00 31.60 32.38 3giv h MET 138 CO 0.17 0.60 0.65 0.00 -0.40 0.00 0.00 176.91 177.94 3giv h ALA 139 N 1.11 1.26 0.00 0.39 0.00 -1.98 -1.89 119.26 118.15 3giv h ALA 139 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3giv h ALA 139 Cb 0.09 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3giv h ALA 139 CO -0.03 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 3giv h ALA 140 N 1.37 1.02 -0.56 0.00 0.00 -1.80 -2.61 119.26 116.69 3giv h ALA 140 Ca 0.37 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3giv h ALA 140 Cb -0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3giv h ALA 140 CO -0.08 0.07 0.12 1.96 0.00 0.00 0.00 179.25 181.32 3giv h GLN 141 N 0.00 0.86 -0.10 0.00 4.20 -0.93 0.18 115.11 119.32 3giv h GLN 141 Ca -0.00 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.57 3giv h GLN 141 Cb 0.53 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 3giv h GLN 141 CO 0.01 0.79 -0.23 1.15 -0.67 0.00 0.00 178.83 179.87 3giv h THR 142 N 0.83 0.45 -0.57 -0.54 2.02 -1.47 -2.07 112.91 111.55 3giv h THR 142 Ca 0.18 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.39 3giv h THR 142 Cb 0.32 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3giv h THR 142 CO 0.00 0.00 0.34 0.74 0.37 0.00 0.00 175.52 176.97 3giv h THR 143 N -0.30 1.04 -0.40 3.16 2.02 -1.49 -1.97 112.91 114.97 3giv h THR 143 Ca 0.09 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.12 3giv h THR 143 Cb 0.44 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 3giv h THR 143 CO -0.28 0.12 0.02 0.50 0.37 0.00 0.00 175.52 176.25 3giv h LYS 144 N 0.66 0.13 -0.23 6.66 3.64 -0.50 0.13 116.57 127.06 3giv h LYS 144 Ca 0.24 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.44 3giv h LYS 144 Cb 0.05 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3giv h LYS 144 CO -0.11 0.08 -0.53 0.45 -2.27 0.00 0.00 179.45 177.07 3giv h HIS 145 N 0.13 0.85 0.02 1.91 3.86 -1.19 -0.70 115.15 120.02 3giv h HIS 145 Ca 0.20 -0.30 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3giv h HIS 145 Cb 0.27 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3giv h HIS 145 CO -0.25 1.06 -0.06 0.87 0.86 0.00 0.00 177.93 180.41 3giv h LYS 146 N 0.52 -0.11 -0.13 2.45 1.57 -1.13 -2.15 116.57 117.59 3giv h LYS 146 Ca 0.01 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3giv h LYS 146 Cb 1.10 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3giv h LYS 146 CO 0.11 -0.07 -0.24 -1.49 -0.57 0.00 0.00 179.45 177.19 3giv h TRP 147 N -0.11 0.25 -0.73 -1.35 4.06 -0.70 -1.66 115.95 115.71 3giv h TRP 147 Ca 0.02 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3giv h TRP 147 Cb 0.13 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 3giv h TRP 147 CO -0.12 0.46 0.40 0.93 -3.56 0.00 0.00 178.44 176.55 3giv h GLU 148 N 0.21 1.01 0.00 0.49 5.08 -1.02 -1.65 114.58 118.70 3giv h GLU 148 Ca 0.04 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3giv h GLU 148 Cb 0.54 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3giv h GLU 148 CO 0.04 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.79 3giv n ALA 149 N -2.35 2.13 0.37 3.43 0.00 -0.80 -2.67 120.51 120.64 3giv n ALA 149 Ca 0.06 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.54 3giv n ALA 149 Cb 0.09 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.18 3giv n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3giv n ALA 150 N -1.67 2.42 -2.83 0.00 0.00 -0.69 -4.99 120.51 112.75 3giv n ALA 150 Ca 0.05 -0.72 -0.21 0.00 0.00 0.00 0.00 53.44 52.57 3giv n ALA 150 Cb 0.35 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.37 3giv n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3giv n HIS 151 N 0.69 -1.61 -0.05 0.00 -0.00 -0.68 -4.87 115.22 108.71 3giv n HIS 151 Ca 0.09 0.30 0.08 0.00 -0.00 0.00 0.00 57.72 58.19 3giv n HIS 151 Cb 0.34 -3.83 0.47 0.00 -0.00 0.00 0.00 29.99 26.97 3giv n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3giv h VAL 152 N -0.74 0.98 -0.14 1.59 2.07 -1.69 -1.98 116.25 116.34 3giv h VAL 152 Ca -0.47 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3giv h VAL 152 Cb 1.33 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3giv h VAL 152 CO 0.53 0.09 -0.31 0.00 0.02 0.00 0.00 177.57 177.90 3giv h ALA 153 N 1.72 1.21 -0.54 1.67 0.00 -1.90 -2.44 119.26 118.97 3giv h ALA 153 Ca 0.22 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3giv h ALA 153 Cb 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3giv h ALA 153 CO -0.06 0.52 0.14 0.93 0.00 0.00 0.00 179.25 180.78 3giv h GLU 154 N 0.24 0.87 -0.18 0.00 3.07 -1.65 0.02 114.58 116.96 3giv h GLU 154 Ca 0.03 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 58.64 3giv h GLU 154 Cb 0.68 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3giv h GLU 154 CO 0.05 0.81 -0.09 1.96 -1.40 0.00 0.00 179.01 180.34 3giv h GLN 155 N 0.77 0.37 -0.38 2.33 4.20 -1.48 -2.81 115.11 118.11 3giv h GLN 155 Ca 0.17 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.74 3giv h GLN 155 Cb 0.33 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 3giv h GLN 155 CO 0.00 0.68 0.20 -0.07 -0.67 0.00 0.00 178.83 178.97 3giv h LEU 156 N 0.05 0.29 -0.65 1.46 3.38 -1.43 -2.71 115.31 115.71 3giv h LEU 156 Ca 0.04 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3giv h LEU 156 Cb 0.57 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3giv h LEU 156 CO 0.03 0.22 0.36 -0.09 0.09 0.00 0.00 178.44 179.04 3giv h ARG 157 N 0.40 0.66 -0.68 1.13 2.43 -1.00 0.56 114.38 117.87 3giv h ARG 157 Ca 0.16 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3giv h ARG 157 Cb 0.05 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3giv h ARG 157 CO -0.10 0.43 0.27 0.00 -1.51 0.00 0.00 179.97 179.07 3giv h ALA 158 N 1.33 0.89 0.22 2.80 0.00 -1.42 -1.56 119.26 121.52 3giv h ALA 158 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3giv h ALA 158 Cb 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3giv h ALA 158 CO -0.17 0.51 -0.10 -0.92 0.00 0.00 0.00 179.25 178.56 3giv h TYR 159 N 0.97 -0.27 -0.60 0.00 3.20 -1.14 -2.51 116.97 116.62 3giv h TYR 159 Ca 0.23 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 3giv h TYR 159 Cb 0.21 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3giv h TYR 159 CO 0.01 -0.07 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.37 3giv h LEU 160 N -0.42 1.06 0.00 2.82 3.38 -0.79 0.27 115.31 121.63 3giv h LEU 160 Ca -0.03 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3giv h LEU 160 Cb 0.32 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3giv h LEU 160 CO 0.05 1.12 -0.16 -0.62 0.09 0.00 0.00 178.44 178.91 3giv n GLU 161 N -4.17 0.13 0.00 1.13 1.02 -0.60 -4.12 120.64 114.03 3giv n GLU 161 Ca 0.03 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3giv n GLU 161 Cb 0.36 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3giv n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3giv n GLY 162 N 1.41 0.57 0.35 0.62 0.00 -0.90 -4.70 105.19 102.54 3giv n GLY 162 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3giv n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3giv h THR 163 N 0.00 1.16 -0.25 2.61 1.03 -1.46 -1.45 112.91 114.54 3giv h THR 163 Ca 0.00 -0.33 0.05 0.00 -0.01 0.00 0.00 66.41 66.12 3giv h THR 163 Cb 0.00 0.12 -0.05 0.00 -1.07 0.00 0.00 68.15 67.15 3giv h THR 163 CO 0.00 0.17 -0.07 0.00 -0.01 0.00 0.00 175.52 175.61 3giv h VAL 165 N -0.02 1.27 -0.55 0.00 -1.51 -1.49 -1.18 116.25 112.76 3giv h VAL 165 Ca 0.12 -1.54 -0.01 0.00 -1.23 0.00 0.00 66.70 64.04 3giv h VAL 165 Cb 0.21 1.37 -0.03 0.00 -2.13 0.00 0.00 31.29 30.71 3giv h VAL 165 CO -0.27 0.51 0.32 -0.33 -1.23 0.00 0.00 177.57 176.58 3giv h GLU 166 N 0.74 0.76 -0.38 5.19 5.08 -1.20 -0.89 114.58 123.88 3giv h GLU 166 Ca 0.06 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 3giv h GLU 166 Cb 0.95 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3giv h GLU 166 CO 0.09 0.57 -0.37 -1.49 -1.00 0.00 0.00 179.01 176.81 3giv h TRP 167 N 0.75 1.09 -0.25 4.33 4.06 -1.07 -1.83 115.95 123.03 3giv h TRP 167 Ca 0.20 -0.32 0.04 0.00 2.06 0.00 0.00 58.89 60.87 3giv h TRP 167 Cb 0.01 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 27.91 3giv h TRP 167 CO -0.02 1.14 0.02 1.25 -3.56 0.00 0.00 178.44 177.26 3giv h LEU 168 N 0.75 -0.06 -0.70 -4.49 5.85 -1.07 0.25 115.31 115.84 3giv h LEU 168 Ca 0.06 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3giv h LEU 168 Cb 0.95 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 3giv h LEU 168 CO 0.09 0.00 0.44 0.03 -0.34 0.00 0.00 178.44 178.66 3giv h ARG 169 N 0.10 0.82 -0.50 1.25 3.08 -1.11 -0.82 114.38 117.20 3giv h ARG 169 Ca 0.12 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3giv h ARG 169 Cb 0.14 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3giv h ARG 169 CO -0.18 0.55 0.31 -0.09 -1.07 0.00 0.00 179.97 179.49 3giv h ARG 170 N 0.85 0.61 -0.41 0.04 2.43 -0.85 -1.73 114.38 115.33 3giv h ARG 170 Ca 0.29 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3giv h ARG 170 Cb 0.04 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3giv h ARG 170 CO -0.12 0.41 0.15 1.88 -1.51 0.00 0.00 179.97 180.78 3giv h TYR 171 N 0.63 0.64 -0.68 2.20 0.05 -0.61 -0.49 116.97 118.71 3giv h TYR 171 Ca 0.20 -0.05 0.09 0.00 0.05 0.00 0.00 58.73 59.02 3giv h TYR 171 Cb -0.02 -0.19 -0.07 0.00 1.01 0.00 0.00 36.73 37.46 3giv h TYR 171 CO -0.06 0.57 0.32 -0.07 -1.05 0.00 0.00 178.16 177.87 3giv h LEU 172 N 0.52 0.39 0.35 3.88 3.38 -0.98 0.20 115.31 123.06 3giv h LEU 172 Ca 0.14 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3giv h LEU 172 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3giv h LEU 172 CO -0.01 0.22 -0.17 -0.33 0.09 0.00 0.00 178.44 178.25 3giv h GLU 173 N 0.55 -0.46 -0.07 1.13 5.08 -1.12 -2.38 114.58 117.30 3giv h GLU 173 Ca 0.34 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3giv h GLU 173 Cb 0.38 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3giv h GLU 173 CO -0.28 -0.14 -0.14 -0.91 -1.00 0.00 0.00 179.01 176.55 3giv h ASN 174 N -0.88 0.11 -0.66 1.42 -0.26 -0.91 -2.73 115.58 111.67 3giv h ASN 174 Ca -0.05 -0.02 -0.34 0.00 -0.56 0.00 0.00 56.30 55.33 3giv h ASN 174 Cb 0.53 -0.03 -0.20 0.00 -1.06 0.00 0.00 38.32 37.56 3giv h ASN 174 CO 0.08 0.26 0.26 0.61 -1.06 0.00 0.00 177.43 177.58 3giv n GLY 175 N -1.00 4.74 0.24 2.83 0.00 0.69 -4.84 105.19 107.84 3giv n GLY 175 Ca -0.02 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 3giv n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3giv h LYS 176 N 1.02 -0.02 0.00 1.61 3.64 -1.10 0.27 116.57 121.99 3giv h LYS 176 Ca 0.42 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3giv h LYS 176 Cb 2.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 34.04 3giv h LYS 176 CO 0.73 -0.01 -0.02 0.93 -2.27 0.00 0.00 179.45 178.81 3giv h GLU 177 N -0.02 0.00 0.00 1.90 5.08 -1.88 -1.68 114.58 117.97 3giv h GLU 177 Ca 0.27 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.44 3giv h GLU 177 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3giv h GLU 177 CO -0.60 0.02 -1.13 1.15 -1.00 0.00 0.00 179.01 177.45 3giv h THR 178 N 0.00 0.80 0.00 1.13 2.02 -1.67 -3.40 112.91 111.79 3giv h THR 178 Ca -0.00 -2.01 -0.27 0.00 0.77 0.00 0.00 66.41 64.90 3giv h THR 178 Cb 0.03 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 3giv h THR 178 CO 0.00 0.27 -1.50 -0.07 0.37 0.00 0.00 175.52 174.59 3giv h LEU 179 N -1.00 0.00 -2.05 2.58 3.38 -0.45 -3.28 115.31 114.50 3giv h LEU 179 Ca -0.29 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3giv h LEU 179 Cb 1.18 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3giv h LEU 179 CO -0.18 1.00 0.00 0.00 0.09 0.00 0.00 178.44 179.36 3giv n GLN 180 N -3.13 2.30 -3.28 1.13 6.02 -0.64 -4.92 117.38 114.85 3giv n GLN 180 Ca -0.12 -2.01 -0.34 0.00 -0.01 0.00 0.00 57.00 54.52 3giv n GLN 180 Cb 1.02 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.78 3giv n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3giv s ARG 181 N -1.29 3.99 -0.12 -1.09 1.70 -1.24 -5.03 118.95 115.88 3giv s ARG 181 Ca 0.38 0.54 0.02 0.00 -0.47 0.00 0.00 55.73 56.20 3giv s ARG 181 Cb 0.20 -2.77 0.01 0.00 -0.57 0.00 0.00 34.95 31.82 3giv s ARG 181 CO 0.26 0.37 -0.19 0.95 -1.08 0.00 0.00 175.30 175.61 3giv s THR 182 N -1.65 1.80 -0.38 4.99 -4.23 -1.26 -4.70 115.64 110.21 3giv s THR 182 Ca 0.44 -0.83 -0.13 0.00 -1.18 0.00 0.00 61.69 59.99 3giv s THR 182 Cb -0.14 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.12 3giv s THR 182 CO 0.20 0.50 0.24 -1.81 -0.54 0.00 0.00 174.62 173.21 3giv s ASP 183 N 0.81 5.90 0.42 3.99 1.01 0.43 -4.93 116.67 124.30 3giv s ASP 183 Ca -0.09 -0.87 -0.25 0.00 0.71 0.00 0.00 52.55 52.05 3giv s ASP 183 Cb -0.16 -2.09 -0.08 0.00 1.01 0.00 0.00 42.92 41.61 3giv s ASP 183 CO -0.00 -0.38 1.26 0.00 0.21 0.00 0.00 175.17 176.26 3giv s ALA 184 N 1.62 3.16 0.36 5.23 0.00 -1.26 -1.63 121.76 129.25 3giv s ALA 184 Ca 0.04 1.15 -0.28 0.00 0.00 0.00 0.00 51.96 52.86 3giv s ALA 184 Cb -0.19 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 3giv s ALA 184 CO 0.08 -0.79 1.42 -1.25 0.00 0.00 0.00 175.76 175.22 3giv s PRO 185 N -2.36 4.20 -0.12 0.00 0.04 -1.26 -4.56 135.00 130.94 3giv s PRO 185 Ca 0.59 2.44 -0.25 0.00 0.04 0.00 0.00 61.00 63.82 3giv s PRO 185 Cb -0.36 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 3giv s PRO 185 CO 0.45 -0.41 0.78 0.15 0.04 0.00 0.00 177.00 178.01 3giv s LYS 186 N -1.96 4.37 0.06 4.56 1.02 -0.46 -4.86 119.74 122.46 3giv s LYS 186 Ca 0.51 0.97 0.09 0.00 0.02 0.00 0.00 55.97 57.57 3giv s LYS 186 Cb -0.44 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.32 3giv s LYS 186 CO 0.59 -0.15 -0.24 0.95 -0.92 0.00 0.00 175.35 175.58 3giv s THR 187 N 1.52 2.34 0.23 2.17 -4.23 -1.26 -1.31 115.64 115.10 3giv s THR 187 Ca 0.39 -1.41 -0.22 0.00 -1.18 0.00 0.00 61.69 59.27 3giv s THR 187 Cb -0.17 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 71.75 3giv s THR 187 CO 0.16 0.31 0.69 -1.38 -0.54 0.00 0.00 174.62 173.86 3giv s HIS 188 N -0.88 -0.31 -0.01 3.99 -3.43 -1.04 -5.01 115.29 108.61 3giv s HIS 188 Ca 0.13 -0.06 0.07 0.00 -0.80 0.00 0.00 55.06 54.40 3giv s HIS 188 Cb -0.10 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.69 3giv s HIS 188 CO 0.04 -1.08 -0.22 1.41 -2.00 0.00 0.00 174.74 172.88 3giv s MET 189 N -3.83 1.72 0.19 -0.38 1.75 -1.26 -0.62 119.30 116.87 3giv s MET 189 Ca 0.08 -0.81 0.08 0.00 -1.25 0.00 0.00 55.69 53.79 3giv s MET 189 Cb -0.04 -1.69 -0.04 0.00 2.84 0.00 0.00 34.83 35.89 3giv s MET 189 CO -0.00 0.46 -0.03 0.95 -0.65 0.00 0.00 175.02 175.75 3giv s THR 190 N -0.55 3.51 -0.07 10.11 -4.23 -0.10 -4.96 115.64 119.36 3giv s THR 190 Ca 0.08 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3giv s THR 190 Cb -0.08 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 71.00 3giv s THR 190 CO -0.00 -0.15 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.58 3giv s HIS 191 N -1.81 1.04 -0.02 3.99 2.46 -1.26 -1.56 115.29 118.13 3giv s HIS 191 Ca 0.27 -0.38 -0.00 0.00 0.47 0.00 0.00 55.06 55.42 3giv s HIS 191 Cb -0.09 -0.88 0.03 0.00 -0.13 0.00 0.00 32.58 31.51 3giv s HIS 191 CO 0.18 -0.29 0.03 -1.58 -2.47 0.00 0.00 174.74 170.61 3giv s HIS 192 N 1.14 0.01 -0.12 3.88 5.04 -0.50 -4.99 115.29 119.76 3giv s HIS 192 Ca -0.07 0.14 -0.30 0.00 -1.54 0.00 0.00 55.06 53.30 3giv s HIS 192 Cb -0.14 -0.20 -0.02 0.00 0.04 0.00 0.00 32.58 32.27 3giv s HIS 192 CO -0.01 -0.08 1.11 0.00 -2.34 0.00 0.00 174.74 173.41 3giv s ALA 193 N 0.95 3.52 0.02 1.58 0.00 -1.26 0.19 121.76 126.75 3giv s ALA 193 Ca -0.08 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.35 3giv s ALA 193 Cb -0.11 -3.50 -0.25 0.00 0.00 0.00 0.00 23.12 19.25 3giv s ALA 193 CO -0.03 -0.80 0.89 0.28 0.00 0.00 0.00 175.76 176.10 3giv h VAL 194 N 5.18 1.19 -2.49 0.00 2.07 -1.57 -3.47 116.25 117.16 3giv h VAL 194 Ca -0.29 -2.91 -0.04 0.00 0.82 0.00 0.00 66.70 64.28 3giv h VAL 194 Cb 1.13 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 3giv h VAL 194 CO 0.90 0.77 0.05 -1.54 0.02 0.00 0.00 177.57 177.77 3giv n SER 195 N -3.32 -0.73 0.06 0.57 3.41 -0.91 -4.97 113.62 107.72 3giv n SER 195 Ca -0.13 -1.62 0.10 0.00 -0.26 0.00 0.00 58.87 56.96 3giv n SER 195 Cb 1.02 1.26 0.42 0.00 -0.26 0.00 0.00 64.21 66.65 3giv n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3giv n ASP 196 N -1.44 0.36 -0.01 4.04 5.68 -1.26 -3.61 116.55 120.31 3giv n ASP 196 Ca -0.02 0.58 0.01 0.00 -0.50 0.00 0.00 54.79 54.86 3giv n ASP 196 Cb 0.22 -0.66 -0.01 0.00 -1.14 0.00 0.00 41.12 39.53 3giv n ASP 196 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3giv n HIS 197 N -1.88 0.00 -3.95 2.11 1.44 -1.26 -4.88 115.22 106.79 3giv n HIS 197 Ca 0.03 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.65 3giv n HIS 197 Cb 0.23 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.24 3giv n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3giv s GLU 198 N -1.15 0.41 0.03 -1.40 2.02 -1.24 -1.09 118.70 116.28 3giv s GLU 198 Ca 0.01 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.39 3giv s GLU 198 Cb 0.02 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.38 3giv s GLU 198 CO 0.09 -0.08 -0.05 0.00 0.02 0.00 0.00 175.26 175.24 3giv s ALA 199 N -1.76 0.28 -0.18 5.21 0.00 -0.38 -1.39 121.76 123.54 3giv s ALA 199 Ca -0.13 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 3giv s ALA 199 Cb -0.07 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3giv s ALA 199 CO -0.01 -0.11 0.54 0.99 0.00 0.00 0.00 175.76 177.17 3giv s THR 200 N -1.41 5.10 -0.21 0.00 2.01 0.13 -0.65 115.64 120.62 3giv s THR 200 Ca -0.14 1.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.80 3giv s THR 200 Cb -0.10 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3giv s THR 200 CO -0.00 0.19 0.09 -0.76 -0.69 0.00 0.00 174.62 173.45 3giv s LEU 201 N 1.47 3.85 -0.12 4.42 1.43 -0.17 -1.41 118.68 128.14 3giv s LEU 201 Ca 0.26 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3giv s LEU 201 Cb -0.16 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.08 3giv s LEU 201 CO 0.10 0.12 -0.17 -0.60 0.23 0.00 0.00 176.35 176.03 3giv s ARG 202 N 0.71 2.46 -0.27 1.70 3.52 -0.60 -0.93 118.95 125.54 3giv s ARG 202 Ca 0.05 -0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 54.89 3giv s ARG 202 Cb -0.13 -2.08 -0.05 0.00 -1.56 0.00 0.00 34.95 31.13 3giv s ARG 202 CO 0.02 -0.08 0.19 0.00 -0.81 0.00 0.00 175.30 174.62 3giv s TRP 204 N 1.55 3.07 -0.13 0.00 0.52 0.21 -1.86 118.94 122.30 3giv s TRP 204 Ca 0.08 0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.24 3giv s TRP 204 Cb -0.15 -1.82 0.01 0.00 -1.15 0.00 0.00 33.47 30.36 3giv s TRP 204 CO 0.09 0.30 -0.19 0.00 0.02 0.00 0.00 176.95 177.16 3giv s ALA 205 N -0.51 2.05 0.06 0.98 0.00 -0.18 -2.48 121.76 121.68 3giv s ALA 205 Ca 0.08 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.12 3giv s ALA 205 Cb -0.12 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 3giv s ALA 205 CO 0.02 -0.05 -0.12 -0.51 0.00 0.00 0.00 175.76 175.10 3giv s LEU 206 N 0.89 2.27 -1.47 0.00 1.43 -0.43 -1.61 118.68 119.77 3giv s LEU 206 Ca -0.07 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.37 3giv s LEU 206 Cb -0.15 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.70 3giv s LEU 206 CO -0.02 -0.13 0.85 -0.24 0.23 0.00 0.00 176.35 177.04 3giv n SER 207 N 1.33 -6.24 -4.88 2.29 2.88 -0.78 -1.36 113.62 106.86 3giv n SER 207 Ca -0.22 -0.39 -0.24 0.00 -1.33 0.00 0.00 58.87 56.69 3giv n SER 207 Cb 0.54 -4.98 -0.04 0.00 -0.75 0.00 0.00 64.21 58.99 3giv n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3giv s PHE 208 N -3.24 3.28 -0.23 0.66 -0.71 -1.10 -4.71 117.98 111.93 3giv s PHE 208 Ca 0.42 -0.02 -0.18 0.00 -1.04 0.00 0.00 56.93 56.12 3giv s PHE 208 Cb -0.19 -1.53 0.06 0.00 -1.21 0.00 0.00 43.02 40.16 3giv s PHE 208 CO 0.52 0.50 0.60 -0.47 -1.34 0.00 0.00 175.22 175.04 3giv s TYR 209 N -1.91 -0.77 1.06 3.49 5.04 -0.64 -1.04 117.35 122.58 3giv s TYR 209 Ca 0.33 1.72 -0.18 0.00 -2.44 0.00 0.00 57.07 56.50 3giv s TYR 209 Cb -0.09 0.34 0.25 0.00 0.35 0.00 0.00 41.96 42.81 3giv s TYR 209 CO 0.26 -0.38 1.18 -0.35 -1.34 0.00 0.00 175.55 174.92 3giv n PRO 210 N 3.39 -2.11 0.04 4.97 -0.04 -1.26 -0.43 135.00 139.55 3giv n PRO 210 Ca -0.17 -1.85 -0.02 0.00 -0.04 0.00 0.00 63.50 61.42 3giv n PRO 210 Cb 0.57 -1.45 0.26 0.00 -0.04 0.00 0.00 33.50 32.83 3giv n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3giv h ALA 211 N -2.23 1.23 -1.76 0.55 0.00 -1.95 -3.44 119.26 111.65 3giv h ALA 211 Ca -0.41 -0.29 -0.68 0.00 0.00 0.00 0.00 54.91 53.52 3giv h ALA 211 Cb 1.18 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.87 3giv h ALA 211 CO 0.28 0.50 0.92 -1.91 0.00 0.00 0.00 179.25 179.04 3giv n GLU 212 N -4.17 1.56 -3.57 0.00 4.07 -1.26 -4.95 120.64 112.32 3giv n GLU 212 Ca -0.00 0.57 -0.14 0.00 -0.06 0.00 0.00 57.16 57.53 3giv n GLU 212 Cb 0.35 -2.31 -0.05 0.00 -0.06 0.00 0.00 31.44 29.37 3giv n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3giv s ILE 213 N 3.29 0.03 -0.04 6.31 2.07 -1.26 -4.63 121.20 126.97 3giv s ILE 213 Ca 0.94 -0.25 0.02 0.00 -1.41 0.00 0.00 60.65 59.96 3giv s ILE 213 Cb -0.91 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 40.70 3giv s ILE 213 CO 0.58 -0.14 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.48 3giv s THR 214 N -2.61 0.90 -0.07 4.00 2.01 -0.84 -5.01 115.64 114.02 3giv s THR 214 Ca -0.04 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 3giv s THR 214 Cb -0.00 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.72 3giv s THR 214 CO -0.03 0.29 0.08 -0.22 -0.69 0.00 0.00 174.62 174.05 3giv s LEU 215 N 0.45 0.14 0.04 4.42 2.96 -1.26 -1.19 118.68 124.24 3giv s LEU 215 Ca -0.08 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3giv s LEU 215 Cb -0.12 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 3giv s LEU 215 CO 0.02 -0.26 -0.03 0.42 -1.32 0.00 0.00 176.35 175.18 3giv s THR 216 N 2.18 0.19 -0.06 3.68 -4.23 -0.60 -4.96 115.64 111.84 3giv s THR 216 Ca 0.04 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 3giv s THR 216 Cb -0.13 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 3giv s THR 216 CO -0.04 -0.86 -0.12 0.26 -0.54 0.00 0.00 174.62 173.32 3giv s TRP 217 N -3.23 2.77 0.14 3.99 0.52 -1.26 -0.18 118.94 121.68 3giv s TRP 217 Ca 0.01 -0.14 0.11 0.00 0.02 0.00 0.00 56.10 56.10 3giv s TRP 217 Cb 0.03 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.65 3giv s TRP 217 CO -0.07 0.20 -0.26 -0.65 0.02 0.00 0.00 176.95 176.18 3giv s GLN 218 N -0.69 1.40 -0.19 4.98 -0.21 0.52 -1.88 119.66 123.60 3giv s GLN 218 Ca 0.10 -1.36 -0.00 0.00 0.02 0.00 0.00 55.36 54.12 3giv s GLN 218 Cb -0.11 -1.86 0.01 0.00 1.00 0.00 0.00 33.01 32.05 3giv s GLN 218 CO 0.01 0.44 -0.15 0.50 -2.12 0.00 0.00 175.29 173.97 3giv s ARG 219 N -2.12 3.11 -1.72 2.91 3.52 -0.53 -0.81 118.95 123.30 3giv s ARG 219 Ca 0.14 -0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 54.81 3giv s ARG 219 Cb -0.10 -2.71 0.15 0.00 -1.56 0.00 0.00 34.95 30.74 3giv s ARG 219 CO 0.06 -0.20 0.60 -0.25 -0.81 0.00 0.00 175.30 174.70 3giv n ASP 220 N 4.66 -2.05 0.00 -2.12 8.00 -0.15 -1.62 116.55 123.27 3giv n ASP 220 Ca -0.20 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.18 3giv n ASP 220 Cb 0.50 -2.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.35 3giv n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3giv n GLY 221 N -1.47 1.79 3.73 0.44 0.00 -1.26 -5.02 105.19 103.41 3giv n GLY 221 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3giv n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3giv s GLU 222 N -0.05 4.22 0.38 1.61 0.41 -0.64 -4.98 118.70 119.66 3giv s GLU 222 Ca 0.00 0.08 -0.27 0.00 -0.41 0.00 0.00 54.97 54.37 3giv s GLU 222 Cb 0.00 -3.41 -0.10 0.00 -1.78 0.00 0.00 34.13 28.84 3giv s GLU 222 CO 0.00 0.27 1.42 -0.51 -0.49 0.00 0.00 175.26 175.94 3giv s ASP 223 N 0.38 6.35 -0.41 -0.19 1.01 -1.26 -1.46 116.67 121.09 3giv s ASP 223 Ca 0.16 2.90 0.05 0.00 0.71 0.00 0.00 52.55 56.37 3giv s ASP 223 Cb -0.13 -2.66 0.47 0.00 1.01 0.00 0.00 42.92 41.62 3giv s ASP 223 CO 0.04 -0.85 1.53 0.00 0.21 0.00 0.00 175.17 176.09 3giv n GLN 224 N 0.37 2.85 -0.12 8.23 1.13 -0.79 -4.84 117.38 124.21 3giv n GLN 224 Ca 0.02 -3.63 -0.06 0.00 -1.94 0.00 0.00 57.00 51.39 3giv n GLN 224 Cb 0.41 -2.16 0.01 0.00 0.11 0.00 0.00 30.24 28.60 3giv n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3giv h THR 225 N 1.50 0.36 0.00 5.09 2.02 -1.92 -0.74 112.91 119.21 3giv h THR 225 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.59 3giv h THR 225 Cb 1.39 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3giv h THR 225 CO 0.92 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.81 3giv n GLN 226 N -5.39 0.06 -0.21 6.66 6.02 -1.26 -3.03 117.38 120.22 3giv n GLN 226 Ca 0.02 0.25 0.09 0.00 -0.01 0.00 0.00 57.00 57.35 3giv n GLN 226 Cb 0.31 -1.60 0.15 0.00 1.02 0.00 0.00 30.24 30.11 3giv n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3giv n ASP 227 N -1.71 2.12 -4.34 1.08 9.92 -0.33 -5.01 116.55 118.29 3giv n ASP 227 Ca 0.04 -3.21 -0.32 0.00 -0.53 0.00 0.00 54.79 50.76 3giv n ASP 227 Cb 0.22 -0.44 -0.15 0.00 -0.64 0.00 0.00 41.12 40.11 3giv n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3giv s THR 228 N -2.83 2.55 -0.38 -3.53 2.01 -0.93 -4.59 115.64 107.94 3giv s THR 228 Ca 0.32 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.23 3giv s THR 228 Cb 0.29 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.82 3giv s THR 228 CO 0.01 0.56 0.69 -0.70 -0.69 0.00 0.00 174.62 174.49 3giv s GLU 229 N -0.11 3.62 -0.19 4.92 2.12 -0.19 -4.93 118.70 123.94 3giv s GLU 229 Ca -0.04 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.36 3giv s GLU 229 Cb -0.14 -3.84 0.03 0.00 0.26 0.00 0.00 34.13 30.44 3giv s GLU 229 CO 0.04 -0.84 -0.15 -1.17 -0.54 0.00 0.00 175.26 172.59 3giv s LEU 230 N 2.89 2.35 0.33 2.70 2.96 -1.26 -0.49 118.68 128.17 3giv s LEU 230 Ca 0.27 -0.82 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 3giv s LEU 230 Cb -0.14 -1.40 -0.07 0.00 0.50 0.00 0.00 46.19 45.08 3giv s LEU 230 CO 0.17 -0.07 0.70 0.68 -1.32 0.00 0.00 176.35 176.50 3giv s VAL 231 N 1.30 4.79 0.35 1.68 -7.23 -0.91 -5.04 120.40 115.34 3giv s VAL 231 Ca 0.01 0.68 -0.29 0.00 -1.81 0.00 0.00 61.98 60.57 3giv s VAL 231 Cb -0.15 -3.66 -0.11 0.00 0.56 0.00 0.00 36.38 33.01 3giv s VAL 231 CO -0.10 -0.30 1.51 1.21 -0.31 0.00 0.00 175.10 177.11 3giv n GLU 232 N -0.71 2.66 -1.65 4.82 2.13 -1.26 -4.63 120.64 121.99 3giv n GLU 232 Ca 0.02 0.93 -0.47 0.00 0.66 0.00 0.00 57.16 58.30 3giv n GLU 232 Cb 0.53 -2.67 -0.05 0.00 0.27 0.00 0.00 31.44 29.52 3giv n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3giv n THR 233 N 0.91 0.01 -4.29 6.31 -1.04 -1.26 -4.84 114.28 110.08 3giv n THR 233 Ca 0.03 -0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.86 3giv n THR 233 Cb 0.38 -1.38 -0.13 0.00 -1.82 0.00 0.00 70.33 67.38 3giv n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3giv s ARG 234 N 0.89 0.82 0.25 -2.82 1.70 -0.53 -4.97 118.95 114.29 3giv s ARG 234 Ca 0.80 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 55.07 3giv s ARG 234 Cb -0.74 -0.79 -0.09 0.00 -0.57 0.00 0.00 34.95 32.76 3giv s ARG 234 CO 0.40 0.19 1.09 -1.25 -1.08 0.00 0.00 175.30 174.66 3giv s PRO 235 N -1.10 4.64 0.39 3.89 0.04 -1.26 -0.89 135.00 140.72 3giv s PRO 235 Ca -0.00 1.76 0.21 0.00 0.04 0.00 0.00 61.00 63.01 3giv s PRO 235 Cb -0.08 -3.22 0.36 0.00 0.04 0.00 0.00 34.50 31.61 3giv s PRO 235 CO 0.01 0.19 1.60 0.00 0.04 0.00 0.00 177.00 178.84 3giv h ALA 236 N 4.20 0.89 0.00 8.56 0.00 -1.39 -3.47 119.26 128.06 3giv h ALA 236 Ca -0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3giv h ALA 236 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3giv h ALA 236 CO 0.69 0.23 0.00 0.41 0.00 0.00 0.00 179.25 180.57 3giv n GLY 237 N 1.00 0.08 0.94 0.00 0.00 -1.26 -4.93 105.19 101.02 3giv n GLY 237 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 3giv n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3giv n ASP 238 N 0.00 3.74 0.00 1.61 5.75 -1.26 -4.94 116.55 121.44 3giv n ASP 238 Ca 0.00 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 3giv n ASP 238 Cb 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 3giv n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3giv n GLY 239 N 0.15 0.77 3.81 6.12 0.00 -1.26 -5.07 105.19 109.71 3giv n GLY 239 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3giv n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3giv s THR 240 N -2.61 2.34 0.21 2.61 -4.23 -1.26 -4.87 115.64 107.84 3giv s THR 240 Ca 0.00 -1.55 0.08 0.00 -1.18 0.00 0.00 61.69 59.04 3giv s THR 240 Cb 0.00 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.90 3giv s THR 240 CO 0.00 0.00 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.57 3giv s PHE 241 N -2.58 1.75 0.08 3.99 0.40 -0.20 -0.99 117.98 120.43 3giv s PHE 241 Ca 0.42 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 3giv s PHE 241 Cb 0.01 -0.81 -0.03 0.00 0.51 0.00 0.00 43.02 42.70 3giv s PHE 241 CO 0.24 0.38 -0.11 -0.65 0.70 0.00 0.00 175.22 175.79 3giv s GLN 242 N -3.62 0.80 -0.07 0.44 -0.21 -0.07 -1.86 119.66 115.06 3giv s GLN 242 Ca 0.23 -1.06 -0.29 0.00 0.02 0.00 0.00 55.36 54.26 3giv s GLN 242 Cb -0.01 -0.56 0.06 0.00 1.00 0.00 0.00 33.01 33.51 3giv s GLN 242 CO 0.07 0.10 0.64 0.21 -2.12 0.00 0.00 175.29 174.19 3giv s LYS 243 N -2.41 0.99 0.08 2.91 2.20 -0.63 -1.45 119.74 121.44 3giv s LYS 243 Ca 0.02 0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.91 3giv s LYS 243 Cb -0.05 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 3giv s LYS 243 CO 0.01 -0.29 0.01 1.67 -0.36 0.00 0.00 175.35 176.39 3giv s TRP 244 N -1.03 0.66 -0.03 4.03 1.48 -1.26 -1.01 118.94 121.77 3giv s TRP 244 Ca -0.10 -1.13 0.01 0.00 -1.06 0.00 0.00 56.10 53.82 3giv s TRP 244 Cb -0.01 -0.42 0.02 0.00 -1.16 0.00 0.00 33.47 31.90 3giv s TRP 244 CO 0.08 -0.44 -0.02 0.00 -4.06 0.00 0.00 176.95 172.51 3giv s ALA 245 N -3.97 0.45 0.07 2.67 0.00 -0.78 -2.15 121.76 118.06 3giv s ALA 245 Ca 0.14 0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.24 3giv s ALA 245 Cb 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3giv s ALA 245 CO -0.05 -0.02 -0.24 0.00 0.00 0.00 0.00 175.76 175.45 3giv s ALA 246 N 0.83 2.02 0.07 0.00 0.00 0.36 -0.74 121.76 124.30 3giv s ALA 246 Ca -0.09 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 50.70 3giv s ALA 246 Cb -0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3giv s ALA 246 CO -0.01 0.46 -0.19 0.14 0.00 0.00 0.00 175.76 176.16 3giv s VAL 247 N -0.92 1.51 -0.30 0.00 -7.23 -0.11 -1.02 120.40 112.33 3giv s VAL 247 Ca 0.10 -1.30 -0.11 0.00 -1.81 0.00 0.00 61.98 58.86 3giv s VAL 247 Cb -0.10 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 3giv s VAL 247 CO 0.03 0.02 0.20 -0.69 -0.31 0.00 0.00 175.10 174.35 3giv s VAL 248 N -1.00 5.22 -0.06 1.32 1.01 -1.26 -1.00 120.40 124.63 3giv s VAL 248 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3giv s VAL 248 Cb -0.09 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3giv s VAL 248 CO 0.03 0.15 -0.16 0.68 0.00 0.00 0.00 175.10 175.79 3giv s VAL 249 N 1.73 2.91 0.36 2.92 -7.23 0.18 -4.95 120.40 116.32 3giv s VAL 249 Ca 0.06 -0.77 -0.27 0.00 -1.81 0.00 0.00 61.98 59.20 3giv s VAL 249 Cb -0.17 -2.14 -0.09 0.00 0.56 0.00 0.00 36.38 34.54 3giv s VAL 249 CO 0.10 0.58 1.23 -2.84 -0.31 0.00 0.00 175.10 173.86 3giv s PRO 250 N -0.50 4.20 0.33 4.82 0.02 -1.26 -1.25 135.00 141.36 3giv s PRO 250 Ca 0.06 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 3giv s PRO 250 Cb -0.12 -2.88 -0.11 0.00 0.02 0.00 0.00 34.50 31.41 3giv s PRO 250 CO 0.01 -0.25 1.56 0.43 -0.33 0.00 0.00 177.00 178.43 3giv n SER 251 N 0.45 3.90 0.00 2.53 7.64 -0.25 -1.48 113.62 126.41 3giv n SER 251 Ca 0.02 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3giv n SER 251 Cb 0.44 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 3giv n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3giv n GLY 252 N 1.45 1.13 1.14 0.23 0.00 -1.26 -4.91 105.19 102.97 3giv n GLY 252 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3giv n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3giv n GLN 253 N -2.00 2.52 -0.24 1.61 6.02 -0.55 -4.66 117.38 120.09 3giv n GLN 253 Ca 0.00 -2.34 0.04 0.00 -0.01 0.00 0.00 57.00 54.69 3giv n GLN 253 Cb 0.00 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 29.93 3giv n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3giv h GLU 254 N 4.13 0.33 0.00 -1.09 3.07 -1.91 -1.70 114.58 117.41 3giv h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3giv h GLU 254 Cb 0.95 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 3giv h GLU 254 CO 0.00 0.22 0.00 0.00 -1.40 0.00 0.00 179.01 177.83 3giv n GLN 255 N -5.08 0.07 0.26 2.33 10.64 -1.26 -2.16 117.38 122.18 3giv n GLN 255 Ca 0.13 0.33 0.15 0.00 -1.83 0.00 0.00 57.00 55.78 3giv n GLN 255 Cb 0.41 -1.64 0.51 0.00 -0.86 0.00 0.00 30.24 28.66 3giv n GLN 255 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3giv h ARG 256 N 0.00 0.00 -5.63 2.61 3.08 -1.66 -3.46 114.38 109.32 3giv h ARG 256 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3giv h ARG 256 Cb 0.28 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.15 3giv h ARG 256 CO 0.00 0.02 -0.63 0.71 -1.07 0.00 0.00 179.97 178.99 3giv s TYR 257 N -3.52 3.11 0.01 3.04 1.51 -0.92 -0.98 117.35 119.61 3giv s TYR 257 Ca 0.03 -0.01 0.07 0.00 -1.01 0.00 0.00 57.07 56.14 3giv s TYR 257 Cb 0.08 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 3giv s TYR 257 CO 0.59 0.23 -0.21 0.95 -1.11 0.00 0.00 175.55 176.00 3giv s THR 258 N -0.23 1.64 -0.11 -0.71 -4.23 0.01 -4.39 115.64 107.62 3giv s THR 258 Ca 0.05 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 3giv s THR 258 Cb -0.12 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 3giv s THR 258 CO 0.02 0.33 0.05 0.00 -0.54 0.00 0.00 174.62 174.48 3giv s HIS 260 N -0.78 2.07 -0.11 0.00 3.76 0.75 -0.56 115.29 120.42 3giv s HIS 260 Ca 0.12 -0.76 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 3giv s HIS 260 Cb -0.12 -1.41 0.01 0.00 1.11 0.00 0.00 32.58 32.17 3giv s HIS 260 CO 0.03 -0.31 -0.17 0.08 -0.85 0.00 0.00 174.74 173.52 3giv s VAL 261 N 0.32 1.61 -0.09 -0.90 1.01 -0.70 -1.56 120.40 120.08 3giv s VAL 261 Ca -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3giv s VAL 261 Cb -0.16 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3giv s VAL 261 CO 0.06 0.46 -0.16 -1.10 0.00 0.00 0.00 175.10 174.36 3giv s GLN 262 N 0.87 2.19 -0.17 2.72 -0.21 -0.33 -1.08 119.66 123.65 3giv s GLN 262 Ca -0.09 -0.57 -0.21 0.00 0.02 0.00 0.00 55.36 54.52 3giv s GLN 262 Cb -0.15 -1.81 0.05 0.00 1.00 0.00 0.00 33.01 32.10 3giv s GLN 262 CO -0.00 0.00 0.56 -1.58 -2.12 0.00 0.00 175.29 172.15 3giv s HIS 263 N 0.79 -0.58 0.41 0.91 2.46 -1.26 -1.98 115.29 116.04 3giv s HIS 263 Ca -0.11 1.34 0.26 0.00 0.47 0.00 0.00 55.06 57.01 3giv s HIS 263 Cb -0.16 0.23 1.34 0.00 -0.13 0.00 0.00 32.58 33.87 3giv s HIS 263 CO 0.02 -0.36 1.64 1.49 -2.47 0.00 0.00 174.74 175.06 3giv h GLU 264 N 4.75 0.13 0.00 2.88 4.81 -1.95 0.48 114.58 125.68 3giv h GLU 264 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3giv h GLU 264 Cb 1.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3giv h GLU 264 CO 0.21 0.09 0.00 0.41 -0.73 0.00 0.00 179.01 178.99 3giv n GLY 265 N -1.46 -1.16 3.46 1.92 0.00 -1.26 -4.68 105.19 102.01 3giv n GLY 265 Ca 0.35 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3giv n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3giv s LEU 266 N -2.34 3.76 0.38 0.99 1.43 0.16 -4.60 118.68 118.46 3giv s LEU 266 Ca 0.36 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 3giv s LEU 266 Cb 0.21 -1.98 0.76 0.00 0.03 0.00 0.00 46.19 45.21 3giv s LEU 266 CO 0.42 -0.10 1.98 1.55 0.23 0.00 0.00 176.35 180.43 3giv h PRO 267 N 8.30 0.51 -5.59 1.29 0.13 -1.84 -3.42 132.00 131.38 3giv h PRO 267 Ca -0.36 -0.06 -0.47 0.00 -0.87 0.00 0.00 66.00 64.24 3giv h PRO 267 Cb 1.17 -0.10 -0.23 0.00 0.13 0.00 0.00 31.00 31.97 3giv h PRO 267 CO 0.59 0.43 -0.80 0.15 -0.23 0.00 0.00 178.00 178.14 3giv s LYS 268 N -5.24 0.98 0.48 0.86 3.01 -1.26 -5.14 119.74 113.44 3giv s LYS 268 Ca -0.08 -0.93 -0.23 0.00 -1.01 0.00 0.00 55.97 53.72 3giv s LYS 268 Cb 0.17 -1.06 -0.07 0.00 -1.01 0.00 0.00 37.83 35.86 3giv s LYS 268 CO 0.74 0.25 1.23 -2.14 0.51 0.00 0.00 175.35 175.95 3giv s PRO 269 N -1.51 3.61 0.21 -1.68 0.02 -1.26 -4.97 135.00 129.42 3giv s PRO 269 Ca 0.02 1.94 -0.10 0.00 0.02 0.00 0.00 61.00 62.88 3giv s PRO 269 Cb -0.09 -2.40 -0.07 0.00 0.02 0.00 0.00 34.50 31.95 3giv s PRO 269 CO 0.02 -0.72 0.54 -0.51 -0.33 0.00 0.00 177.00 176.00 3giv s LEU 270 N -3.10 4.21 -0.14 -5.54 1.43 -0.24 -4.91 118.68 110.39 3giv s LEU 270 Ca 0.65 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 3giv s LEU 270 Cb -0.33 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.34 3giv s LEU 270 CO 0.40 -0.03 -0.20 -0.89 0.23 0.00 0.00 176.35 175.86 3giv s THR 271 N -1.73 1.94 -0.08 5.49 2.01 -1.26 -1.73 115.64 120.28 3giv s THR 271 Ca 0.45 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.58 3giv s THR 271 Cb -0.12 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 3giv s THR 271 CO 0.21 0.53 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.71 3giv s LEU 272 N 0.92 2.40 -0.02 4.42 1.02 0.28 -4.96 118.68 122.74 3giv s LEU 272 Ca -0.05 -0.40 0.02 0.00 0.02 0.00 0.00 54.13 53.72 3giv s LEU 272 Cb -0.15 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.58 3giv s LEU 272 CO -0.03 0.23 -0.08 -0.60 0.02 0.00 0.00 176.35 175.89 3giv s ARG 273 N -0.07 0.80 -0.51 1.70 3.52 -1.26 0.08 118.95 123.21 3giv s ARG 273 Ca -0.05 -0.27 -0.27 0.00 -0.13 0.00 0.00 55.73 55.01 3giv s ARG 273 Cb -0.14 -0.77 -0.02 0.00 -1.56 0.00 0.00 34.95 32.46 3giv s ARG 273 CO 0.04 0.12 1.87 -0.46 -0.81 0.00 0.00 175.30 176.06 3giv s TRP 274 N 0.10 1.68 0.00 5.12 -0.11 -1.26 -5.07 118.94 119.39 3giv s TRP 274 Ca -0.01 0.80 0.00 0.00 1.22 0.00 0.00 56.10 58.10 3giv s TRP 274 Cb -0.07 -4.07 0.00 0.00 -1.50 0.00 0.00 33.47 27.84 3giv s TRP 274 CO 0.00 -2.51 0.00 0.39 -4.62 0.00 0.00 176.95 170.21