#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n77 s VAL 2 N 0.00 1.78 -0.12 3.17 1.01 -1.26 -4.93 120.40 120.05 1n77 s VAL 2 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1n77 s VAL 2 Cb 0.00 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1n77 s VAL 2 CO 0.00 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 174.83 1n77 s VAL 3 N 0.49 1.05 0.47 2.92 1.01 -1.26 -0.58 120.40 124.50 1n77 s VAL 3 Ca -0.16 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1n77 s VAL 3 Cb -0.17 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1n77 s VAL 3 CO 0.06 0.37 0.09 0.42 0.00 0.00 0.00 175.10 176.04 1n77 s THR 4 N 1.70 1.68 0.21 3.92 -4.23 0.43 -1.57 115.64 117.79 1n77 s THR 4 Ca 0.05 -1.88 -0.23 0.00 -1.18 0.00 0.00 61.69 58.45 1n77 s THR 4 Cb -0.13 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.20 1n77 s THR 4 CO -0.08 0.00 0.79 0.00 -0.54 0.00 0.00 174.62 174.79 1n77 s ARG 5 N -3.89 1.48 -0.02 3.99 1.04 -1.26 -0.09 118.95 120.20 1n77 s ARG 5 Ca 0.24 -0.78 0.04 0.00 -1.04 0.00 0.00 55.73 54.20 1n77 s ARG 5 Cb 0.04 0.53 -0.01 0.00 -2.04 0.00 0.00 34.95 33.47 1n77 s ARG 5 CO 0.13 -0.67 -0.15 0.96 -0.04 0.00 0.00 175.30 175.53 1n77 s ILE 6 N -3.65 1.22 -0.64 4.99 -4.36 -0.42 -4.75 121.20 113.59 1n77 s ILE 6 Ca 0.10 -0.65 0.06 0.00 -0.26 0.00 0.00 60.65 59.90 1n77 s ILE 6 Cb -0.04 -1.03 0.26 0.00 1.25 0.00 0.00 42.46 42.91 1n77 s ILE 6 CO 0.02 0.35 0.80 0.00 0.24 0.00 0.00 174.94 176.35 1n77 n ALA 7 N 2.83 4.20 -1.75 2.27 0.00 -1.26 -1.56 120.51 125.25 1n77 n ALA 7 Ca -0.15 -4.77 -0.38 0.00 0.00 0.00 0.00 53.44 48.14 1n77 n ALA 7 Cb 0.54 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 19.11 1n77 n ALA 7 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1n77 s PRO 8 N -2.65 3.20 -0.21 0.00 0.02 -1.18 -4.53 135.00 129.65 1n77 s PRO 8 Ca 0.41 2.13 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 1n77 s PRO 8 Cb 0.17 -2.24 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1n77 s PRO 8 CO -0.03 -1.11 -0.02 0.45 -0.33 0.00 0.00 177.00 175.97 1n77 s SER 9 N -1.08 4.55 -1.31 2.53 0.15 -1.26 0.38 113.70 117.66 1n77 s SER 9 Ca 0.71 -0.31 -0.18 0.00 0.70 0.00 0.00 55.95 56.88 1n77 s SER 9 Cb -0.38 -1.78 0.04 0.00 -1.71 0.00 0.00 66.02 62.19 1n77 s SER 9 CO 0.44 0.01 1.89 -0.81 1.20 0.00 0.00 173.24 175.98 1n77 n PRO 10 N 4.61 2.90 -1.69 5.44 -0.04 -1.26 -4.57 135.00 140.38 1n77 n PRO 10 Ca -0.18 -2.97 0.02 0.00 -0.04 0.00 0.00 63.50 60.33 1n77 n PRO 10 Cb 0.51 -3.44 0.06 0.00 -0.04 0.00 0.00 33.50 30.59 1n77 n PRO 10 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1n77 n THR 11 N 6.16 0.77 -2.66 0.52 -2.24 -1.26 -1.90 114.28 113.66 1n77 n THR 11 Ca 0.49 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 1n77 n THR 11 Cb 0.44 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1n77 n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n77 n GLY 12 N -0.06 -1.38 3.71 3.38 0.00 -1.26 -4.79 105.19 104.78 1n77 n GLY 12 Ca 0.10 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 1n77 n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n77 s ASP 13 N -3.07 3.44 0.05 1.61 1.01 -1.26 -4.85 116.67 113.59 1n77 s ASP 13 Ca 0.00 2.07 -0.30 0.00 0.71 0.00 0.00 52.55 55.02 1n77 s ASP 13 Cb 0.00 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 1n77 s ASP 13 CO 0.00 -2.76 1.84 -2.84 0.21 0.00 0.00 175.17 171.62 1n77 s PRO 14 N -4.74 4.15 -0.09 8.23 0.02 -1.26 -4.91 135.00 136.40 1n77 s PRO 14 Ca 0.65 2.50 -0.17 0.00 0.02 0.00 0.00 61.00 64.00 1n77 s PRO 14 Cb -0.21 -3.91 -0.05 0.00 0.02 0.00 0.00 34.50 30.36 1n77 s PRO 14 CO 0.57 -0.88 0.45 -1.58 -0.33 0.00 0.00 177.00 175.23 1n77 s HIS 15 N 3.68 3.56 0.55 6.54 2.46 -1.26 -0.40 115.29 130.42 1n77 s HIS 15 Ca 0.82 0.89 0.22 0.00 0.47 0.00 0.00 55.06 57.46 1n77 s HIS 15 Cb -0.42 -2.48 1.45 0.00 -0.13 0.00 0.00 32.58 31.01 1n77 s HIS 15 CO 0.37 0.28 2.12 -0.24 -2.47 0.00 0.00 174.74 174.80 1n77 h VAL 16 N 4.49 0.77 -0.44 0.89 3.04 -1.27 0.83 116.25 124.56 1n77 h VAL 16 Ca -0.43 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.20 1n77 h VAL 16 Cb 1.19 0.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.36 1n77 h VAL 16 CO 0.73 0.00 0.05 1.23 -1.01 0.00 0.00 177.57 178.56 1n77 h GLY 17 N 0.00 0.73 0.92 3.17 0.00 -1.93 -0.58 103.07 105.38 1n77 h GLY 17 Ca 0.07 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1n77 h GLY 17 CO -0.00 0.41 -0.03 -0.84 0.00 0.00 0.00 176.54 176.08 1n77 h THR 18 N 0.65 1.27 -0.65 4.70 2.02 -1.25 -1.12 112.91 118.53 1n77 h THR 18 Ca 0.14 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1n77 h THR 18 Cb 0.34 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1n77 h THR 18 CO 0.01 0.34 0.42 0.00 0.37 0.00 0.00 175.52 176.66 1n77 h ALA 19 N 0.84 0.83 0.27 6.16 0.00 -1.08 0.21 119.26 126.49 1n77 h ALA 19 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1n77 h ALA 19 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1n77 h ALA 19 CO 0.02 0.27 -0.19 -0.92 0.00 0.00 0.00 179.25 178.43 1n77 h TYR 20 N 0.88 -0.49 -0.58 0.00 3.20 -0.92 0.28 116.97 119.34 1n77 h TYR 20 Ca 0.24 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1n77 h TYR 20 Cb -0.08 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1n77 h TYR 20 CO -0.03 -0.29 0.16 0.82 -1.64 0.00 0.00 178.16 177.18 1n77 h ILE 21 N -0.45 1.23 -0.77 1.81 1.08 -0.92 -2.44 117.51 117.04 1n77 h ILE 21 Ca -0.02 -0.82 -0.05 0.00 -0.39 0.00 0.00 64.86 63.57 1n77 h ILE 21 Cb 0.39 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 1n77 h ILE 21 CO 0.01 0.31 0.27 0.00 -0.69 0.00 0.00 178.15 178.06 1n77 h ALA 22 N 1.31 1.00 -0.60 1.87 0.00 -0.18 -2.14 119.26 120.52 1n77 h ALA 22 Ca 0.19 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1n77 h ALA 22 Cb 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1n77 h ALA 22 CO -0.00 0.66 0.25 1.25 0.00 0.00 0.00 179.25 181.41 1n77 h LEU 23 N 1.13 0.30 -0.45 0.00 5.85 0.03 0.92 115.31 123.09 1n77 h LEU 23 Ca 0.25 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.87 1n77 h LEU 23 Cb 0.26 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1n77 h LEU 23 CO -0.01 0.19 -0.78 -0.26 -0.34 0.00 0.00 178.44 177.24 1n77 h PHE 24 N 0.46 0.09 -0.21 1.25 -1.00 -1.30 -2.00 116.94 114.23 1n77 h PHE 24 Ca 0.29 -0.05 -0.21 0.00 2.81 0.00 0.00 57.97 60.82 1n77 h PHE 24 Cb 0.31 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 39.87 1n77 h PHE 24 CO -0.14 0.81 -0.68 -0.91 -1.61 0.00 0.00 178.31 175.78 1n77 h ASN 25 N 0.04 0.94 0.02 2.17 2.35 -0.93 -2.11 115.58 118.06 1n77 h ASN 25 Ca -0.02 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1n77 h ASN 25 Cb 1.36 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 1n77 h ASN 25 CO 0.11 1.37 -0.02 0.22 -1.65 0.00 0.00 177.43 177.46 1n77 h TYR 26 N 0.59 -0.05 -0.26 1.19 5.03 -0.79 -2.36 116.97 120.33 1n77 h TYR 26 Ca -0.02 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1n77 h TYR 26 Cb 1.30 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.58 1n77 h TYR 26 CO 0.08 -0.03 0.15 0.00 -1.32 0.00 0.00 178.16 177.04 1n77 h ALA 27 N 0.94 0.33 -0.86 1.82 0.00 -1.37 -1.36 119.26 118.77 1n77 h ALA 27 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1n77 h ALA 27 Cb 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1n77 h ALA 27 CO -0.01 -0.14 0.57 2.35 0.00 0.00 0.00 179.25 182.02 1n77 h TRP 28 N 0.31 1.04 0.06 0.00 -0.00 -1.31 0.30 115.95 116.36 1n77 h TRP 28 Ca 0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.01 1n77 h TRP 28 Cb 0.05 -0.35 0.00 0.00 -0.00 0.00 0.00 29.16 28.86 1n77 h TRP 28 CO -0.04 0.62 -0.03 0.00 -0.00 0.00 0.00 178.44 179.00 1n77 h ALA 29 N 1.49 -0.07 -1.00 2.65 0.00 -1.21 -2.90 119.26 118.21 1n77 h ALA 29 Ca 0.33 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1n77 h ALA 29 Cb -0.01 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1n77 h ALA 29 CO -0.09 -0.26 0.65 0.00 0.00 0.00 0.00 179.25 179.54 1n77 h ARG 30 N -0.63 1.22 -0.81 0.00 2.47 -0.85 0.28 114.38 116.06 1n77 h ARG 30 Ca -0.01 -0.07 0.05 0.00 -1.26 0.00 0.00 59.98 58.69 1n77 h ARG 30 Cb 0.54 -0.27 -0.05 0.00 -1.65 0.00 0.00 29.97 28.54 1n77 h ARG 30 CO 0.01 0.81 0.53 -0.09 0.56 0.00 0.00 179.97 181.79 1n77 h ARG 31 N 1.25 0.92 -0.63 0.04 9.65 -0.45 -1.65 114.38 123.52 1n77 h ARG 31 Ca 0.40 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 1n77 h ARG 31 Cb 0.01 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1n77 h ARG 31 CO -0.13 0.61 0.00 0.09 2.80 0.00 0.00 179.97 183.34 1n77 n ASN 32 N -4.47 5.08 -3.90 -3.80 4.13 -0.61 -4.94 115.26 106.76 1n77 n ASN 32 Ca 0.11 -2.69 -0.26 0.00 1.68 0.00 0.00 54.58 53.42 1n77 n ASN 32 Cb 0.16 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 1n77 n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n77 n GLY 33 N 0.80 -0.32 0.00 7.41 0.00 -0.59 -4.62 105.19 107.87 1n77 n GLY 33 Ca 0.25 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1n77 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n77 n GLY 34 N -1.74 5.67 3.54 -0.02 0.00 0.90 -4.78 105.19 108.76 1n77 n GLY 34 Ca -0.20 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 1n77 n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n77 s ARG 35 N 1.84 2.24 -0.26 1.61 0.52 0.26 -4.63 118.95 120.53 1n77 s ARG 35 Ca 0.00 -0.91 0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1n77 s ARG 35 Cb 0.00 -2.32 0.07 0.00 0.52 0.00 0.00 34.95 33.21 1n77 s ARG 35 CO 0.00 0.55 -0.06 0.12 0.02 0.00 0.00 175.30 175.93 1n77 s PHE 36 N -1.04 2.91 0.14 -0.53 5.99 -1.26 -0.43 117.98 123.77 1n77 s PHE 36 Ca 0.17 -2.15 -0.06 0.00 0.00 0.00 0.00 56.93 54.89 1n77 s PHE 36 Cb -0.11 -1.90 -0.06 0.00 0.00 0.00 0.00 43.02 40.95 1n77 s PHE 36 CO 0.09 -0.85 0.39 0.42 -0.00 0.00 0.00 175.22 175.27 1n77 s ILE 37 N 1.22 5.14 -0.18 3.12 -1.09 0.87 -1.40 121.20 128.88 1n77 s ILE 37 Ca -0.05 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 1n77 s ILE 37 Cb -0.19 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1n77 s ILE 37 CO -0.07 0.07 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.84 1n77 s VAL 38 N -1.63 1.98 -0.07 2.92 1.01 -0.62 -1.30 120.40 122.69 1n77 s VAL 38 Ca 0.40 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1n77 s VAL 38 Cb -0.12 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1n77 s VAL 38 CO 0.23 0.51 -0.17 -0.60 0.00 0.00 0.00 175.10 175.07 1n77 s ARG 39 N 1.32 2.17 -0.13 2.72 3.52 -0.60 -4.29 118.95 123.66 1n77 s ARG 39 Ca 0.05 -0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 54.83 1n77 s ARG 39 Cb -0.13 -1.74 -0.03 0.00 -1.56 0.00 0.00 34.95 31.49 1n77 s ARG 39 CO -0.12 0.12 0.59 0.42 -0.81 0.00 0.00 175.30 175.49 1n77 s ILE 40 N 0.44 5.09 -1.16 4.11 -1.09 -0.25 -3.10 121.20 125.24 1n77 s ILE 40 Ca -0.14 1.16 -0.10 0.00 -2.23 0.00 0.00 60.65 59.34 1n77 s ILE 40 Cb -0.16 -3.92 0.24 0.00 -1.58 0.00 0.00 42.46 37.04 1n77 s ILE 40 CO 0.05 0.23 1.33 -0.62 -1.23 0.00 0.00 174.94 174.70 1n77 n GLU 41 N 4.18 3.59 -2.64 2.79 4.71 0.16 -1.98 120.64 131.44 1n77 n GLU 41 Ca -0.04 -4.19 -0.34 0.00 -0.01 0.00 0.00 57.16 52.59 1n77 n GLU 41 Cb 0.51 -2.75 -0.00 0.00 -1.01 0.00 0.00 31.44 28.19 1n77 n GLU 41 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1n77 n ASP 42 N 3.66 5.96 -0.79 1.62 3.85 -1.26 -4.08 116.55 125.50 1n77 n ASP 42 Ca 0.30 -3.71 0.09 0.00 -0.71 0.00 0.00 54.79 50.76 1n77 n ASP 42 Cb 0.39 -0.83 0.10 0.00 -1.35 0.00 0.00 41.12 39.43 1n77 n ASP 42 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1n77 n THR 43 N -0.25 0.14 -3.60 2.12 -2.24 -1.26 -4.24 114.28 104.96 1n77 n THR 43 Ca 0.41 -0.57 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 1n77 n THR 43 Cb 0.36 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.78 1n77 n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n77 s ASP 44 N -1.47 5.71 0.28 3.42 3.68 -1.26 -4.71 116.67 122.32 1n77 s ASP 44 Ca 0.24 -2.84 0.19 0.00 2.13 0.00 0.00 52.55 52.27 1n77 s ASP 44 Cb 0.16 -1.96 1.03 0.00 -1.45 0.00 0.00 42.92 40.70 1n77 s ASP 44 CO 0.24 -0.42 1.58 -2.11 0.13 0.00 0.00 175.17 174.59 1n77 n ARG 45 N 3.58 0.12 0.08 4.34 1.85 -1.26 -2.46 116.66 122.92 1n77 n ARG 45 Ca 0.10 0.62 -0.22 0.00 -1.00 0.00 0.00 57.85 57.35 1n77 n ARG 45 Cb 0.41 -1.90 -0.15 0.00 -1.05 0.00 0.00 32.46 29.76 1n77 n ARG 45 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1n77 h ALA 46 N 2.01 -0.09 -0.18 2.89 0.00 -2.00 -3.33 119.26 118.56 1n77 h ALA 46 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1n77 h ALA 46 Cb 0.01 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n77 h ALA 46 CO 0.00 0.54 0.00 0.54 0.00 0.00 0.00 179.25 180.33 1n77 n ARG 47 N -3.96 1.98 -2.04 0.00 1.74 -1.03 -4.93 116.66 108.42 1n77 n ARG 47 Ca -0.16 -1.46 -0.43 0.00 -0.77 0.00 0.00 57.85 55.03 1n77 n ARG 47 Cb 0.93 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.90 1n77 n ARG 47 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1n77 s TYR 48 N -1.78 2.00 -0.47 -1.55 6.14 -1.05 -4.40 117.35 116.24 1n77 s TYR 48 Ca 0.34 0.39 -0.18 0.00 0.64 0.00 0.00 57.07 58.26 1n77 s TYR 48 Cb 0.20 -3.95 0.04 0.00 0.42 0.00 0.00 41.96 38.67 1n77 s TYR 48 CO 0.29 -3.40 0.53 0.08 0.64 0.00 0.00 175.55 173.69 1n77 s VAL 49 N 4.84 5.00 0.35 3.14 1.01 -0.80 -5.00 120.40 128.94 1n77 s VAL 49 Ca 0.74 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 1n77 s VAL 49 Cb -0.29 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.80 1n77 s VAL 49 CO 0.30 -0.62 1.48 -0.81 0.00 0.00 0.00 175.10 175.44 1n77 n PRO 50 N 5.84 2.57 -0.46 2.72 -0.04 -1.26 -1.88 135.00 142.50 1n77 n PRO 50 Ca -0.07 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1n77 n PRO 50 Cb 0.46 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1n77 n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n77 n GLY 51 N 0.91 0.73 0.14 0.55 0.00 -1.26 -4.94 105.19 101.32 1n77 n GLY 51 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1n77 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n77 h ALA 52 N 0.00 0.70 -0.03 4.61 0.00 -1.69 -3.29 119.26 119.55 1n77 h ALA 52 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1n77 h ALA 52 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1n77 h ALA 52 CO 0.00 0.40 -0.01 1.49 0.00 0.00 0.00 179.25 181.13 1n77 h GLU 53 N 0.00 0.06 -0.55 0.00 4.81 -1.89 -2.64 114.58 114.36 1n77 h GLU 53 Ca -0.04 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1n77 h GLU 53 Cb 1.25 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 1n77 h GLU 53 CO 0.03 0.40 0.25 0.93 -0.73 0.00 0.00 179.01 179.89 1n77 h GLU 54 N -0.29 0.45 -0.67 1.92 3.07 -1.99 -2.31 114.58 114.76 1n77 h GLU 54 Ca 0.01 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1n77 h GLU 54 Cb 0.38 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 1n77 h GLU 54 CO 0.00 0.30 0.43 0.00 -1.40 0.00 0.00 179.01 178.35 1n77 h ARG 55 N 0.47 0.84 -0.46 2.33 3.08 -1.61 -0.70 114.38 118.33 1n77 h ARG 55 Ca 0.26 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 1n77 h ARG 55 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1n77 h ARG 55 CO -0.22 0.56 -0.26 0.97 -1.07 0.00 0.00 179.97 179.95 1n77 h ILE 56 N 0.87 1.27 -0.19 2.04 6.09 -1.21 -1.77 117.51 124.62 1n77 h ILE 56 Ca 0.26 -1.43 -0.07 0.00 -1.37 0.00 0.00 64.86 62.24 1n77 h ILE 56 Cb -0.05 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 1n77 h ILE 56 CO -0.08 0.49 -0.20 -0.07 -3.07 0.00 0.00 178.15 175.22 1n77 h LEU 57 N 0.84 0.32 -0.11 2.19 3.38 -1.14 -2.21 115.31 118.58 1n77 h LEU 57 Ca 0.10 -0.09 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 1n77 h LEU 57 Cb 0.85 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1n77 h LEU 57 CO 0.07 0.54 -0.90 0.00 0.09 0.00 0.00 178.44 178.25 1n77 h ALA 58 N 1.49 0.26 -0.30 1.53 0.00 -0.98 -2.89 119.26 118.37 1n77 h ALA 58 Ca 0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 1n77 h ALA 58 Cb 0.53 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1n77 h ALA 58 CO 0.04 0.70 -0.08 0.00 0.00 0.00 0.00 179.25 179.91 1n77 h ALA 59 N 0.54 1.30 -0.39 0.00 0.00 -1.07 0.29 119.26 119.93 1n77 h ALA 59 Ca -0.08 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1n77 h ALA 59 Cb 1.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1n77 h ALA 59 CO 0.18 0.47 -0.32 -0.07 0.00 0.00 0.00 179.25 179.51 1n77 h LEU 60 N 0.46 0.91 -0.57 0.00 3.38 -1.41 -1.11 115.31 116.97 1n77 h LEU 60 Ca 0.09 -0.38 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 1n77 h LEU 60 Cb 0.43 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1n77 h LEU 60 CO 0.02 1.14 -0.60 0.11 0.09 0.00 0.00 178.44 179.20 1n77 h LYS 61 N 0.73 0.37 -0.82 1.13 1.57 -1.21 -1.97 116.57 116.36 1n77 h LYS 61 Ca 0.08 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1n77 h LYS 61 Cb 0.88 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 1n77 h LYS 61 CO 0.08 0.86 0.41 2.35 -0.57 0.00 0.00 179.45 182.58 1n77 h TRP 62 N 0.28 1.17 0.00 -1.35 7.01 -0.13 -2.19 115.95 120.74 1n77 h TRP 62 Ca -0.01 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1n77 h TRP 62 Cb 1.13 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1n77 h TRP 62 CO 0.03 0.84 0.00 1.28 -2.79 0.00 0.00 178.44 177.81 1n77 n LEU 63 N -4.35 0.37 0.00 0.65 4.77 -0.45 -4.75 117.00 113.25 1n77 n LEU 63 Ca 0.08 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1n77 n LEU 63 Cb 0.13 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1n77 n LEU 63 CO 0.39 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1n77 n GLY 64 N 0.60 1.03 3.85 -0.72 0.00 -0.82 -4.74 105.19 104.38 1n77 n GLY 64 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1n77 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n77 s LEU 65 N 0.00 4.29 -0.02 0.99 1.43 -0.76 -5.02 118.68 119.59 1n77 s LEU 65 Ca 0.00 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.23 1n77 s LEU 65 Cb 0.00 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1n77 s LEU 65 CO 0.00 0.05 -0.10 -0.44 0.23 0.00 0.00 176.35 176.09 1n77 s SER 66 N -1.85 1.25 0.15 2.29 0.01 -1.26 -4.12 113.70 110.18 1n77 s SER 66 Ca 0.41 -0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.54 1n77 s SER 66 Cb -0.14 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 1n77 s SER 66 CO 0.20 0.08 0.03 -0.72 0.41 0.00 0.00 173.24 173.24 1n77 s TYR 67 N 0.08 2.94 -0.03 2.43 1.13 -1.26 -4.93 117.35 117.71 1n77 s TYR 67 Ca -0.01 -0.09 0.12 0.00 -1.41 0.00 0.00 57.07 55.68 1n77 s TYR 67 Cb -0.08 -1.44 -0.19 0.00 -1.10 0.00 0.00 41.96 39.15 1n77 s TYR 67 CO 0.00 0.51 0.86 -0.44 -2.51 0.00 0.00 175.55 173.97 1n77 h ASP 68 N 2.81 0.00 -4.33 -0.18 3.45 -1.63 -3.47 116.42 113.08 1n77 h ASP 68 Ca -0.47 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 56.72 1n77 h ASP 68 Cb 1.19 0.00 -0.25 0.00 -0.56 0.00 0.00 39.33 39.72 1n77 h ASP 68 CO 0.59 0.90 -0.73 -1.61 -1.57 0.00 0.00 179.24 176.82 1n77 s GLU 69 N -2.70 0.36 0.00 3.56 2.02 -1.23 -4.85 118.70 115.85 1n77 s GLU 69 Ca -0.03 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1n77 s GLU 69 Cb 0.08 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.11 1n77 s GLU 69 CO 0.82 0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.55 1n77 n GLY 70 N 2.27 0.00 0.26 -1.39 0.00 -0.96 -1.59 105.19 103.78 1n77 n GLY 70 Ca -0.18 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 44.86 1n77 n GLY 70 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n77 h PRO 71 N 0.00 0.28 -0.43 1.61 0.11 -1.81 -1.70 132.00 130.06 1n77 h PRO 71 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1n77 h PRO 71 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1n77 h PRO 71 CO 0.00 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 177.58 1n77 n ASP 72 N -5.13 4.83 0.00 -2.05 5.75 -1.26 -4.35 116.55 114.34 1n77 n ASP 72 Ca 0.13 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 51.97 1n77 n ASP 72 Cb 0.41 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1n77 n ASP 72 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1n77 n VAL 73 N 0.14 0.06 -3.86 2.12 0.24 -1.04 -5.14 118.33 110.85 1n77 n VAL 73 Ca 0.25 -0.10 0.03 0.00 -2.04 0.00 0.00 64.34 62.47 1n77 n VAL 73 Cb 1.04 1.50 -0.01 0.00 -1.47 0.00 0.00 33.84 34.90 1n77 n VAL 73 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n77 n GLY 74 N -0.03 -1.51 0.00 7.63 0.00 -0.67 -4.73 105.19 105.88 1n77 n GLY 74 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1n77 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n77 n GLY 75 N -0.62 3.27 0.29 -0.02 0.00 -1.26 -2.27 105.19 104.57 1n77 n GLY 75 Ca 0.00 -0.88 0.17 0.00 0.00 0.00 0.00 46.02 45.31 1n77 n GLY 75 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n77 h PRO 76 N 0.00 0.00 -0.64 1.61 0.11 -1.97 -3.27 132.00 127.84 1n77 h PRO 76 Ca 0.00 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.65 1n77 h PRO 76 Cb 0.00 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 30.76 1n77 h PRO 76 CO 0.00 0.06 -0.64 0.72 -0.21 0.00 0.00 178.00 177.93 1n77 n HIS 77 N -3.34 2.32 -1.58 0.65 8.25 -1.26 -5.06 115.22 115.19 1n77 n HIS 77 Ca -0.01 -2.14 -0.30 0.00 -0.26 0.00 0.00 57.72 55.00 1n77 n HIS 77 Cb 0.21 -0.40 0.20 0.00 1.12 0.00 0.00 29.99 31.12 1n77 n HIS 77 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1n77 s GLY 78 N -3.39 1.69 0.94 -1.41 0.00 -1.24 -4.75 107.32 99.16 1n77 s GLY 78 Ca 0.50 -1.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.05 1n77 s GLY 78 CO 0.02 -0.26 1.10 -4.14 0.00 0.00 0.00 173.10 169.81 1n77 s PRO 79 N -5.67 0.88 -0.20 2.90 0.02 -1.26 -5.09 135.00 126.58 1n77 s PRO 79 Ca 0.72 1.10 0.15 0.00 0.02 0.00 0.00 61.00 62.99 1n77 s PRO 79 Cb -0.07 -1.74 0.46 0.00 0.02 0.00 0.00 34.50 33.17 1n77 s PRO 79 CO 0.54 -2.58 1.36 0.66 -0.33 0.00 0.00 177.00 176.65 1n77 n TYR 80 N -4.15 0.69 -3.93 6.54 4.02 -1.26 -4.87 117.16 114.20 1n77 n TYR 80 Ca 0.08 -1.12 -0.28 0.00 -0.01 0.00 0.00 57.90 56.57 1n77 n TYR 80 Cb 0.54 -0.31 -0.16 0.00 -0.02 0.00 0.00 39.34 39.38 1n77 n TYR 80 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1n77 s ARG 81 N -2.97 1.69 0.53 -0.72 3.52 -1.26 -1.09 118.95 118.65 1n77 s ARG 81 Ca 0.40 -0.50 0.19 0.00 -0.13 0.00 0.00 55.73 55.69 1n77 s ARG 81 Cb 0.34 -1.97 1.37 0.00 -1.56 0.00 0.00 34.95 33.13 1n77 s ARG 81 CO 0.04 -0.36 2.16 1.96 -0.81 0.00 0.00 175.30 178.30 1n77 h GLN 82 N 8.10 0.00 -0.28 5.12 4.20 -1.73 -1.60 115.11 128.92 1n77 h GLN 82 Ca -0.29 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.50 1n77 h GLN 82 Cb 1.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 1n77 h GLN 82 CO 0.43 0.01 0.20 0.66 -0.67 0.00 0.00 178.83 179.47 1n77 h SER 83 N 0.00 0.03 -0.20 1.46 4.64 -1.84 0.13 113.55 117.77 1n77 h SER 83 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n77 h SER 83 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1n77 h SER 83 CO 0.00 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 1n77 n GLU 84 N -4.46 1.66 -0.10 4.77 1.02 -0.60 -3.76 120.64 119.16 1n77 n GLU 84 Ca 0.04 -1.01 0.07 0.00 -0.02 0.00 0.00 57.16 56.23 1n77 n GLU 84 Cb 0.34 -1.34 0.12 0.00 -0.02 0.00 0.00 31.44 30.53 1n77 n GLU 84 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1n77 n ARG 85 N 0.25 2.08 -0.15 3.49 1.74 0.43 -4.84 116.66 119.66 1n77 n ARG 85 Ca 0.14 -2.27 -0.02 0.00 -0.77 0.00 0.00 57.85 54.93 1n77 n ARG 85 Cb 0.29 -1.38 0.05 0.00 -1.02 0.00 0.00 32.46 30.40 1n77 n ARG 85 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1n77 h LEU 86 N 0.35 -0.22 -1.79 0.55 4.07 -1.64 -1.26 115.31 115.37 1n77 h LEU 86 Ca 0.00 0.12 0.09 0.00 0.08 0.00 0.00 57.88 58.17 1n77 h LEU 86 Cb 0.89 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 1n77 h LEU 86 CO 0.03 -0.08 0.33 -0.65 -1.08 0.00 0.00 178.44 176.99 1n77 h PRO 87 N 0.11 0.24 0.44 1.13 0.11 -1.92 -1.58 132.00 130.52 1n77 h PRO 87 Ca 0.25 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 1n77 h PRO 87 Cb 0.37 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1n77 h PRO 87 CO -0.41 0.16 -0.21 1.25 -0.21 0.00 0.00 178.00 178.57 1n77 h LEU 88 N 0.24 -0.50 -0.97 2.35 5.85 -1.61 -0.86 115.31 119.82 1n77 h LEU 88 Ca 0.22 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1n77 h LEU 88 Cb 0.56 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1n77 h LEU 88 CO -0.04 -0.33 0.64 1.88 -0.34 0.00 0.00 178.44 180.24 1n77 h TYR 89 N -0.62 1.20 -0.04 1.25 0.05 -1.23 -1.43 116.97 116.14 1n77 h TYR 89 Ca -0.06 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.79 1n77 h TYR 89 Cb 0.47 -0.40 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 1n77 h TYR 89 CO -0.04 0.72 -0.28 1.96 -1.05 0.00 0.00 178.16 179.48 1n77 h GLN 90 N 1.26 -0.38 -0.29 4.88 1.08 -1.04 0.59 115.11 121.22 1n77 h GLN 90 Ca 0.37 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.66 1n77 h GLN 90 Cb -0.08 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.37 1n77 h GLN 90 CO -0.10 -0.25 -0.16 -0.22 -0.95 0.00 0.00 178.83 177.14 1n77 h LYS 91 N -0.40 -0.13 -0.18 1.46 3.64 -0.51 -1.86 116.57 118.60 1n77 h LYS 91 Ca 0.07 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 1n77 h LYS 91 Cb 0.50 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1n77 h LYS 91 CO -0.27 -0.09 -0.35 1.88 -2.27 0.00 0.00 179.45 178.36 1n77 h TYR 92 N -0.13 0.45 -0.12 1.91 -1.99 -0.96 -2.33 116.97 113.79 1n77 h TYR 92 Ca 0.15 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1n77 h TYR 92 Cb 0.36 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1n77 h TYR 92 CO -0.35 0.69 0.07 0.00 -0.00 0.00 0.00 178.16 178.57 1n77 h ALA 93 N 1.30 0.15 0.00 3.88 0.00 -0.40 -1.73 119.26 122.46 1n77 h ALA 93 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1n77 h ALA 93 Cb 0.78 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1n77 h ALA 93 CO 0.06 -0.34 -0.15 0.93 0.00 0.00 0.00 179.25 179.75 1n77 h GLU 94 N 0.12 0.00 -0.58 0.00 5.08 -1.23 -1.54 114.58 116.43 1n77 h GLU 94 Ca 0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1n77 h GLU 94 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1n77 h GLU 94 CO -0.01 0.15 0.12 1.49 -1.00 0.00 0.00 179.01 179.77 1n77 h GLU 95 N 0.00 0.93 -0.56 2.33 4.57 -0.77 0.43 114.58 121.51 1n77 h GLU 95 Ca -0.00 -0.23 -0.08 0.00 -1.18 0.00 0.00 59.36 57.86 1n77 h GLU 95 Cb 0.30 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1n77 h GLU 95 CO 0.02 0.87 0.02 -0.07 -1.18 0.00 0.00 179.01 178.67 1n77 h LEU 96 N 0.84 0.91 -0.13 1.64 4.07 -0.69 -1.41 115.31 120.53 1n77 h LEU 96 Ca 0.18 -0.23 0.04 0.00 0.08 0.00 0.00 57.88 57.94 1n77 h LEU 96 Cb 0.37 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 1n77 h LEU 96 CO 0.01 0.96 -0.13 0.25 -1.08 0.00 0.00 178.44 178.44 1n77 h LEU 97 N 0.87 -0.41 -1.42 1.67 5.85 -0.53 -0.50 115.31 120.83 1n77 h LEU 97 Ca 0.16 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1n77 h LEU 97 Cb 0.49 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1n77 h LEU 97 CO 0.02 -0.17 -0.29 0.11 -0.34 0.00 0.00 178.44 177.77 1n77 h LYS 98 N -0.16 0.00 -0.08 1.25 1.57 -0.70 -2.60 116.57 115.85 1n77 h LYS 98 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1n77 h LYS 98 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1n77 h LYS 98 CO -0.23 0.29 0.00 0.54 -0.57 0.00 0.00 179.45 179.48 1n77 n ARG 99 N -4.03 1.39 -0.93 3.15 1.74 -0.46 -4.89 116.66 112.63 1n77 n ARG 99 Ca -0.02 -0.59 0.00 0.00 -0.77 0.00 0.00 57.85 56.47 1n77 n ARG 99 Cb 0.35 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1n77 n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n77 n GLY 100 N 0.98 0.63 0.18 -0.13 0.00 -0.60 -4.87 105.19 101.37 1n77 n GLY 100 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1n77 n GLY 100 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n77 n TRP 101 N -2.29 0.00 -4.05 1.61 7.02 -0.32 -4.85 117.44 114.56 1n77 n TRP 101 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1n77 n TRP 101 Cb 0.04 -0.13 -0.06 0.00 -2.42 0.00 0.00 31.31 28.75 1n77 n TRP 101 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n77 s ALA 102 N -2.36 0.26 0.13 6.99 0.00 -1.17 0.51 121.76 126.11 1n77 s ALA 102 Ca 0.31 -1.19 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 1n77 s ALA 102 Cb 0.20 1.14 0.06 0.00 0.00 0.00 0.00 23.12 24.52 1n77 s ALA 102 CO 0.45 -0.80 0.52 1.52 0.00 0.00 0.00 175.76 177.46 1n77 s TYR 103 N -3.74 -0.41 0.03 0.00 -0.85 -0.58 -4.54 117.35 107.26 1n77 s TYR 103 Ca 0.27 0.22 -0.23 0.00 -0.52 0.00 0.00 57.07 56.82 1n77 s TYR 103 Cb 0.01 0.42 -0.06 0.00 0.38 0.00 0.00 41.96 42.71 1n77 s TYR 103 CO 0.13 -0.76 0.67 1.03 -1.52 0.00 0.00 175.55 175.10 1n77 s ARG 104 N -3.51 4.40 -0.08 -3.49 0.52 -1.26 -0.69 118.95 114.83 1n77 s ARG 104 Ca 0.00 0.90 0.02 0.00 -0.52 0.00 0.00 55.73 56.13 1n77 s ARG 104 Cb 0.00 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.15 1n77 s ARG 104 CO -0.10 0.37 -0.12 0.00 0.02 0.00 0.00 175.30 175.47 1n77 s ALA 105 N -0.28 1.34 -0.80 2.13 0.00 -0.23 -4.84 121.76 119.08 1n77 s ALA 105 Ca 0.34 -0.48 0.15 0.00 0.00 0.00 0.00 51.96 51.97 1n77 s ALA 105 Cb -0.20 -0.65 0.51 0.00 0.00 0.00 0.00 23.12 22.78 1n77 s ALA 105 CO 0.20 0.02 1.43 1.19 0.00 0.00 0.00 175.76 178.60 1n77 n PHE 106 N 4.02 0.94 -1.78 0.00 3.01 -1.26 -1.44 117.46 120.95 1n77 n PHE 106 Ca -0.21 -0.64 -0.41 0.00 1.01 0.00 0.00 57.45 57.20 1n77 n PHE 106 Cb 0.51 -0.18 -0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1n77 n PHE 106 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1n77 s GLU 107 N -1.79 4.09 0.71 -1.08 8.01 -1.26 -4.91 118.70 122.47 1n77 s GLU 107 Ca 0.38 2.60 -0.11 0.00 0.01 0.00 0.00 54.97 57.85 1n77 s GLU 107 Cb 0.25 -2.96 0.02 0.00 -4.31 0.00 0.00 34.13 27.13 1n77 s GLU 107 CO 0.17 -0.56 1.06 0.95 0.01 0.00 0.00 175.26 176.89 1n77 s THR 108 N -1.07 3.91 0.58 3.63 -4.23 -1.26 -4.84 115.64 112.36 1n77 s THR 108 Ca 0.53 0.62 0.28 0.00 -1.18 0.00 0.00 61.69 61.95 1n77 s THR 108 Cb -0.47 -3.34 0.36 0.00 1.34 0.00 0.00 72.50 70.39 1n77 s THR 108 CO 0.63 -0.81 2.10 -0.65 -0.54 0.00 0.00 174.62 175.35 1n77 h PRO 109 N -0.78 0.00 0.00 3.99 0.11 -2.00 -1.41 132.00 131.91 1n77 h PRO 109 Ca -0.44 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.46 1n77 h PRO 109 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1n77 h PRO 109 CO 0.56 0.00 -1.09 0.93 -0.21 0.00 0.00 178.00 178.19 1n77 h GLU 110 N 0.00 0.00 -0.19 1.05 3.07 -2.00 -2.90 114.58 113.61 1n77 h GLU 110 Ca 0.09 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 1n77 h GLU 110 Cb 0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1n77 h GLU 110 CO -0.00 0.86 -0.27 1.49 -1.40 0.00 0.00 179.01 179.69 1n77 h GLU 111 N 0.00 0.52 -0.94 2.33 4.81 -1.62 -2.68 114.58 116.99 1n77 h GLU 111 Ca -0.06 -0.30 0.10 0.00 -0.13 0.00 0.00 59.36 58.97 1n77 h GLU 111 Cb 1.78 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 31.11 1n77 h GLU 111 CO 0.11 0.90 0.58 -0.07 -0.73 0.00 0.00 179.01 179.80 1n77 h LEU 112 N 0.17 0.87 -0.51 1.64 3.38 -1.50 0.12 115.31 119.47 1n77 h LEU 112 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n77 h LEU 112 Cb 0.84 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1n77 h LEU 112 CO 0.06 0.49 0.31 -0.08 0.09 0.00 0.00 178.44 179.32 1n77 h GLU 113 N 0.96 0.69 -0.33 1.13 4.81 -1.42 0.96 114.58 121.39 1n77 h GLU 113 Ca 0.45 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1n77 h GLU 113 Cb 0.39 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1n77 h GLU 113 CO -0.24 0.50 -0.06 0.37 -0.73 0.00 0.00 179.01 178.85 1n77 h GLN 114 N 0.69 0.53 -0.35 1.92 5.75 -0.86 0.74 115.11 123.52 1n77 h GLN 114 Ca 0.18 -0.13 -0.16 0.00 -0.15 0.00 0.00 58.65 58.39 1n77 h GLN 114 Cb -0.02 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.46 1n77 h GLN 114 CO -0.04 0.59 -0.42 0.82 -2.65 0.00 0.00 178.83 177.14 1n77 h ILE 115 N 0.50 1.27 -0.33 2.39 2.04 -0.17 -1.95 117.51 121.26 1n77 h ILE 115 Ca 0.10 -1.60 -0.10 0.00 1.00 0.00 0.00 64.86 64.26 1n77 h ILE 115 Cb 0.41 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1n77 h ILE 115 CO 0.02 0.53 -0.21 -0.09 0.00 0.00 0.00 178.15 178.40 1n77 h ARG 116 N 0.72 0.63 -0.13 2.37 2.43 -0.38 -0.41 114.38 119.61 1n77 h ARG 116 Ca 0.05 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 1n77 h ARG 116 Cb 1.02 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1n77 h ARG 116 CO 0.10 0.80 -0.00 -0.22 -1.51 0.00 0.00 179.97 179.14 1n77 h LYS 117 N 0.56 0.23 0.21 0.20 3.64 -0.71 0.52 116.57 121.22 1n77 h LYS 117 Ca 0.08 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1n77 h LYS 117 Cb 0.67 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1n77 h LYS 117 CO 0.05 0.47 -0.10 0.93 -2.27 0.00 0.00 179.45 178.53 1n77 h GLU 118 N -0.04 -0.27 -0.55 1.90 4.39 -1.27 -3.37 114.58 115.37 1n77 h GLU 118 Ca 0.04 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1n77 h GLU 118 Cb 0.36 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1n77 h GLU 118 CO 0.01 -0.18 0.00 1.63 -1.16 0.00 0.00 179.01 179.31 1n77 n LYS 119 N -4.48 2.40 -2.98 2.33 5.02 -0.17 -5.02 118.16 115.25 1n77 n LYS 119 Ca -0.03 -2.16 -0.02 0.00 -2.02 0.00 0.00 58.31 54.07 1n77 n LYS 119 Cb 0.11 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1n77 n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n77 n GLY 120 N 1.47 -1.96 0.00 0.72 0.00 0.17 -4.89 105.19 100.70 1n77 n GLY 120 Ca 0.20 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1n77 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n77 n GLY 121 N 0.93 1.41 3.72 -0.02 0.00 -1.22 -4.95 105.19 105.07 1n77 n GLY 121 Ca 0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1n77 n GLY 121 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1n77 n TYR 122 N 1.46 2.35 -0.50 1.61 9.36 -1.26 -4.45 117.16 125.72 1n77 n TYR 122 Ca 0.00 0.48 0.10 0.00 3.32 0.00 0.00 57.90 61.80 1n77 n TYR 122 Cb 0.00 -2.41 0.33 0.00 -0.63 0.00 0.00 39.34 36.63 1n77 n TYR 122 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1n77 n ASP 123 N 0.13 4.30 -2.86 2.98 5.68 -1.26 -4.90 116.55 120.63 1n77 n ASP 123 Ca 0.06 -2.24 -0.22 0.00 -0.50 0.00 0.00 54.79 51.88 1n77 n ASP 123 Cb 0.40 -0.52 0.02 0.00 -1.14 0.00 0.00 41.12 39.88 1n77 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n77 n GLY 124 N 1.27 -0.52 0.24 6.12 0.00 -1.26 -4.88 105.19 106.17 1n77 n GLY 124 Ca 0.24 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.44 1n77 n GLY 124 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1n77 h ARG 125 N -0.99 0.00 0.00 1.61 0.11 -2.01 -2.53 114.38 110.56 1n77 h ARG 125 Ca -0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.56 1n77 h ARG 125 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 1n77 h ARG 125 CO 0.57 0.14 0.00 0.00 0.10 0.00 0.00 179.97 180.78 1n77 n ALA 126 N -2.42 1.90 0.27 0.08 0.00 -1.26 -2.41 120.51 116.67 1n77 n ALA 126 Ca -0.02 -0.08 0.16 0.00 0.00 0.00 0.00 53.44 53.50 1n77 n ALA 126 Cb 0.22 -1.26 0.63 0.00 0.00 0.00 0.00 19.45 19.03 1n77 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n77 h ARG 127 N 0.00 0.00 -0.00 0.00 3.08 -1.77 -2.75 114.38 112.93 1n77 h ARG 127 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n77 h ARG 127 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1n77 h ARG 127 CO 0.00 0.03 -0.02 0.09 -1.07 0.00 0.00 179.97 179.00 1n77 n ASN 128 N -3.13 0.49 -4.71 7.04 3.02 -1.01 -4.83 115.26 112.13 1n77 n ASN 128 Ca 0.01 -1.03 -0.42 0.00 -0.03 0.00 0.00 54.58 53.11 1n77 n ASN 128 Cb 0.33 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 1n77 n ASN 128 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1n77 s ILE 129 N -2.10 4.87 0.15 2.41 1.01 -1.04 -4.98 121.20 121.51 1n77 s ILE 129 Ca 0.41 2.02 -0.33 0.00 0.00 0.00 0.00 60.65 62.76 1n77 s ILE 129 Cb 0.21 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.26 1n77 s ILE 129 CO 0.38 0.14 1.73 -2.65 0.00 0.00 0.00 174.94 174.54 1n77 n PRO 130 N 4.06 2.54 -0.30 2.79 -0.02 -1.26 -4.79 135.00 138.02 1n77 n PRO 130 Ca 0.06 0.92 0.14 0.00 -2.02 0.00 0.00 63.50 62.60 1n77 n PRO 130 Cb 0.51 -2.76 0.31 0.00 -0.02 0.00 0.00 33.50 31.54 1n77 n PRO 130 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n77 h PRO 131 N 7.22 0.24 -0.01 0.52 0.11 -1.94 0.40 132.00 138.55 1n77 h PRO 131 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1n77 h PRO 131 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1n77 h PRO 131 CO 0.93 0.16 -0.27 0.93 -0.21 0.00 0.00 178.00 179.54 1n77 h GLU 132 N 0.25 0.02 -0.01 1.05 4.39 -1.98 0.29 114.58 118.58 1n77 h GLU 132 Ca 0.57 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 60.01 1n77 h GLU 132 Cb 1.17 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1n77 h GLU 132 CO -0.63 0.29 -1.00 1.49 -1.16 0.00 0.00 179.01 178.00 1n77 h GLU 133 N 0.02 0.64 -0.28 2.33 4.81 -0.64 -1.67 114.58 119.80 1n77 h GLU 133 Ca 0.00 -0.67 -0.03 0.00 -0.13 0.00 0.00 59.36 58.53 1n77 h GLU 133 Cb 0.49 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1n77 h GLU 133 CO 0.04 1.27 0.04 0.00 -0.73 0.00 0.00 179.01 179.62 1n77 h ALA 134 N 0.50 0.37 -0.35 2.92 0.00 -0.59 0.17 119.26 122.29 1n77 h ALA 134 Ca -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1n77 h ALA 134 Cb 1.64 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1n77 h ALA 134 CO 0.19 0.06 0.22 0.93 0.00 0.00 0.00 179.25 180.66 1n77 h GLU 135 N 0.27 0.47 0.01 0.00 4.39 -0.44 -0.92 114.58 118.37 1n77 h GLU 135 Ca 0.08 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1n77 h GLU 135 Cb 0.35 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1n77 h GLU 135 CO 0.01 0.32 -0.41 1.49 -1.16 0.00 0.00 179.01 179.25 1n77 h GLU 136 N 0.48 0.25 0.00 2.33 4.22 -0.89 -2.70 114.58 118.27 1n77 h GLU 136 Ca 0.13 -0.29 -0.01 0.00 0.08 0.00 0.00 59.36 59.26 1n77 h GLU 136 Cb -0.04 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1n77 h GLU 136 CO -0.03 1.02 -0.06 0.00 -2.18 0.00 0.00 179.01 177.77 1n77 h ARG 137 N -0.39 0.00 -0.07 1.92 3.08 -0.37 -1.40 114.38 117.16 1n77 h ARG 137 Ca -0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1n77 h ARG 137 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1n77 h ARG 137 CO 0.08 0.06 -0.29 0.00 -1.07 0.00 0.00 179.97 178.74 1n77 h ALA 138 N 1.94 0.13 -0.11 0.04 0.00 -1.15 -1.27 119.26 118.84 1n77 h ALA 138 Ca -0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1n77 h ALA 138 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1n77 h ALA 138 CO 0.01 0.16 -0.19 0.00 0.00 0.00 0.00 179.25 179.23 1n77 h ARG 139 N -0.18 0.19 0.00 0.00 3.08 -1.04 0.97 114.38 117.40 1n77 h ARG 139 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1n77 h ARG 139 Cb 0.94 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1n77 h ARG 139 CO 0.06 0.38 0.00 0.54 -1.07 0.00 0.00 179.97 179.88 1n77 n ARG 140 N -4.24 0.60 -1.00 0.04 1.74 -0.59 -4.83 116.66 108.38 1n77 n ARG 140 Ca -0.01 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1n77 n ARG 140 Cb 0.30 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1n77 n ARG 140 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n77 n GLY 141 N 0.20 0.47 3.69 -0.13 0.00 0.34 -4.98 105.19 104.78 1n77 n GLY 141 Ca 0.14 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1n77 n GLY 141 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n77 n GLU 142 N -2.80 2.55 -1.91 1.61 2.13 -0.48 -4.89 120.64 116.85 1n77 n GLU 142 Ca -0.00 0.92 -0.41 0.00 0.66 0.00 0.00 57.16 58.33 1n77 n GLU 142 Cb 0.03 -2.76 -0.01 0.00 0.27 0.00 0.00 31.44 28.96 1n77 n GLU 142 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1n77 s PRO 143 N 1.74 4.20 0.30 5.31 0.04 -1.26 -4.71 135.00 140.62 1n77 s PRO 143 Ca 0.79 2.44 -0.19 0.00 0.04 0.00 0.00 61.00 64.08 1n77 s PRO 143 Cb -0.56 -3.03 0.06 0.00 0.04 0.00 0.00 34.50 31.00 1n77 s PRO 143 CO 0.37 -0.45 0.86 -3.38 0.04 0.00 0.00 177.00 174.44 1n77 s HIS 144 N -0.72 0.04 0.31 0.56 -3.43 -1.26 -4.71 115.29 106.07 1n77 s HIS 144 Ca 0.55 -0.58 0.05 0.00 -0.80 0.00 0.00 55.06 54.27 1n77 s HIS 144 Cb -0.44 0.77 -0.06 0.00 -1.43 0.00 0.00 32.58 31.41 1n77 s HIS 144 CO 0.54 -1.29 0.01 0.14 -2.00 0.00 0.00 174.74 172.14 1n77 s VAL 145 N -2.58 1.37 -0.15 -5.38 -7.23 -0.52 -3.36 120.40 102.55 1n77 s VAL 145 Ca 0.16 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1n77 s VAL 145 Cb -0.04 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1n77 s VAL 145 CO 0.08 -0.13 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.95 1n77 s ILE 146 N -3.18 2.51 0.14 -0.62 1.01 -0.58 -1.07 121.20 119.42 1n77 s ILE 146 Ca 0.33 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1n77 s ILE 146 Cb 0.07 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1n77 s ILE 146 CO 0.14 0.53 -0.02 -0.13 0.00 0.00 0.00 174.94 175.45 1n77 s ARG 147 N 0.77 2.39 0.05 2.79 0.52 0.13 0.13 118.95 125.74 1n77 s ARG 147 Ca -0.07 -1.01 -0.31 0.00 -0.52 0.00 0.00 55.73 53.83 1n77 s ARG 147 Cb -0.15 -2.40 -0.06 0.00 0.52 0.00 0.00 34.95 32.86 1n77 s ARG 147 CO 0.00 0.49 1.24 -1.17 0.02 0.00 0.00 175.30 175.88 1n77 s LEU 148 N -2.62 4.36 -0.88 2.53 2.96 0.29 -1.53 118.68 123.79 1n77 s LEU 148 Ca 0.26 2.04 -0.17 0.00 -0.22 0.00 0.00 54.13 56.03 1n77 s LEU 148 Cb -0.10 -3.58 0.16 0.00 0.50 0.00 0.00 46.19 43.17 1n77 s LEU 148 CO 0.18 -0.52 0.99 -0.75 -1.32 0.00 0.00 176.35 174.93 1n77 s LYS 149 N 1.28 3.58 0.23 1.98 2.20 0.18 -4.29 119.74 124.91 1n77 s LYS 149 Ca 0.59 -1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 53.94 1n77 s LYS 149 Cb -0.30 -4.73 -0.10 0.00 -1.51 0.00 0.00 37.83 31.19 1n77 s LYS 149 CO 0.28 -1.61 1.42 0.08 -0.36 0.00 0.00 175.35 175.17 1n77 s VAL 150 N 1.88 2.77 -0.07 4.02 1.01 -1.26 -4.73 120.40 124.02 1n77 s VAL 150 Ca 0.27 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1n77 s VAL 150 Cb -0.07 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1n77 s VAL 150 CO -0.09 0.10 1.82 -2.84 0.00 0.00 0.00 175.10 174.09 1n77 s PRO 151 N -0.22 3.98 -0.06 2.72 0.02 -1.26 -4.99 135.00 135.20 1n77 s PRO 151 Ca 0.59 2.23 0.04 0.00 0.02 0.00 0.00 61.00 63.88 1n77 s PRO 151 Cb -0.41 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.01 1n77 s PRO 151 CO 0.41 -1.10 -0.17 1.03 -0.33 0.00 0.00 177.00 176.84 1n77 s ARG 152 N 4.56 2.04 0.73 5.54 0.52 -1.26 -3.99 118.95 127.08 1n77 s ARG 152 Ca 0.81 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 55.37 1n77 s ARG 152 Cb -0.35 -1.68 0.11 0.00 0.52 0.00 0.00 34.95 33.54 1n77 s ARG 152 CO 0.34 0.17 1.02 -1.25 0.02 0.00 0.00 175.30 175.60 1n77 s PRO 153 N 0.28 1.77 0.00 3.54 0.04 -1.26 -5.19 135.00 134.19 1n77 s PRO 153 Ca -0.10 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.20 1n77 s PRO 153 Cb -0.14 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1n77 s PRO 153 CO 0.04 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.05 1n77 n GLY 154 N -2.93 -1.66 3.05 0.56 0.00 -1.26 -5.04 105.19 97.92 1n77 n GLY 154 Ca 0.12 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1n77 n GLY 154 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1n77 s THR 155 N -2.66 0.29 -0.08 2.61 -1.32 -1.26 -1.05 115.64 112.17 1n77 s THR 155 Ca 0.00 -1.32 -0.02 0.00 -1.21 0.00 0.00 61.69 59.14 1n77 s THR 155 Cb 0.00 -0.86 0.04 0.00 -1.51 0.00 0.00 72.50 70.17 1n77 s THR 155 CO 0.00 -0.66 0.04 -0.89 -2.21 0.00 0.00 174.62 170.90 1n77 s THR 156 N -2.40 0.12 -0.17 5.08 2.01 -0.44 -4.83 115.64 114.99 1n77 s THR 156 Ca -0.05 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 1n77 s THR 156 Cb -0.03 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1n77 s THR 156 CO -0.04 0.10 0.78 -1.61 -0.69 0.00 0.00 174.62 173.16 1n77 s GLU 157 N 2.07 4.28 0.02 4.92 2.02 -1.26 -1.37 118.70 129.38 1n77 s GLU 157 Ca 0.04 0.91 0.05 0.00 0.02 0.00 0.00 54.97 56.00 1n77 s GLU 157 Cb -0.13 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 1n77 s GLU 157 CO -0.05 -0.30 -0.12 0.08 0.02 0.00 0.00 175.26 174.89 1n77 s VAL 158 N 2.05 3.22 -0.20 2.63 1.01 -0.88 -4.98 120.40 123.25 1n77 s VAL 158 Ca 0.36 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1n77 s VAL 158 Cb -0.16 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.88 1n77 s VAL 158 CO 0.12 0.36 -0.11 -0.75 0.00 0.00 0.00 175.10 174.72 1n77 s LYS 159 N -1.45 2.08 -0.24 2.72 2.20 -1.26 -0.57 119.74 123.23 1n77 s LYS 159 Ca 0.16 -0.87 -0.12 0.00 -0.36 0.00 0.00 55.97 54.79 1n77 s LYS 159 Cb -0.11 -2.44 -0.05 0.00 -1.51 0.00 0.00 37.83 33.72 1n77 s LYS 159 CO 0.07 -0.43 0.22 0.34 -0.36 0.00 0.00 175.35 175.19 1n77 s ASP 160 N 1.38 6.17 0.42 1.43 -1.08 -1.04 -4.17 116.67 119.77 1n77 s ASP 160 Ca -0.01 0.17 0.27 0.00 -0.52 0.00 0.00 52.55 52.46 1n77 s ASP 160 Cb -0.16 -2.13 1.46 0.00 -1.46 0.00 0.00 42.92 40.63 1n77 s ASP 160 CO -0.08 0.01 1.82 -0.33 0.52 0.00 0.00 175.17 177.11 1n77 h GLU 161 N 7.63 0.00 0.00 4.34 4.39 -0.83 -0.78 114.58 129.33 1n77 h GLU 161 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1n77 h GLU 161 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1n77 h GLU 161 CO 0.65 0.00 -1.25 1.28 -1.16 0.00 0.00 179.01 178.53 1n77 n LEU 162 N -2.46 0.12 -0.01 1.33 4.77 -1.26 -4.69 117.00 114.80 1n77 n LEU 162 Ca -0.02 -0.12 0.03 0.00 -0.03 0.00 0.00 56.01 55.87 1n77 n LEU 162 Cb 0.08 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1n77 n LEU 162 CO 0.12 0.03 -0.60 0.54 -1.33 0.00 0.00 177.39 176.15 1n77 n ARG 163 N -1.72 0.44 0.00 3.23 1.74 -1.10 -5.12 116.66 114.13 1n77 n ARG 163 Ca -0.01 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1n77 n ARG 163 Cb 0.25 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1n77 n ARG 163 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n77 n GLY 164 N 2.14 -1.80 3.76 -0.13 0.00 -0.32 -4.99 105.19 103.86 1n77 n GLY 164 Ca -0.02 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.53 1n77 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n77 s VAL 165 N -0.32 3.06 -0.24 1.61 1.01 -1.26 -2.51 120.40 121.76 1n77 s VAL 165 Ca 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 1n77 s VAL 165 Cb 0.00 -3.05 0.11 0.00 0.00 0.00 0.00 36.38 33.43 1n77 s VAL 165 CO 0.00 -0.28 0.24 -0.69 0.00 0.00 0.00 175.10 174.36 1n77 s VAL 166 N -2.21 -0.33 -0.14 2.92 1.01 0.27 -4.93 120.40 116.99 1n77 s VAL 166 Ca 0.69 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.13 1n77 s VAL 166 Cb -0.22 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1n77 s VAL 166 CO 0.40 -0.33 0.84 -0.69 0.00 0.00 0.00 175.10 175.32 1n77 s VAL 167 N 2.32 4.89 0.17 2.92 1.01 -1.26 -2.08 120.40 128.38 1n77 s VAL 167 Ca 0.08 1.67 0.05 0.00 0.00 0.00 0.00 61.98 63.78 1n77 s VAL 167 Cb -0.15 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1n77 s VAL 167 CO -0.21 0.06 0.13 -0.31 0.00 0.00 0.00 175.10 174.77 1n77 s TYR 168 N 1.90 3.12 -0.25 5.22 2.02 -0.47 -4.96 117.35 123.93 1n77 s TYR 168 Ca 0.40 -0.04 -0.09 0.00 -0.37 0.00 0.00 57.07 56.97 1n77 s TYR 168 Cb -0.17 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1n77 s TYR 168 CO 0.14 0.52 0.13 0.34 -1.57 0.00 0.00 175.55 175.11 1n77 s ASP 169 N -3.15 5.70 0.64 2.29 3.68 -1.26 -1.33 116.67 123.24 1n77 s ASP 169 Ca 0.31 -0.03 0.19 0.00 2.13 0.00 0.00 52.55 55.14 1n77 s ASP 169 Cb -0.10 -2.03 0.90 0.00 -1.45 0.00 0.00 42.92 40.24 1n77 s ASP 169 CO 0.23 0.01 1.47 0.78 0.13 0.00 0.00 175.17 177.79 1n77 h ASN 170 N 7.92 0.00 0.62 -0.34 4.21 -1.41 1.22 115.58 127.78 1n77 h ASN 170 Ca -0.37 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.14 1n77 h ASN 170 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1n77 h ASN 170 CO 0.60 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.74 1n77 n GLN 171 N -2.99 0.01 0.03 0.81 3.00 -1.26 -1.53 117.38 115.45 1n77 n GLN 171 Ca 0.06 0.18 0.11 0.00 -0.01 0.00 0.00 57.00 57.35 1n77 n GLN 171 Cb 0.91 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.57 1n77 n GLN 171 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1n77 n GLU 172 N -1.49 0.52 -3.16 -1.09 1.02 0.42 -4.80 120.64 112.06 1n77 n GLU 172 Ca 0.05 -0.06 -0.44 0.00 -0.02 0.00 0.00 57.16 56.69 1n77 n GLU 172 Cb 0.21 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 1n77 n GLU 172 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n77 s ILE 173 N -3.37 4.88 0.60 -3.67 1.01 -0.58 -5.05 121.20 115.01 1n77 s ILE 173 Ca -0.02 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 1n77 s ILE 173 Cb 0.13 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 1n77 s ILE 173 CO 0.85 -0.85 1.10 -2.16 0.00 0.00 0.00 174.94 173.88 1n77 s PRO 174 N 2.59 3.13 -1.13 2.79 0.04 -1.26 -4.89 135.00 136.27 1n77 s PRO 174 Ca 0.14 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 1n77 s PRO 174 Cb -0.20 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1n77 s PRO 174 CO 0.11 -0.99 2.21 -0.25 0.04 0.00 0.00 177.00 178.12 1n77 n ASP 175 N -1.91 4.38 -4.56 6.66 8.00 -1.26 -4.88 116.55 122.98 1n77 n ASP 175 Ca 0.10 -2.63 -0.39 0.00 0.71 0.00 0.00 54.79 52.58 1n77 n ASP 175 Cb 0.52 -1.33 0.04 0.00 -0.02 0.00 0.00 41.12 40.32 1n77 n ASP 175 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1n77 n VAL 176 N 4.99 2.87 -2.48 2.53 0.24 -1.26 -4.17 118.33 121.04 1n77 n VAL 176 Ca 0.54 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.92 1n77 n VAL 176 Cb 0.31 -0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 31.67 1n77 n VAL 176 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1n77 s VAL 177 N -1.52 4.02 -0.21 3.34 -7.23 -1.26 -0.55 120.40 116.99 1n77 s VAL 177 Ca 0.70 1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 62.43 1n77 s VAL 177 Cb -0.47 -4.00 -0.20 0.00 0.56 0.00 0.00 36.38 32.27 1n77 s VAL 177 CO 0.52 0.19 -0.03 0.18 -0.31 0.00 0.00 175.10 175.65 1n77 n LEU 178 N 3.24 2.85 -3.94 1.32 4.77 0.35 -4.65 117.00 120.95 1n77 n LEU 178 Ca 0.06 -0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 1n77 n LEU 178 Cb 0.47 -0.98 -0.16 0.00 -2.33 0.00 0.00 43.42 40.41 1n77 n LEU 178 CO 0.55 0.91 -0.44 -0.22 -1.33 0.00 0.00 177.39 176.85 1n77 s LEU 179 N -6.71 1.84 1.08 2.23 2.96 -0.99 -1.96 118.68 117.13 1n77 s LEU 179 Ca -0.31 -0.72 -0.12 0.00 -0.22 0.00 0.00 54.13 52.77 1n77 s LEU 179 Cb 0.08 -1.04 0.24 0.00 0.50 0.00 0.00 46.19 45.97 1n77 s LEU 179 CO 0.66 -0.16 1.06 -0.54 -1.32 0.00 0.00 176.35 176.05 1n77 s LYS 180 N 1.54 -0.30 0.15 1.98 1.02 0.26 -1.53 119.74 122.87 1n77 s LYS 180 Ca 0.01 1.01 0.21 0.00 0.02 0.00 0.00 55.97 57.22 1n77 s LYS 180 Cb -0.15 -1.61 0.87 0.00 -0.52 0.00 0.00 37.83 36.41 1n77 s LYS 180 CO -0.08 -3.36 1.66 -1.13 -0.92 0.00 0.00 175.35 171.52 1n77 n SER 181 N -4.68 0.43 -1.16 2.83 3.41 -1.21 -1.86 113.62 111.38 1n77 n SER 181 Ca 0.05 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.34 1n77 n SER 181 Cb 0.54 -0.69 0.27 0.00 -0.26 0.00 0.00 64.21 64.07 1n77 n SER 181 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1n77 n ASP 182 N -1.95 3.37 0.00 4.04 3.85 -1.26 -4.64 116.55 119.95 1n77 n ASP 182 Ca 0.03 -2.11 0.00 0.00 -0.71 0.00 0.00 54.79 52.00 1n77 n ASP 182 Cb 0.24 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.58 1n77 n ASP 182 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n77 n GLY 183 N 1.29 1.54 3.85 6.12 0.00 -0.78 -5.03 105.19 112.19 1n77 n GLY 183 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1n77 n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n77 s TYR 184 N -3.09 3.51 0.58 1.61 2.02 -1.26 -4.81 117.35 115.90 1n77 s TYR 184 Ca 0.00 1.11 -0.00 0.00 -0.37 0.00 0.00 57.07 57.81 1n77 s TYR 184 Cb 0.00 -2.43 0.04 0.00 -0.40 0.00 0.00 41.96 39.17 1n77 s TYR 184 CO 0.00 0.28 0.82 -1.25 -1.57 0.00 0.00 175.55 173.83 1n77 s PRO 185 N -2.45 2.47 0.33 -1.71 0.04 -1.26 0.91 135.00 133.33 1n77 s PRO 185 Ca 0.45 -0.68 0.07 0.00 0.04 0.00 0.00 61.00 60.88 1n77 s PRO 185 Cb -0.13 -2.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 1n77 s PRO 185 CO 0.20 -0.82 0.43 0.95 0.04 0.00 0.00 177.00 177.80 1n77 s THR 186 N -2.86 4.03 0.27 1.26 -4.23 -0.83 -4.78 115.64 108.51 1n77 s THR 186 Ca 0.58 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1n77 s THR 186 Cb -0.10 -3.39 0.27 0.00 1.34 0.00 0.00 72.50 70.62 1n77 s THR 186 CO 0.40 -0.17 1.69 0.22 -0.54 0.00 0.00 174.62 176.22 1n77 h TYR 187 N 0.96 0.50 -0.51 3.99 3.20 -1.93 -1.57 116.97 121.62 1n77 h TYR 187 Ca -0.46 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.55 1n77 h TYR 187 Cb 1.25 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 39.35 1n77 h TYR 187 CO 0.44 -0.06 -0.00 0.45 -1.64 0.00 0.00 178.16 177.36 1n77 h HIS 188 N 0.36 -0.04 0.08 -3.82 3.86 -1.92 0.50 115.15 114.16 1n77 h HIS 188 Ca 0.50 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1n77 h HIS 188 Cb 0.91 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1n77 h HIS 188 CO -0.19 -0.12 -0.04 1.25 0.86 0.00 0.00 177.93 179.70 1n77 h LEU 189 N 0.11 -0.09 -1.14 2.43 6.46 -1.56 -3.24 115.31 118.29 1n77 h LEU 189 Ca 0.26 -0.53 -0.01 0.00 -0.12 0.00 0.00 57.88 57.48 1n77 h LEU 189 Cb 0.39 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1n77 h LEU 189 CO -0.43 0.57 0.41 0.00 -0.62 0.00 0.00 178.44 178.37 1n77 h ALA 190 N -0.11 1.35 0.31 1.25 0.00 -1.17 -1.98 119.26 118.91 1n77 h ALA 190 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n77 h ALA 190 Cb 0.61 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1n77 h ALA 190 CO 0.02 0.54 -0.43 -0.97 0.00 0.00 0.00 179.25 178.41 1n77 h ASN 191 N 1.02 -1.21 0.36 0.00 -0.00 -0.12 0.14 115.58 115.77 1n77 h ASN 191 Ca 0.26 0.11 -0.02 0.00 -0.00 0.00 0.00 56.30 56.66 1n77 h ASN 191 Cb 0.01 0.42 0.00 0.00 -0.00 0.00 0.00 38.32 38.75 1n77 h ASN 191 CO -0.04 -0.55 -0.17 0.58 -0.00 0.00 0.00 177.43 177.24 1n77 h VAL 192 N -0.79 0.64 0.15 2.57 2.07 -1.55 0.11 116.25 119.45 1n77 h VAL 192 Ca -0.02 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1n77 h VAL 192 Cb 0.74 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1n77 h VAL 192 CO -0.14 0.00 -0.27 0.58 0.02 0.00 0.00 177.57 177.77 1n77 h VAL 193 N -0.50 0.41 -0.35 2.57 2.07 -1.33 -1.31 116.25 117.81 1n77 h VAL 193 Ca -0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1n77 h VAL 193 Cb 0.38 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1n77 h VAL 193 CO 0.08 0.00 -0.18 0.44 0.02 0.00 0.00 177.57 177.93 1n77 h ASP 194 N -0.50 0.66 -0.74 0.57 3.45 -0.95 -1.68 116.42 117.23 1n77 h ASP 194 Ca 0.02 -0.21 -0.06 0.00 0.43 0.00 0.00 57.03 57.21 1n77 h ASP 194 Cb 0.51 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.07 1n77 h ASP 194 CO -0.14 0.84 0.22 0.44 -1.57 0.00 0.00 179.24 179.04 1n77 h ASP 195 N 0.59 1.09 0.97 6.45 3.45 -0.64 -1.36 116.42 126.98 1n77 h ASP 195 Ca 0.09 -0.21 -0.05 0.00 0.43 0.00 0.00 57.03 57.29 1n77 h ASP 195 Cb 0.64 -0.29 0.01 0.00 -0.56 0.00 0.00 39.33 39.13 1n77 h ASP 195 CO 0.05 1.02 -0.47 -0.74 -1.57 0.00 0.00 179.24 177.53 1n77 h HIS 196 N 1.11 -1.21 -0.86 4.55 2.76 -0.91 0.01 115.15 120.60 1n77 h HIS 196 Ca 0.24 -0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.50 1n77 h HIS 196 Cb 0.33 0.40 -0.06 0.00 1.55 0.00 0.00 27.41 29.62 1n77 h HIS 196 CO 0.03 -0.75 0.56 -0.07 -1.30 0.00 0.00 177.93 176.39 1n77 h LEU 197 N -1.35 0.67 -0.79 0.26 4.07 -1.28 0.55 115.31 117.44 1n77 h LEU 197 Ca -0.13 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1n77 h LEU 197 Cb 1.00 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1n77 h LEU 197 CO 0.22 0.37 0.00 0.23 -1.08 0.00 0.00 178.44 178.18 1n77 n MET 198 N -4.54 1.51 -2.87 1.13 2.81 -0.52 -4.94 117.12 109.71 1n77 n MET 198 Ca 0.16 -0.78 -0.21 0.00 -1.81 0.00 0.00 57.70 55.06 1n77 n MET 198 Cb 0.40 -1.30 0.03 0.00 -0.71 0.00 0.00 33.22 31.65 1n77 n MET 198 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n77 n GLY 199 N 0.97 -0.46 3.73 3.03 0.00 0.18 -4.97 105.19 107.66 1n77 n GLY 199 Ca 0.13 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1n77 n GLY 199 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n77 s VAL 200 N -3.13 3.99 -0.04 1.61 -7.23 -0.06 -4.62 120.40 110.92 1n77 s VAL 200 Ca 0.24 1.62 0.13 0.00 -1.81 0.00 0.00 61.98 62.16 1n77 s VAL 200 Cb -0.10 -4.04 -0.20 0.00 0.56 0.00 0.00 36.38 32.60 1n77 s VAL 200 CO 0.29 0.24 0.24 0.35 -0.31 0.00 0.00 175.10 175.91 1n77 n THR 201 N 2.82 0.19 -3.88 5.32 -2.24 -0.61 -4.74 114.28 111.15 1n77 n THR 201 Ca 0.04 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1n77 n THR 201 Cb 0.47 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.54 1n77 n THR 201 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n77 s ASP 202 N -3.78 3.79 -0.44 3.42 1.01 -0.98 -0.48 116.67 119.20 1n77 s ASP 202 Ca -0.05 -1.25 -0.18 0.00 0.71 0.00 0.00 52.55 51.78 1n77 s ASP 202 Cb 0.08 -1.07 0.03 0.00 1.01 0.00 0.00 42.92 42.96 1n77 s ASP 202 CO 0.55 -0.28 0.48 -0.69 0.21 0.00 0.00 175.17 175.44 1n77 s VAL 203 N 1.47 5.05 -0.26 -1.27 1.01 0.25 -4.41 120.40 122.23 1n77 s VAL 203 Ca -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1n77 s VAL 203 Cb -0.18 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1n77 s VAL 203 CO -0.09 -0.50 0.00 -0.63 0.00 0.00 0.00 175.10 173.88 1n77 s ILE 204 N 2.23 3.46 0.23 2.22 1.01 -1.26 -0.39 121.20 128.69 1n77 s ILE 204 Ca 0.13 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 1n77 s ILE 204 Cb -0.17 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1n77 s ILE 204 CO 0.13 0.20 0.30 0.00 0.00 0.00 0.00 174.94 175.58 1n77 s ARG 205 N 1.43 1.38 0.43 2.79 3.03 -0.33 -4.92 118.95 122.77 1n77 s ARG 205 Ca 0.02 -1.46 -0.25 0.00 2.03 0.00 0.00 55.73 56.08 1n77 s ARG 205 Cb -0.16 0.37 -0.08 0.00 -1.03 0.00 0.00 34.95 34.05 1n77 s ARG 205 CO -0.01 -0.52 1.28 0.00 -1.13 0.00 0.00 175.30 174.92 1n77 s ALA 206 N -4.06 3.15 0.53 7.88 0.00 -1.26 -0.01 121.76 127.98 1n77 s ALA 206 Ca 0.31 1.19 0.21 0.00 0.00 0.00 0.00 51.96 53.67 1n77 s ALA 206 Cb 0.03 -3.48 1.15 0.00 0.00 0.00 0.00 23.12 20.83 1n77 s ALA 206 CO 0.11 -0.87 1.62 1.49 0.00 0.00 0.00 175.76 178.11 1n77 h GLU 207 N 2.40 0.00 0.00 0.00 4.81 0.27 -1.31 114.58 120.74 1n77 h GLU 207 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1n77 h GLU 207 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1n77 h GLU 207 CO 0.61 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 178.04 1n77 n GLU 208 N -2.63 0.16 0.00 1.92 0.28 -1.26 -1.69 120.64 117.43 1n77 n GLU 208 Ca -0.01 0.57 0.12 0.00 -0.16 0.00 0.00 57.16 57.68 1n77 n GLU 208 Cb 0.47 -1.95 0.13 0.00 1.43 0.00 0.00 31.44 31.53 1n77 n GLU 208 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1n77 n TRP 209 N -2.28 0.00 -0.19 -1.84 7.02 -0.49 -4.55 117.44 115.11 1n77 n TRP 209 Ca -0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1n77 n TRP 209 Cb 0.10 -0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.08 1n77 n TRP 209 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1n77 h LEU 210 N 3.94 0.00 -1.45 -0.99 5.85 -1.52 -1.58 115.31 119.56 1n77 h LEU 210 Ca 0.00 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1n77 h LEU 210 Cb 0.89 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1n77 h LEU 210 CO 0.00 0.02 -0.19 -0.37 -0.34 0.00 0.00 178.44 177.56 1n77 h VAL 211 N 0.25 0.56 0.00 1.05 -1.51 -1.81 -2.39 116.25 112.40 1n77 h VAL 211 Ca 0.29 -0.89 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1n77 h VAL 211 Cb 0.42 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1n77 h VAL 211 CO -0.38 0.18 -0.15 -1.54 -1.23 0.00 0.00 177.57 174.46 1n77 n SER 212 N -3.48 0.74 -0.28 4.19 3.41 -0.64 -4.05 113.62 113.51 1n77 n SER 212 Ca -0.01 0.46 0.07 0.00 -0.26 0.00 0.00 58.87 59.12 1n77 n SER 212 Cb 0.35 -0.55 0.21 0.00 -0.26 0.00 0.00 64.21 63.97 1n77 n SER 212 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1n77 h THR 213 N 0.00 0.69 0.00 6.66 2.02 -0.95 -0.34 112.91 120.98 1n77 h THR 213 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1n77 h THR 213 Cb 0.72 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1n77 h THR 213 CO 0.00 0.10 0.00 1.55 0.37 0.00 0.00 175.52 177.54 1n77 h PRO 214 N 0.53 0.00 -0.16 6.66 0.13 -1.78 -0.18 132.00 137.20 1n77 h PRO 214 Ca 0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.38 1n77 h PRO 214 Cb 0.66 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.80 1n77 h PRO 214 CO -0.39 0.00 -0.65 0.82 -0.23 0.00 0.00 178.00 177.55 1n77 h ILE 215 N 0.00 1.30 -0.42 -3.56 2.04 -1.32 -2.35 117.51 113.19 1n77 h ILE 215 Ca 0.00 -1.88 -0.15 0.00 1.00 0.00 0.00 64.86 63.83 1n77 h ILE 215 Cb 0.08 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1n77 h ILE 215 CO 0.00 0.59 -0.32 0.45 0.00 0.00 0.00 178.15 178.87 1n77 h HIS 216 N 0.44 1.14 -0.78 1.37 3.86 -1.02 -1.47 115.15 118.69 1n77 h HIS 216 Ca -0.04 -0.32 0.03 0.00 -1.16 0.00 0.00 60.37 58.89 1n77 h HIS 216 Cb 1.28 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 29.46 1n77 h HIS 216 CO 0.09 1.15 0.50 0.28 0.86 0.00 0.00 177.93 180.81 1n77 h VAL 217 N 0.80 1.12 -0.36 2.45 2.07 -1.11 -0.12 116.25 121.10 1n77 h VAL 217 Ca 0.08 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1n77 h VAL 217 Cb 0.92 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1n77 h VAL 217 CO 0.09 0.18 0.13 -0.07 0.02 0.00 0.00 177.57 177.91 1n77 h LEU 218 N 0.98 0.52 -0.67 2.57 4.07 -1.21 -1.89 115.31 119.67 1n77 h LEU 218 Ca 0.31 -0.19 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 1n77 h LEU 218 Cb 0.01 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 1n77 h LEU 218 CO -0.11 0.57 0.29 -0.07 -1.08 0.00 0.00 178.44 178.03 1n77 h LEU 219 N 0.44 0.92 -1.44 1.67 3.38 -0.68 0.23 115.31 119.84 1n77 h LEU 219 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1n77 h LEU 219 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1n77 h LEU 219 CO -0.01 0.82 0.04 1.88 0.09 0.00 0.00 178.44 181.27 1n77 h TYR 220 N 0.95 0.42 -0.01 1.13 -1.99 -0.92 -0.85 116.97 115.70 1n77 h TYR 220 Ca 0.23 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.93 1n77 h TYR 220 Cb 0.18 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.78 1n77 h TYR 220 CO 0.01 0.39 -0.00 -0.09 -0.00 0.00 0.00 178.16 178.47 1n77 h ARG 221 N 0.41 0.01 -0.79 4.88 2.43 -0.43 0.15 114.38 121.04 1n77 h ARG 221 Ca 0.10 -0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.41 1n77 h ARG 221 Cb 0.20 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.66 1n77 h ARG 221 CO 0.00 0.47 0.35 0.00 -1.51 0.00 0.00 179.97 179.28 1n77 h ALA 222 N 0.54 1.14 0.00 2.80 0.00 -0.05 0.64 119.26 124.34 1n77 h ALA 222 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n77 h ALA 222 Cb 0.47 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n77 h ALA 222 CO 0.00 -0.18 0.00 0.74 0.00 0.00 0.00 179.25 179.81 1n77 h PHE 223 N 0.50 0.00 -0.13 0.00 0.04 -1.15 -3.47 116.94 112.73 1n77 h PHE 223 Ca 0.43 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.18 1n77 h PHE 223 Cb 0.65 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 1n77 h PHE 223 CO -0.14 0.00 -0.03 0.41 -0.60 0.00 0.00 178.31 177.95 1n77 n GLY 224 N 0.93 0.40 3.93 -1.45 0.00 0.22 -5.04 105.19 104.16 1n77 n GLY 224 Ca 0.04 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 1n77 n GLY 224 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n77 s TRP 225 N -2.06 3.44 0.05 1.61 0.51 0.44 -5.02 118.94 117.91 1n77 s TRP 225 Ca 0.00 0.09 -0.29 0.00 -2.12 0.00 0.00 56.10 53.78 1n77 s TRP 225 Cb 0.00 -1.64 -0.05 0.00 -0.81 0.00 0.00 33.47 30.98 1n77 s TRP 225 CO 0.00 0.51 0.93 -2.00 -0.51 0.00 0.00 176.95 175.88 1n77 s GLU 226 N -3.26 4.60 0.38 4.98 2.12 -1.26 -4.39 118.70 121.86 1n77 s GLU 226 Ca 0.34 1.35 -0.24 0.00 0.36 0.00 0.00 54.97 56.78 1n77 s GLU 226 Cb -0.11 -3.41 -0.09 0.00 0.26 0.00 0.00 34.13 30.78 1n77 s GLU 226 CO 0.28 0.11 1.01 0.00 -0.54 0.00 0.00 175.26 176.12 1n77 s ALA 227 N 0.43 3.13 0.95 6.30 0.00 -1.26 -5.06 121.76 126.25 1n77 s ALA 227 Ca 0.47 0.62 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 1n77 s ALA 227 Cb -0.22 -3.23 0.21 0.00 0.00 0.00 0.00 23.12 19.87 1n77 s ALA 227 CO 0.28 -0.06 1.24 -0.35 0.00 0.00 0.00 175.76 176.87 1n77 n PRO 228 N 0.11 -1.05 -2.97 0.00 -0.04 -1.26 -5.04 135.00 124.74 1n77 n PRO 228 Ca 0.04 -2.14 -0.35 0.00 -0.04 0.00 0.00 63.50 61.01 1n77 n PRO 228 Cb 0.50 -1.21 -0.06 0.00 -0.04 0.00 0.00 33.50 32.69 1n77 n PRO 228 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1n77 s ARG 229 N -5.69 4.30 -0.14 0.54 0.52 0.36 -4.91 118.95 113.93 1n77 s ARG 229 Ca 0.72 1.01 -0.00 0.00 -0.52 0.00 0.00 55.73 56.93 1n77 s ARG 229 Cb -0.02 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 1n77 s ARG 229 CO 0.50 0.25 -0.13 -0.06 0.02 0.00 0.00 175.30 175.88 1n77 s PHE 230 N -1.74 2.82 -0.17 -0.53 0.08 -1.26 -0.58 117.98 116.60 1n77 s PHE 230 Ca 0.50 -0.72 -0.00 0.00 0.12 0.00 0.00 56.93 56.83 1n77 s PHE 230 Cb -0.15 -1.87 0.04 0.00 -0.57 0.00 0.00 43.02 40.47 1n77 s PHE 230 CO 0.20 -0.27 -0.06 0.71 -0.10 0.00 0.00 175.22 175.70 1n77 s TYR 231 N 0.49 1.77 -0.25 0.36 1.51 0.48 -0.12 117.35 121.59 1n77 s TYR 231 Ca -0.09 -1.12 -0.08 0.00 -1.01 0.00 0.00 57.07 54.76 1n77 s TYR 231 Cb -0.16 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1n77 s TYR 231 CO 0.04 -0.63 0.10 -1.01 -1.11 0.00 0.00 175.55 172.95 1n77 s HIS 232 N 1.61 3.15 0.15 2.71 3.76 -1.26 -1.18 115.29 124.23 1n77 s HIS 232 Ca 0.01 -0.19 -0.16 0.00 -0.15 0.00 0.00 55.06 54.57 1n77 s HIS 232 Cb -0.15 -2.25 -0.07 0.00 1.11 0.00 0.00 32.58 31.22 1n77 s HIS 232 CO -0.08 -0.22 0.58 -1.64 -0.85 0.00 0.00 174.74 172.54 1n77 s MET 233 N 1.43 4.05 0.58 1.40 -1.94 0.99 -4.70 119.30 121.12 1n77 s MET 233 Ca 0.06 0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 54.44 1n77 s MET 233 Cb -0.15 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 1n77 s MET 233 CO 0.05 0.49 1.15 -1.25 -0.01 0.00 0.00 175.02 175.45 1n77 s PRO 234 N -1.85 3.11 0.39 2.03 0.04 -1.26 0.92 135.00 138.38 1n77 s PRO 234 Ca 0.37 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 1n77 s PRO 234 Cb -0.16 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1n77 s PRO 234 CO 0.19 -1.05 1.12 -0.51 0.04 0.00 0.00 177.00 176.79 1n77 s LEU 235 N -4.08 4.20 0.30 -3.56 2.01 -1.26 -4.76 118.68 111.53 1n77 s LEU 235 Ca 0.73 2.23 -0.29 0.00 0.01 0.00 0.00 54.13 56.82 1n77 s LEU 235 Cb -0.26 -4.04 -0.10 0.00 0.01 0.00 0.00 46.19 41.80 1n77 s LEU 235 CO 0.31 -0.57 1.13 -0.76 1.01 0.00 0.00 176.35 177.47 1n77 s LEU 236 N -2.46 4.50 0.14 1.79 1.02 -1.26 -3.77 118.68 118.64 1n77 s LEU 236 Ca 0.56 2.31 0.11 0.00 0.02 0.00 0.00 54.13 57.13 1n77 s LEU 236 Cb -0.28 -3.68 -0.04 0.00 0.02 0.00 0.00 46.19 42.21 1n77 s LEU 236 CO 0.35 -0.24 -0.24 -0.13 0.02 0.00 0.00 176.35 176.11 1n77 s ARG 237 N -1.59 1.52 1.18 1.70 1.81 0.11 -0.34 118.95 123.34 1n77 s ARG 237 Ca 0.46 -1.33 -0.19 0.00 -1.72 0.00 0.00 55.73 52.95 1n77 s ARG 237 Cb -0.32 -1.95 0.28 0.00 -0.45 0.00 0.00 34.95 32.51 1n77 s ARG 237 CO 0.42 0.45 1.15 -0.80 -0.68 0.00 0.00 175.30 175.84 1n77 s ASN 238 N -2.18 1.10 0.49 0.23 0.01 0.64 -1.49 114.94 113.75 1n77 s ASN 238 Ca 0.16 0.50 0.22 0.00 -0.71 0.00 0.00 52.86 53.04 1n77 s ASN 238 Cb -0.10 -0.66 1.29 0.00 0.41 0.00 0.00 41.25 42.19 1n77 s ASN 238 CO 0.08 -4.00 2.04 -0.65 -1.51 0.00 0.00 177.10 173.06 1n77 h PRO 239 N -2.50 0.00 -0.60 -0.60 0.11 -1.85 -1.87 132.00 124.70 1n77 h PRO 239 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1n77 h PRO 239 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1n77 h PRO 239 CO 0.32 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 177.85 1n77 n ASP 240 N -3.90 2.04 0.00 -2.05 5.75 -1.26 -4.89 116.55 112.24 1n77 n ASP 240 Ca -0.02 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1n77 n ASP 240 Cb 0.24 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1n77 n ASP 240 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1n77 n LYS 241 N 0.22 0.00 -2.15 0.11 4.76 -0.70 -5.01 118.16 115.38 1n77 n LYS 241 Ca 0.09 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.21 1n77 n LYS 241 Cb 0.41 -2.85 -0.01 0.00 -1.84 0.00 0.00 35.03 30.74 1n77 n LYS 241 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1n77 s THR 242 N -2.85 4.62 0.05 -0.18 -4.23 -1.26 -4.69 115.64 107.10 1n77 s THR 242 Ca 0.00 1.05 -0.35 0.00 -1.18 0.00 0.00 61.69 61.21 1n77 s THR 242 Cb 0.00 -3.79 -0.14 0.00 1.34 0.00 0.00 72.50 69.91 1n77 s THR 242 CO 0.00 -0.91 1.65 2.29 -0.54 0.00 0.00 174.62 177.11 1n77 n LYS 243 N -2.14 1.97 -1.39 3.99 2.85 -1.26 -0.26 118.16 121.92 1n77 n LYS 243 Ca 0.06 0.71 -0.55 0.00 -1.05 0.00 0.00 58.31 57.49 1n77 n LYS 243 Cb 0.54 -2.49 -0.08 0.00 -0.65 0.00 0.00 35.03 32.36 1n77 n LYS 243 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1n77 n ILE 244 N 3.90 0.00 -4.19 0.58 3.06 0.53 -4.56 119.36 118.68 1n77 n ILE 244 Ca 0.19 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.33 1n77 n ILE 244 Cb 0.27 -0.07 -0.10 0.00 0.54 0.00 0.00 39.64 40.27 1n77 n ILE 244 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1n77 s SER 245 N 0.44 1.15 0.56 9.51 1.04 -1.26 -4.90 113.70 120.23 1n77 s SER 245 Ca 0.84 -1.07 0.37 0.00 0.48 0.00 0.00 55.95 56.57 1n77 s SER 245 Cb -1.18 0.11 2.02 0.00 0.10 0.00 0.00 66.02 67.07 1n77 s SER 245 CO 0.55 -0.51 2.13 0.50 0.98 0.00 0.00 173.24 176.90 1n77 h LYS 246 N 2.87 0.00 0.00 4.02 3.64 -1.93 -1.89 116.57 123.28 1n77 h LYS 246 Ca -0.36 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.65 1n77 h LYS 246 Cb 1.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 1n77 h LYS 246 CO 0.64 0.00 -2.35 0.54 -2.27 0.00 0.00 179.45 176.01 1n77 n ARG 247 N -2.81 0.68 0.01 1.90 5.12 -1.26 -4.43 116.66 115.86 1n77 n ARG 247 Ca -0.02 0.07 0.11 0.00 -1.93 0.00 0.00 57.85 56.08 1n77 n ARG 247 Cb 0.07 -1.55 0.10 0.00 -1.16 0.00 0.00 32.46 29.92 1n77 n ARG 247 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1n77 n LYS 248 N -2.95 0.11 -4.05 5.56 5.02 -1.19 -4.99 118.16 115.67 1n77 n LYS 248 Ca -0.36 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.80 1n77 n LYS 248 Cb 1.10 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 34.53 1n77 n LYS 248 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1n77 s SER 249 N -3.36 0.75 -0.43 4.39 0.01 -0.72 -4.65 113.70 109.69 1n77 s SER 249 Ca 0.08 -1.41 -0.14 0.00 1.31 0.00 0.00 55.95 55.78 1n77 s SER 249 Cb 0.16 0.68 0.04 0.00 0.21 0.00 0.00 66.02 67.11 1n77 s SER 249 CO 0.77 -1.33 0.32 -1.00 0.41 0.00 0.00 173.24 172.41 1n77 s HIS 250 N -3.03 3.25 -0.47 2.43 3.76 -1.26 -4.36 115.29 115.62 1n77 s HIS 250 Ca 0.28 -0.82 0.16 0.00 -0.15 0.00 0.00 55.06 54.53 1n77 s HIS 250 Cb -0.01 -2.80 -0.20 0.00 1.11 0.00 0.00 32.58 30.68 1n77 s HIS 250 CO 0.19 -0.69 0.55 0.25 -0.85 0.00 0.00 174.74 174.18 1n77 n THR 251 N 5.14 0.00 -2.70 1.30 -2.24 -1.26 -4.94 114.28 109.58 1n77 n THR 251 Ca -0.12 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 1n77 n THR 251 Cb 0.45 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 1n77 n THR 251 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n77 s SER 252 N -2.99 7.04 0.53 3.42 0.15 -1.26 -0.71 113.70 119.88 1n77 s SER 252 Ca 0.01 1.29 0.20 0.00 0.70 0.00 0.00 55.95 58.15 1n77 s SER 252 Cb 0.11 -2.52 1.37 0.00 -1.71 0.00 0.00 66.02 63.27 1n77 s SER 252 CO 0.65 -0.66 2.13 -0.07 1.20 0.00 0.00 173.24 176.48 1n77 h LEU 253 N 9.46 0.00 -1.21 3.45 3.38 -1.06 -0.74 115.31 128.60 1n77 h LEU 253 Ca -0.20 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1n77 h LEU 253 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1n77 h LEU 253 CO 0.97 0.00 -0.36 0.44 0.09 0.00 0.00 178.44 179.57 1n77 h ASP 254 N 0.00 0.00 -0.48 -0.43 3.45 -1.91 -1.95 116.42 115.09 1n77 h ASP 254 Ca 0.05 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.39 1n77 h ASP 254 Cb 0.23 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 1n77 h ASP 254 CO -0.00 0.36 -0.20 -0.25 -1.57 0.00 0.00 179.24 177.59 1n77 h TRP 255 N 0.00 1.13 -0.43 4.55 7.01 -1.52 -0.39 115.95 126.30 1n77 h TRP 255 Ca -0.00 -0.27 -0.05 0.00 2.11 0.00 0.00 58.89 60.67 1n77 h TRP 255 Cb 0.73 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 1n77 h TRP 255 CO 0.00 1.09 0.06 1.88 -2.79 0.00 0.00 178.44 178.69 1n77 h TYR 256 N 0.84 0.76 -0.20 2.65 -1.99 -1.35 -0.15 116.97 117.52 1n77 h TYR 256 Ca 0.11 -0.11 -0.10 0.00 2.00 0.00 0.00 58.73 60.64 1n77 h TYR 256 Cb 0.77 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 1n77 h TYR 256 CO 0.05 0.73 -0.29 -0.22 -0.00 0.00 0.00 178.16 178.43 1n77 h LYS 257 N 0.56 0.40 -0.21 4.88 3.64 -1.31 -2.12 116.57 122.41 1n77 h LYS 257 Ca 0.13 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1n77 h LYS 257 Cb 0.38 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1n77 h LYS 257 CO 0.01 0.65 -0.43 0.00 -2.27 0.00 0.00 179.45 177.41 1n77 h ALA 258 N 1.35 0.87 0.00 5.00 0.00 -0.68 -3.02 119.26 122.78 1n77 h ALA 258 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1n77 h ALA 258 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1n77 h ALA 258 CO 0.05 0.65 0.00 0.39 0.00 0.00 0.00 179.25 180.34 1n77 n GLU 259 N -4.01 0.44 -0.49 0.00 -0.58 -0.10 -4.89 120.64 111.00 1n77 n GLU 259 Ca -0.02 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1n77 n GLU 259 Cb 0.52 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1n77 n GLU 259 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n77 n GLY 260 N 0.87 0.70 3.74 0.62 0.00 -1.13 -3.82 105.19 106.17 1n77 n GLY 260 Ca 0.13 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1n77 n GLY 260 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n77 s PHE 261 N -2.00 3.90 0.00 1.61 0.40 -0.82 -1.12 117.98 119.95 1n77 s PHE 261 Ca 0.00 1.84 -0.30 0.00 -0.60 0.00 0.00 56.93 57.87 1n77 s PHE 261 Cb 0.00 -3.00 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 1n77 s PHE 261 CO 0.00 0.35 0.98 -0.51 0.70 0.00 0.00 175.22 176.74 1n77 s LEU 262 N -0.63 4.37 0.34 -0.37 1.43 -1.26 -4.61 118.68 117.95 1n77 s LEU 262 Ca 0.43 1.66 0.10 0.00 -1.03 0.00 0.00 54.13 55.30 1n77 s LEU 262 Cb -0.25 -3.57 0.86 0.00 0.03 0.00 0.00 46.19 43.27 1n77 s LEU 262 CO 0.30 -0.26 1.78 1.55 0.23 0.00 0.00 176.35 179.95 1n77 h PRO 263 N 6.79 0.62 -0.54 1.29 0.13 -1.95 0.72 132.00 139.06 1n77 h PRO 263 Ca -0.41 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1n77 h PRO 263 Cb 1.22 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1n77 h PRO 263 CO 0.75 0.41 0.34 0.93 -0.23 0.00 0.00 178.00 180.20 1n77 h GLU 264 N 0.63 0.66 -0.26 0.86 3.07 -1.86 0.61 114.58 118.28 1n77 h GLU 264 Ca 0.58 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.37 1n77 h GLU 264 Cb 1.08 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1n77 h GLU 264 CO -0.35 0.43 0.04 0.00 -1.40 0.00 0.00 179.01 177.73 1n77 h ALA 265 N 1.22 0.35 -0.78 3.43 0.00 -1.29 -0.72 119.26 121.46 1n77 h ALA 265 Ca 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1n77 h ALA 265 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1n77 h ALA 265 CO -0.08 0.03 0.38 1.25 0.00 0.00 0.00 179.25 180.84 1n77 h LEU 266 N 0.24 1.02 -0.76 0.00 5.85 -0.83 0.52 115.31 121.35 1n77 h LEU 266 Ca 0.08 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1n77 h LEU 266 Cb 0.33 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1n77 h LEU 266 CO 0.01 0.86 0.02 -0.09 -0.34 0.00 0.00 178.44 178.90 1n77 h ARG 267 N 1.10 0.96 -0.46 1.25 2.43 -0.74 -0.90 114.38 118.02 1n77 h ARG 267 Ca 0.27 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1n77 h ARG 267 Cb 0.11 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1n77 h ARG 267 CO -0.03 0.93 -0.21 -0.97 -1.51 0.00 0.00 179.97 178.18 1n77 h ASN 268 N 0.89 0.99 -0.47 -3.80 -0.00 -0.51 -2.48 115.58 110.20 1n77 h ASN 268 Ca 0.17 -0.40 -0.05 0.00 -0.00 0.00 0.00 56.30 56.02 1n77 h ASN 268 Cb 0.49 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.52 1n77 h ASN 268 CO 0.02 1.16 0.12 0.22 -0.00 0.00 0.00 177.43 178.95 1n77 h TYR 269 N 0.81 0.79 -0.34 0.67 3.20 -0.65 -2.50 116.97 118.95 1n77 h TYR 269 Ca 0.11 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1n77 h TYR 269 Cb 0.78 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1n77 h TYR 269 CO 0.05 0.72 0.23 -0.07 -1.64 0.00 0.00 178.16 177.46 1n77 h LEU 270 N 0.64 0.22 -1.15 2.82 4.07 -1.00 -0.32 115.31 120.59 1n77 h LEU 270 Ca 0.15 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.03 1n77 h LEU 270 Cb 0.32 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1n77 h LEU 270 CO 0.00 0.15 -0.29 0.00 -1.08 0.00 0.00 178.44 177.22 1n77 n LEU 272 N -4.13 0.00 -3.86 0.00 4.32 -0.14 -2.51 117.00 110.68 1n77 n LEU 272 Ca -0.01 0.49 -0.42 0.00 -0.02 0.00 0.00 56.01 56.04 1n77 n LEU 272 Cb 0.39 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1n77 n LEU 272 CO 0.40 -0.21 2.35 0.23 -1.22 0.00 0.00 177.39 178.94 1n77 n MET 273 N -1.49 3.15 0.00 3.23 2.81 -0.66 -3.87 117.12 120.30 1n77 n MET 273 Ca 0.04 -3.00 0.00 0.00 -1.81 0.00 0.00 57.70 52.93 1n77 n MET 273 Cb 0.19 -3.17 0.00 0.00 -0.71 0.00 0.00 33.22 29.53 1n77 n MET 273 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n77 n GLY 274 N 3.75 1.06 3.02 3.03 0.00 -1.26 -4.98 105.19 109.81 1n77 n GLY 274 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 1n77 n GLY 274 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n77 s PHE 275 N -2.00 0.40 -0.06 1.61 2.19 -1.04 -0.08 117.98 119.01 1n77 s PHE 275 Ca 0.00 -0.63 -0.13 0.00 0.33 0.00 0.00 56.93 56.49 1n77 s PHE 275 Cb 0.00 -0.28 0.03 0.00 -1.31 0.00 0.00 43.02 41.46 1n77 s PHE 275 CO 0.00 -0.20 0.32 -1.54 1.83 0.00 0.00 175.22 175.62 1n77 s SER 276 N -1.80 -0.25 0.33 6.13 1.04 -1.20 -4.10 113.70 113.86 1n77 s SER 276 Ca -0.10 0.32 -0.26 0.00 0.48 0.00 0.00 55.95 56.39 1n77 s SER 276 Cb -0.06 0.46 -0.10 0.00 0.10 0.00 0.00 66.02 66.43 1n77 s SER 276 CO -0.02 -0.31 0.99 -0.04 0.98 0.00 0.00 173.24 174.83 1n77 s MET 277 N -0.70 4.50 0.24 4.02 -1.94 -1.26 -4.91 119.30 119.25 1n77 s MET 277 Ca -0.08 1.43 -0.11 0.00 -1.71 0.00 0.00 55.69 55.23 1n77 s MET 277 Cb -0.04 -2.80 0.35 0.00 2.01 0.00 0.00 34.83 34.35 1n77 s MET 277 CO 0.03 0.18 1.60 -1.35 -0.01 0.00 0.00 175.02 175.46 1n77 h PRO 278 N 3.11 0.00 0.00 2.03 0.11 -1.94 0.74 132.00 136.06 1n77 h PRO 278 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n77 h PRO 278 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n77 h PRO 278 CO 0.65 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1n77 n ASP 279 N -5.52 0.00 -0.18 -2.05 3.85 -1.26 -4.88 116.55 106.51 1n77 n ASP 279 Ca 0.12 -1.55 -0.02 0.00 -0.71 0.00 0.00 54.79 52.62 1n77 n ASP 279 Cb 0.42 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.18 1n77 n ASP 279 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n77 n GLY 280 N 0.61 0.38 3.75 6.12 0.00 0.26 -4.96 105.19 111.34 1n77 n GLY 280 Ca 0.08 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1n77 n GLY 280 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n77 s ARG 281 N -1.67 4.36 -0.04 1.61 3.52 -1.26 -4.89 118.95 120.58 1n77 s ARG 281 Ca 0.00 2.17 0.20 0.00 -0.13 0.00 0.00 55.73 57.97 1n77 s ARG 281 Cb 0.00 -3.12 -0.31 0.00 -1.56 0.00 0.00 34.95 29.96 1n77 s ARG 281 CO 0.00 -0.25 0.42 0.39 -0.81 0.00 0.00 175.30 175.05 1n77 n GLU 282 N 1.79 0.64 -3.70 5.12 1.02 -1.26 -4.40 120.64 119.85 1n77 n GLU 282 Ca 0.04 -0.17 -0.37 0.00 -0.02 0.00 0.00 57.16 56.63 1n77 n GLU 282 Cb 0.42 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 1n77 n GLU 282 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n77 s ILE 283 N -3.34 4.67 0.20 -3.67 -1.09 -1.26 -4.95 121.20 111.76 1n77 s ILE 283 Ca -0.08 -0.05 -0.18 0.00 -2.23 0.00 0.00 60.65 58.12 1n77 s ILE 283 Cb 0.12 -3.20 0.03 0.00 -1.58 0.00 0.00 42.46 37.83 1n77 s ILE 283 CO 0.84 0.31 0.53 0.72 -1.23 0.00 0.00 174.94 176.11 1n77 s PHE 284 N 1.65 -0.10 0.64 3.97 -0.71 -1.26 -5.18 117.98 116.99 1n77 s PHE 284 Ca 0.07 -0.25 -0.06 0.00 -1.04 0.00 0.00 56.93 55.65 1n77 s PHE 284 Cb -0.15 0.40 0.03 0.00 -1.21 0.00 0.00 43.02 42.09 1n77 s PHE 284 CO 0.06 -0.94 0.94 0.95 -1.34 0.00 0.00 175.22 174.89 1n77 s THR 285 N -3.88 2.99 0.20 -4.49 -4.23 -1.26 -4.87 115.64 100.10 1n77 s THR 285 Ca 0.10 -0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.35 1n77 s THR 285 Cb -0.01 -3.22 0.14 0.00 1.34 0.00 0.00 72.50 70.74 1n77 s THR 285 CO -0.02 -0.23 1.78 0.25 -0.54 0.00 0.00 174.62 175.87 1n77 h LEU 286 N -0.34 0.99 -0.66 4.79 6.46 -1.98 -1.65 115.31 122.92 1n77 h LEU 286 Ca -0.45 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.10 1n77 h LEU 286 Cb 1.29 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.93 1n77 h LEU 286 CO 0.60 0.86 0.14 -0.08 -0.62 0.00 0.00 178.44 179.35 1n77 h GLU 287 N 1.05 1.06 -0.06 1.25 4.57 -2.00 -1.99 114.58 118.46 1n77 h GLU 287 Ca 0.25 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1n77 h GLU 287 Cb 0.15 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1n77 h GLU 287 CO -0.03 0.96 -0.21 0.93 -1.18 0.00 0.00 179.01 179.49 1n77 h GLU 288 N 0.99 0.10 -0.03 1.92 5.08 -1.86 -2.29 114.58 118.48 1n77 h GLU 288 Ca 0.20 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1n77 h GLU 288 Cb 0.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1n77 h GLU 288 CO 0.01 0.31 0.00 0.35 -1.00 0.00 0.00 179.01 178.68 1n77 h PHE 289 N 0.09 0.06 -0.52 4.33 3.57 -0.66 -1.69 116.94 122.12 1n77 h PHE 289 Ca 0.02 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1n77 h PHE 289 Cb 0.42 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 1n77 h PHE 289 CO 0.00 0.32 0.12 0.82 -2.23 0.00 0.00 178.31 177.35 1n77 h ILE 290 N -0.22 0.73 -0.06 1.41 2.04 -1.03 -0.47 117.51 119.91 1n77 h ILE 290 Ca 0.01 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 1n77 h ILE 290 Cb 0.30 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1n77 h ILE 290 CO 0.00 0.05 -0.51 1.56 0.00 0.00 0.00 178.15 179.25 1n77 h GLN 291 N 0.27 0.17 -0.01 2.37 4.20 -1.33 -3.10 115.11 117.68 1n77 h GLN 291 Ca 0.26 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1n77 h GLN 291 Cb 0.34 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1n77 h GLN 291 CO -0.32 0.65 -0.29 0.00 -0.67 0.00 0.00 178.83 178.20 1n77 n ALA 292 N -2.46 3.16 -1.78 3.87 0.00 -0.64 -4.97 120.51 117.67 1n77 n ALA 292 Ca -0.02 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 1n77 n ALA 292 Cb 0.55 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 1n77 n ALA 292 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1n77 s PHE 293 N -2.44 2.74 -0.28 0.00 5.36 -0.22 -4.98 117.98 118.16 1n77 s PHE 293 Ca 0.24 1.06 -0.15 0.00 -0.96 0.00 0.00 56.93 57.11 1n77 s PHE 293 Cb 0.19 -3.97 0.10 0.00 -0.34 0.00 0.00 43.02 38.99 1n77 s PHE 293 CO 0.51 -3.01 0.73 0.99 -1.46 0.00 0.00 175.22 172.99 1n77 s THR 294 N -0.64 -0.11 -1.45 0.12 2.01 -1.26 -5.01 115.64 109.29 1n77 s THR 294 Ca 0.56 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.60 1n77 s THR 294 Cb -0.46 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.11 1n77 s THR 294 CO 0.55 0.00 0.92 0.79 -0.69 0.00 0.00 174.62 176.19 1n77 n TRP 295 N 4.36 0.00 0.08 4.92 7.02 -1.26 -0.87 117.44 131.70 1n77 n TRP 295 Ca -0.19 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.21 1n77 n TRP 295 Cb 0.58 -0.28 -0.04 0.00 -2.42 0.00 0.00 31.31 29.15 1n77 n TRP 295 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1n77 h GLU 296 N 0.00 0.11 -0.80 -0.99 5.08 -1.99 -3.25 114.58 112.73 1n77 h GLU 296 Ca 0.00 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 1n77 h GLU 296 Cb 0.03 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.19 1n77 h GLU 296 CO 0.00 0.96 0.29 0.54 -1.00 0.00 0.00 179.01 179.80 1n77 n ARG 297 N -3.55 3.41 -3.69 2.33 1.74 -0.05 -4.87 116.66 111.99 1n77 n ARG 297 Ca -0.03 -2.82 -0.37 0.00 -0.77 0.00 0.00 57.85 53.86 1n77 n ARG 297 Cb 0.86 -2.14 -0.12 0.00 -1.02 0.00 0.00 32.46 30.03 1n77 n ARG 297 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n77 s VAL 298 N -2.81 4.58 0.50 1.55 1.01 -1.23 -3.22 120.40 120.79 1n77 s VAL 298 Ca 0.51 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1n77 s VAL 298 Cb 0.41 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1n77 s VAL 298 CO 0.12 0.24 0.87 -0.94 0.00 0.00 0.00 175.10 175.40 1n77 s SER 299 N 1.64 6.36 -0.07 3.32 1.04 0.89 -4.99 113.70 121.90 1n77 s SER 299 Ca 0.06 1.19 0.13 0.00 0.48 0.00 0.00 55.95 57.81 1n77 s SER 299 Cb -0.16 -2.36 0.40 0.00 0.10 0.00 0.00 66.02 64.00 1n77 s SER 299 CO 0.06 -0.61 1.33 0.18 0.98 0.00 0.00 173.24 175.17 1n77 n LEU 300 N -2.07 3.33 -4.84 2.42 4.77 -1.26 -4.78 117.00 114.57 1n77 n LEU 300 Ca 0.03 -2.37 -0.32 0.00 -0.03 0.00 0.00 56.01 53.32 1n77 n LEU 300 Cb 0.54 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1n77 n LEU 300 CO 0.52 0.71 0.65 -0.83 -1.33 0.00 0.00 177.39 177.12 1n77 s GLY 301 N -1.32 2.09 -0.66 -0.72 0.00 -1.26 -4.80 107.32 100.66 1n77 s GLY 301 Ca 0.31 0.16 -0.27 0.00 0.00 0.00 0.00 44.72 44.92 1n77 s GLY 301 CO 0.14 0.43 1.49 -0.32 0.00 0.00 0.00 173.10 174.83 1n77 s GLY 302 N -2.97 0.68 0.25 0.20 0.00 -1.26 -4.83 107.32 99.39 1n77 s GLY 302 Ca 0.58 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 44.03 1n77 s GLY 302 CO 0.29 2.92 1.30 2.56 0.00 0.00 0.00 173.10 180.17 1n77 s PRO 303 N 6.07 4.39 0.05 2.90 0.04 -1.25 -4.72 135.00 142.48 1n77 s PRO 303 Ca 0.49 2.10 -0.23 0.00 0.04 0.00 0.00 61.00 63.40 1n77 s PRO 303 Cb -0.10 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 1n77 s PRO 303 CO 0.19 -0.20 0.70 0.08 0.04 0.00 0.00 177.00 177.81 1n77 s VAL 304 N -0.38 4.73 -0.51 -0.36 1.01 -1.26 0.07 120.40 123.70 1n77 s VAL 304 Ca 0.53 1.49 -0.26 0.00 0.00 0.00 0.00 61.98 63.75 1n77 s VAL 304 Cb -0.37 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 31.99 1n77 s VAL 304 CO 0.43 0.42 0.97 0.12 0.00 0.00 0.00 175.10 177.05 1n77 s PHE 305 N -0.37 2.84 -0.55 5.22 2.19 -0.55 -4.88 117.98 121.87 1n77 s PHE 305 Ca 0.35 0.28 -0.19 0.00 0.33 0.00 0.00 56.93 57.70 1n77 s PHE 305 Cb -0.20 -4.09 0.09 0.00 -1.31 0.00 0.00 43.02 37.50 1n77 s PHE 305 CO 0.21 -1.25 0.65 0.34 1.83 0.00 0.00 175.22 177.00 1n77 s ASP 306 N 2.54 6.19 0.20 6.13 3.68 -1.26 -4.75 116.67 129.40 1n77 s ASP 306 Ca 0.36 -1.28 -0.11 0.00 2.13 0.00 0.00 52.55 53.65 1n77 s ASP 306 Cb -0.10 -2.29 0.15 0.00 -1.45 0.00 0.00 42.92 39.23 1n77 s ASP 306 CO 0.24 -1.00 1.84 0.25 0.13 0.00 0.00 175.17 176.64 1n77 h LEU 307 N 9.75 0.68 -0.77 -1.34 5.85 -1.99 -1.97 115.31 125.52 1n77 h LEU 307 Ca -0.29 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.52 1n77 h LEU 307 Cb 1.09 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.90 1n77 h LEU 307 CO 1.04 0.47 0.41 -0.33 -0.34 0.00 0.00 178.44 179.70 1n77 h GLU 308 N 0.81 0.67 -0.14 1.25 4.39 -2.00 0.71 114.58 120.28 1n77 h GLU 308 Ca 0.26 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.81 1n77 h GLU 308 Cb -0.00 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1n77 h GLU 308 CO -0.09 0.44 -0.36 -0.22 -1.16 0.00 0.00 179.01 177.62 1n77 h LYS 309 N 0.69 0.28 -0.41 2.33 3.64 -1.80 -1.51 116.57 119.80 1n77 h LYS 309 Ca 0.37 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1n77 h LYS 309 Cb 0.37 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1n77 h LYS 309 CO -0.26 0.61 0.13 1.25 -2.27 0.00 0.00 179.45 178.92 1n77 h LEU 310 N 0.24 0.59 -0.21 5.20 6.46 -0.45 -0.64 115.31 126.50 1n77 h LEU 310 Ca 0.03 -0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.61 1n77 h LEU 310 Cb 0.75 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1n77 h LEU 310 CO 0.06 0.63 0.07 0.03 -0.62 0.00 0.00 178.44 178.61 1n77 h ARG 311 N 0.51 0.17 -0.17 1.25 3.08 -0.55 0.42 114.38 119.10 1n77 h ARG 311 Ca 0.13 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.22 1n77 h ARG 311 Cb 0.25 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 1n77 h ARG 311 CO -0.01 0.11 -0.26 2.35 -1.07 0.00 0.00 179.97 181.10 1n77 h TRP 312 N 0.18 -0.69 -0.74 3.04 7.01 -1.01 0.34 115.95 124.07 1n77 h TRP 312 Ca 0.09 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.17 1n77 h TRP 312 Cb 0.06 0.33 -0.05 0.00 -2.10 0.00 0.00 29.16 27.40 1n77 h TRP 312 CO -0.12 -0.34 0.45 1.98 -2.79 0.00 0.00 178.44 177.63 1n77 h MET 313 N -0.30 0.83 -0.50 2.65 4.05 -0.35 -0.26 114.93 121.05 1n77 h MET 313 Ca 0.11 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1n77 h MET 313 Cb 0.47 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 1n77 h MET 313 CO -0.34 0.55 0.32 -0.97 0.23 0.00 0.00 176.91 176.70 1n77 h ASN 314 N 0.85 0.55 -0.58 1.39 -1.24 0.77 -0.92 115.58 116.40 1n77 h ASN 314 Ca 0.31 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.29 1n77 h ASN 314 Cb 0.10 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 1n77 h ASN 314 CO -0.14 0.40 0.29 1.23 -1.29 0.00 0.00 177.43 177.92 1n77 h GLY 315 N 0.66 0.92 1.10 1.57 0.00 -0.21 -1.27 103.07 105.83 1n77 h GLY 315 Ca 0.19 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1n77 h GLY 315 CO -0.05 0.41 0.37 1.70 0.00 0.00 0.00 176.54 178.96 1n77 h LYS 316 N 0.86 1.16 -0.22 4.80 1.63 -0.05 -1.17 116.57 123.58 1n77 h LYS 316 Ca 0.21 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1n77 h LYS 316 Cb 0.09 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1n77 h LYS 316 CO -0.03 0.90 -0.09 1.88 -3.45 0.00 0.00 179.45 178.67 1n77 h TYR 317 N 1.14 0.52 -0.80 1.91 0.05 -0.58 0.10 116.97 119.32 1n77 h TYR 317 Ca 0.27 -0.12 0.08 0.00 0.05 0.00 0.00 58.73 59.01 1n77 h TYR 317 Cb 0.14 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 37.69 1n77 h TYR 317 CO 0.02 0.72 0.46 0.82 -1.05 0.00 0.00 178.16 179.13 1n77 h ILE 318 N 0.17 0.94 0.00 -2.88 2.04 -0.90 -1.64 117.51 115.24 1n77 h ILE 318 Ca 0.05 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1n77 h ILE 318 Cb 0.57 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1n77 h ILE 318 CO 0.03 0.15 -1.09 -2.11 0.00 0.00 0.00 178.15 175.12 1n77 n ARG 319 N -4.73 0.15 0.00 2.37 1.85 -0.47 -4.58 116.66 111.24 1n77 n ARG 319 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1n77 n ARG 319 Cb 0.24 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.16 1n77 n ARG 319 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1n77 n GLU 320 N -1.57 3.20 -0.08 2.89 1.02 0.35 -4.92 120.64 121.53 1n77 n GLU 320 Ca 0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.01 1n77 n GLU 320 Cb 0.35 -0.57 -0.06 0.00 -0.02 0.00 0.00 31.44 31.14 1n77 n GLU 320 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1n77 n VAL 321 N -0.76 0.90 -2.42 2.62 0.31 -0.79 -5.00 118.33 113.20 1n77 n VAL 321 Ca 0.00 -0.26 -0.32 0.00 -0.01 0.00 0.00 64.34 63.75 1n77 n VAL 321 Cb 0.00 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 1n77 n VAL 321 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1n77 s LEU 322 N -6.63 3.63 0.69 7.52 1.43 -0.69 -5.06 118.68 119.58 1n77 s LEU 322 Ca -0.22 1.52 -0.09 0.00 -1.03 0.00 0.00 54.13 54.30 1n77 s LEU 322 Cb 0.08 -4.46 0.03 0.00 0.03 0.00 0.00 46.19 41.87 1n77 s LEU 322 CO 0.31 -0.58 1.05 -0.94 0.23 0.00 0.00 176.35 176.41 1n77 s SER 323 N -3.13 5.22 0.14 2.29 1.04 -1.26 -4.81 113.70 113.19 1n77 s SER 323 Ca 0.58 0.85 -0.19 0.00 0.48 0.00 0.00 55.95 57.67 1n77 s SER 323 Cb -0.10 -1.62 0.01 0.00 0.10 0.00 0.00 66.02 64.40 1n77 s SER 323 CO 0.32 -1.40 1.71 0.25 0.98 0.00 0.00 173.24 175.10 1n77 h LEU 324 N -0.59 -0.12 -1.11 2.42 5.85 -1.97 -1.98 115.31 117.82 1n77 h LEU 324 Ca -0.45 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.39 1n77 h LEU 324 Cb 1.28 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.36 1n77 h LEU 324 CO 0.63 -0.03 0.60 -0.33 -0.34 0.00 0.00 178.44 178.97 1n77 h GLU 325 N 0.07 1.05 -0.51 1.25 3.07 -1.96 -1.82 114.58 115.72 1n77 h GLU 325 Ca 0.12 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 1n77 h GLU 325 Cb 0.16 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1n77 h GLU 325 CO -0.21 0.69 0.04 0.93 -1.40 0.00 0.00 179.01 179.06 1n77 h GLU 326 N 1.08 0.87 -0.37 2.33 5.08 -1.75 -2.20 114.58 119.62 1n77 h GLU 326 Ca 0.40 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1n77 h GLU 326 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1n77 h GLU 326 CO -0.15 0.88 0.12 0.28 -1.00 0.00 0.00 179.01 179.15 1n77 h VAL 327 N 0.74 1.21 -0.85 3.13 2.07 -1.00 -1.55 116.25 119.99 1n77 h VAL 327 Ca 0.15 -0.68 0.13 0.00 0.82 0.00 0.00 66.70 67.12 1n77 h VAL 327 Cb 0.47 0.95 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 1n77 h VAL 327 CO 0.02 0.24 0.45 0.00 0.02 0.00 0.00 177.57 178.30 1n77 h ALA 328 N 0.96 1.26 -0.29 1.67 0.00 -1.18 -0.02 119.26 121.66 1n77 h ALA 328 Ca 0.12 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1n77 h ALA 328 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1n77 h ALA 328 CO -0.00 -0.03 -0.08 1.49 0.00 0.00 0.00 179.25 180.62 1n77 h GLU 329 N 0.68 0.57 0.00 0.00 4.57 -1.03 -3.13 114.58 116.23 1n77 h GLU 329 Ca 0.45 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1n77 h GLU 329 Cb 0.58 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1n77 h GLU 329 CO -0.33 0.77 0.00 0.00 -1.18 0.00 0.00 179.01 178.27 1n77 h ARG 330 N 0.32 0.00 0.00 1.92 3.08 -0.33 -2.88 114.38 116.50 1n77 h ARG 330 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1n77 h ARG 330 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1n77 h ARG 330 CO 0.03 0.00 -0.44 -0.24 -1.07 0.00 0.00 179.97 178.25 1n77 h VAL 331 N 0.00 0.02 -0.18 2.04 3.04 -0.99 -3.39 116.25 116.80 1n77 h VAL 331 Ca 0.00 -1.03 0.05 0.00 -1.01 0.00 0.00 66.70 64.71 1n77 h VAL 331 Cb 0.50 1.80 -0.06 0.00 -2.01 0.00 0.00 31.29 31.52 1n77 h VAL 331 CO 0.00 0.01 -0.23 0.11 -1.01 0.00 0.00 177.57 176.45 1n77 h LYS 332 N 0.00 -0.25 -0.98 4.17 1.57 -1.48 -2.21 116.57 117.38 1n77 h LYS 332 Ca -0.00 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.99 1n77 h LYS 332 Cb 1.01 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.27 1n77 h LYS 332 CO 0.00 -0.17 0.58 -1.35 -0.57 0.00 0.00 179.45 177.94 1n77 h PRO 333 N -0.26 0.69 -0.04 3.15 0.11 -1.78 0.08 132.00 133.94 1n77 h PRO 333 Ca 0.12 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 1n77 h PRO 333 Cb 0.44 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1n77 h PRO 333 CO -0.33 0.46 -0.54 0.74 -0.21 0.00 0.00 178.00 178.11 1n77 h PHE 334 N 0.71 0.16 -0.17 0.65 0.04 -1.67 0.95 116.94 117.61 1n77 h PHE 334 Ca 0.57 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 61.21 1n77 h PHE 334 Cb 0.91 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 1n77 h PHE 334 CO -0.02 0.64 -0.21 -0.07 -0.60 0.00 0.00 178.31 178.04 1n77 h LEU 335 N 0.10 0.49 -1.23 1.54 3.38 -0.56 -2.39 115.31 116.64 1n77 h LEU 335 Ca -0.00 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1n77 h LEU 335 Cb 0.99 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1n77 h LEU 335 CO 0.08 0.89 0.53 0.03 0.09 0.00 0.00 178.44 180.06 1n77 h ARG 336 N 0.10 1.02 0.00 1.13 3.08 -0.72 -0.99 114.38 118.00 1n77 h ARG 336 Ca 0.02 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1n77 h ARG 336 Cb 0.77 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1n77 h ARG 336 CO 0.05 0.67 -0.14 1.49 -1.07 0.00 0.00 179.97 180.98 1n77 h GLU 337 N 1.05 0.00 -0.46 0.04 4.81 -0.68 -2.41 114.58 116.93 1n77 h GLU 337 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1n77 h GLU 337 Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1n77 h GLU 337 CO -0.07 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 178.35 1n77 n ALA 338 N -2.19 2.43 -1.38 2.92 0.00 -0.47 -4.92 120.51 116.89 1n77 n ALA 338 Ca -0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 1n77 n ALA 338 Cb 0.35 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 1n77 n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n77 n GLY 339 N 1.32 1.23 3.88 0.00 0.00 -0.91 -5.01 105.19 105.70 1n77 n GLY 339 Ca 0.17 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 1n77 n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n77 s LEU 340 N -2.73 3.92 0.00 0.99 1.43 -0.63 -5.03 118.68 116.63 1n77 s LEU 340 Ca 0.00 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1n77 s LEU 340 Cb 0.00 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1n77 s LEU 340 CO 0.00 -0.12 0.04 -0.55 0.23 0.00 0.00 176.35 175.95 1n77 s SER 341 N -3.92 0.10 0.09 2.29 0.15 -1.26 -4.01 113.70 107.13 1n77 s SER 341 Ca 0.35 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.77 1n77 s SER 341 Cb -0.08 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 1n77 s SER 341 CO 0.27 -0.25 0.09 -1.66 1.20 0.00 0.00 173.24 172.89 1n77 s TRP 342 N -1.06 3.19 0.22 3.44 -2.14 -1.26 -4.81 118.94 116.52 1n77 s TRP 342 Ca -0.12 0.07 0.06 0.00 2.66 0.00 0.00 56.10 58.78 1n77 s TRP 342 Cb -0.07 -1.61 0.18 0.00 -3.10 0.00 0.00 33.47 28.87 1n77 s TRP 342 CO -0.00 0.52 1.50 0.93 -2.66 0.00 0.00 176.95 177.25 1n77 h GLU 343 N 3.19 0.12 -2.16 3.25 5.08 -1.96 -3.48 114.58 118.63 1n77 h GLU 343 Ca -0.47 -0.11 0.21 0.00 -1.00 0.00 0.00 59.36 58.00 1n77 h GLU 343 Cb 1.17 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 1n77 h GLU 343 CO 0.66 0.79 0.57 -1.54 -1.00 0.00 0.00 179.01 178.49 1n77 s SER 344 N -6.87 -0.13 0.12 1.42 1.04 -1.26 -5.00 113.70 103.02 1n77 s SER 344 Ca -0.02 -0.37 -0.19 0.00 0.48 0.00 0.00 55.95 55.84 1n77 s SER 344 Cb 0.12 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.59 1n77 s SER 344 CO 0.80 -0.78 1.73 -0.33 0.98 0.00 0.00 173.24 175.64 1n77 h GLU 345 N 2.00 0.33 -0.65 4.02 4.39 -1.99 -1.57 114.58 121.11 1n77 h GLU 345 Ca -0.26 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.53 1n77 h GLU 345 Cb 1.22 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.71 1n77 h GLU 345 CO 0.27 0.28 0.15 0.00 -1.16 0.00 0.00 179.01 178.56 1n77 h ALA 346 N 1.03 0.80 0.06 3.43 0.00 -1.99 0.17 119.26 122.76 1n77 h ALA 346 Ca 0.08 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1n77 h ALA 346 Cb 0.04 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n77 h ALA 346 CO -0.01 -0.30 -0.03 -0.92 0.00 0.00 0.00 179.25 177.98 1n77 h TYR 347 N 0.28 -0.08 -0.63 0.00 3.20 -1.86 -2.72 116.97 115.16 1n77 h TYR 347 Ca 0.35 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.29 1n77 h TYR 347 Cb 0.54 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 1n77 h TYR 347 CO -0.25 0.21 0.31 1.25 -1.64 0.00 0.00 178.16 178.04 1n77 h LEU 348 N -0.37 0.41 -0.38 2.82 5.85 -0.73 -0.29 115.31 122.62 1n77 h LEU 348 Ca -0.01 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1n77 h LEU 348 Cb 0.32 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1n77 h LEU 348 CO 0.01 0.26 0.24 -0.09 -0.34 0.00 0.00 178.44 178.52 1n77 h ARG 349 N 0.56 0.47 -0.19 1.25 2.43 -0.96 0.25 114.38 118.19 1n77 h ARG 349 Ca 0.30 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1n77 h ARG 349 Cb 0.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1n77 h ARG 349 CO -0.23 0.31 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.17 1n77 h ARG 350 N 0.48 0.37 -0.30 0.20 9.65 -1.10 -0.12 114.38 123.56 1n77 h ARG 350 Ca 0.15 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1n77 h ARG 350 Cb -0.03 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1n77 h ARG 350 CO -0.05 0.62 0.05 0.00 2.80 0.00 0.00 179.97 183.39 1n77 h ALA 351 N 1.38 0.40 -0.48 2.80 0.00 -0.21 -2.33 119.26 120.82 1n77 h ALA 351 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1n77 h ALA 351 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1n77 h ALA 351 CO 0.05 0.08 0.05 0.28 0.00 0.00 0.00 179.25 179.71 1n77 h VAL 352 N 0.32 1.23 -0.60 0.00 2.07 -0.25 -2.72 116.25 116.29 1n77 h VAL 352 Ca 0.09 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1n77 h VAL 352 Cb 0.33 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1n77 h VAL 352 CO 0.00 0.32 0.31 -0.08 0.02 0.00 0.00 177.57 178.14 1n77 h GLU 353 N 0.73 0.86 -0.01 1.57 4.81 -0.80 0.15 114.58 121.88 1n77 h GLU 353 Ca 0.15 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1n77 h GLU 353 Cb 0.37 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1n77 h GLU 353 CO 0.01 0.68 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.54 1n77 h LEU 354 N 0.82 0.03 0.00 1.64 3.38 -1.18 -3.15 115.31 116.84 1n77 h LEU 354 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1n77 h LEU 354 Cb 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1n77 h LEU 354 CO -0.03 0.38 -1.32 0.23 0.09 0.00 0.00 178.44 177.79 1n77 n MET 355 N -4.11 0.41 -0.28 1.13 2.81 -1.01 -4.63 117.12 111.44 1n77 n MET 355 Ca -0.02 -0.05 0.04 0.00 -1.81 0.00 0.00 57.70 55.87 1n77 n MET 355 Cb 0.40 -1.59 0.10 0.00 -0.71 0.00 0.00 33.22 31.42 1n77 n MET 355 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1n77 n ARG 356 N -2.10 -0.08 -0.02 0.03 1.74 0.51 0.16 116.66 116.90 1n77 n ARG 356 Ca 0.00 1.20 0.03 0.00 -0.77 0.00 0.00 57.85 58.31 1n77 n ARG 356 Cb 0.48 -1.79 0.18 0.00 -1.02 0.00 0.00 32.46 30.31 1n77 n ARG 356 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1n77 n PRO 357 N -5.25 1.08 -0.05 5.56 -0.04 -1.26 -3.80 135.00 131.25 1n77 n PRO 357 Ca 0.12 -0.13 0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1n77 n PRO 357 Cb 0.38 -1.12 0.04 0.00 -0.04 0.00 0.00 33.50 32.77 1n77 n PRO 357 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n77 n ARG 358 N -0.48 2.56 -3.78 0.54 1.74 0.41 -4.99 116.66 112.66 1n77 n ARG 358 Ca 0.05 -1.56 -0.14 0.00 -0.77 0.00 0.00 57.85 55.43 1n77 n ARG 358 Cb 0.05 -1.08 -0.15 0.00 -1.02 0.00 0.00 32.46 30.26 1n77 n ARG 358 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1n77 s PHE 359 N -0.92 -0.09 -1.67 -1.55 -0.12 -1.22 -4.99 117.98 107.42 1n77 s PHE 359 Ca 0.07 0.32 0.22 0.00 -0.05 0.00 0.00 56.93 57.49 1n77 s PHE 359 Cb 0.04 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 1n77 s PHE 359 CO 0.05 -0.12 1.06 -0.25 -0.05 0.00 0.00 175.22 175.91 1n77 n ASP 360 N 3.93 1.63 -3.93 1.98 8.00 -1.26 -4.76 116.55 122.13 1n77 n ASP 360 Ca -0.24 -1.30 -0.10 0.00 0.71 0.00 0.00 54.79 53.87 1n77 n ASP 360 Cb 0.53 0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 42.13 1n77 n ASP 360 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1n77 s THR 361 N -2.66 0.07 0.49 -3.53 -4.23 -1.26 -3.24 115.64 101.27 1n77 s THR 361 Ca 0.15 -0.56 0.17 0.00 -1.18 0.00 0.00 61.69 60.27 1n77 s THR 361 Cb 0.17 -0.20 0.32 0.00 1.34 0.00 0.00 72.50 74.13 1n77 s THR 361 CO 0.67 -0.31 2.05 -0.07 -0.54 0.00 0.00 174.62 176.42 1n77 h LEU 362 N 5.13 0.15 -1.53 4.79 3.38 -1.34 -0.59 115.31 125.30 1n77 h LEU 362 Ca -0.29 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1n77 h LEU 362 Cb 1.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1n77 h LEU 362 CO 0.44 0.10 -0.24 0.50 0.09 0.00 0.00 178.44 179.33 1n77 h LYS 363 N 0.17 0.00 0.00 1.13 3.64 -1.78 -2.77 116.57 116.96 1n77 h LYS 363 Ca 0.16 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1n77 h LYS 363 Cb 0.41 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1n77 h LYS 363 CO -0.02 0.24 -0.45 0.93 -2.27 0.00 0.00 179.45 177.88 1n77 h GLU 364 N 0.00 0.00 0.06 1.90 5.08 -1.39 -3.33 114.58 116.90 1n77 h GLU 364 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1n77 h GLU 364 Cb 0.50 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1n77 h GLU 364 CO 0.03 0.45 -0.35 0.35 -1.00 0.00 0.00 179.01 178.49 1n77 h PHE 365 N 0.00 -0.97 0.00 4.33 3.57 -1.53 -1.06 116.94 121.28 1n77 h PHE 365 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1n77 h PHE 365 Cb 0.88 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 1n77 h PHE 365 CO 0.00 -0.45 -0.04 -1.35 -2.23 0.00 0.00 178.31 174.24 1n77 h PRO 366 N -0.54 0.00 0.03 6.41 0.11 -1.75 -0.95 132.00 135.30 1n77 h PRO 366 Ca 0.04 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1n77 h PRO 366 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1n77 h PRO 366 CO -0.25 0.04 -0.01 0.93 -0.21 0.00 0.00 178.00 178.50 1n77 h GLU 367 N 0.00 -0.04 0.00 1.05 5.08 -1.41 -2.63 114.58 116.63 1n77 h GLU 367 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n77 h GLU 367 Cb 0.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1n77 h GLU 367 CO 0.01 0.63 -0.46 1.63 -1.00 0.00 0.00 179.01 179.81 1n77 n LYS 368 N -4.77 0.28 -0.16 2.33 5.02 -0.50 -3.82 118.16 116.53 1n77 n LYS 368 Ca -0.09 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.39 1n77 n LYS 368 Cb 0.33 -1.71 0.14 0.00 -0.02 0.00 0.00 35.03 33.77 1n77 n LYS 368 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n77 n ALA 369 N -1.81 2.37 -0.29 7.82 0.00 -0.37 -4.77 120.51 123.46 1n77 n ALA 369 Ca 0.04 -1.94 0.11 0.00 0.00 0.00 0.00 53.44 51.65 1n77 n ALA 369 Cb 0.43 -0.38 0.26 0.00 0.00 0.00 0.00 19.45 19.76 1n77 n ALA 369 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1n77 h ARG 370 N 0.76 0.21 0.00 0.00 2.43 -1.57 0.63 114.38 116.84 1n77 h ARG 370 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1n77 h ARG 370 Cb 0.95 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1n77 h ARG 370 CO 0.06 0.14 0.00 2.48 -1.51 0.00 0.00 179.97 181.13 1n77 n TYR 371 N -5.22 0.00 1.15 2.20 4.11 -1.26 -1.57 117.16 116.57 1n77 n TYR 371 Ca 0.19 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.22 1n77 n TYR 371 Cb 0.62 -0.29 0.23 0.00 -0.00 0.00 0.00 39.34 39.89 1n77 n TYR 371 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1n77 n LEU 372 N -1.29 1.47 0.00 -3.48 4.77 0.21 -4.41 117.00 114.27 1n77 n LEU 372 Ca 0.02 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1n77 n LEU 372 Cb 0.03 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1n77 n LEU 372 CO 0.03 0.27 -0.09 0.49 -1.33 0.00 0.00 177.39 176.77 1n77 n PHE 373 N -0.35 0.00 -3.96 -1.77 3.72 -0.61 -5.03 117.46 109.47 1n77 n PHE 373 Ca 0.11 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.42 1n77 n PHE 373 Cb 0.40 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.88 1n77 n PHE 373 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1n77 s THR 374 N -0.80 0.04 -0.46 4.37 -1.32 -1.09 -4.55 115.64 111.84 1n77 s THR 374 Ca 0.00 -1.37 0.23 0.00 -1.21 0.00 0.00 61.69 59.34 1n77 s THR 374 Cb 0.00 -1.93 -0.12 0.00 -1.51 0.00 0.00 72.50 68.94 1n77 s THR 374 CO 0.00 -0.20 0.96 1.21 -2.21 0.00 0.00 174.62 174.38 1n77 n GLU 375 N -0.26 0.40 -2.00 7.08 4.07 -1.26 -4.54 120.64 124.12 1n77 n GLU 375 Ca -0.06 -0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.62 1n77 n GLU 375 Cb 0.63 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 1n77 n GLU 375 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1n77 n ASP 376 N -2.14 4.40 -4.47 4.31 4.64 -1.26 -4.92 116.55 117.11 1n77 n ASP 376 Ca 0.01 -2.96 -0.26 0.00 -1.38 0.00 0.00 54.79 50.20 1n77 n ASP 376 Cb 0.48 -1.58 -0.11 0.00 -1.04 0.00 0.00 41.12 38.87 1n77 n ASP 376 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 1n77 s TYR 377 N 2.01 2.37 0.59 -0.67 1.13 -1.26 -4.96 117.35 116.56 1n77 s TYR 377 Ca 0.44 -0.32 -0.11 0.00 -1.41 0.00 0.00 57.07 55.67 1n77 s TYR 377 Cb 0.12 -1.13 -0.04 0.00 -1.10 0.00 0.00 41.96 39.80 1n77 s TYR 377 CO -0.05 0.56 1.00 -1.25 -2.51 0.00 0.00 175.55 173.30 1n77 s PRO 378 N -2.92 3.63 -0.20 -3.49 0.04 -1.26 -5.04 135.00 125.76 1n77 s PRO 378 Ca 0.24 0.71 0.01 0.00 0.04 0.00 0.00 61.00 62.00 1n77 s PRO 378 Cb -0.07 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1n77 s PRO 378 CO 0.12 -0.50 -0.11 0.08 0.04 0.00 0.00 177.00 176.63 1n77 s VAL 379 N -3.08 1.69 0.43 -0.36 1.01 -1.26 -4.56 120.40 114.29 1n77 s VAL 379 Ca 0.55 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1n77 s VAL 379 Cb -0.11 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.44 1n77 s VAL 379 CO 0.51 0.18 1.25 -0.94 0.00 0.00 0.00 175.10 176.09 1n77 s SER 380 N 1.37 6.19 0.25 3.32 1.04 -1.00 -4.83 113.70 120.05 1n77 s SER 380 Ca -0.01 2.52 -0.04 0.00 0.48 0.00 0.00 55.95 58.90 1n77 s SER 380 Cb -0.16 -2.62 0.46 0.00 0.10 0.00 0.00 66.02 63.79 1n77 s SER 380 CO -0.08 -0.92 1.75 -0.08 0.98 0.00 0.00 173.24 174.89 1n77 h GLU 381 N 2.37 0.52 -0.15 4.02 4.81 -1.99 0.29 114.58 124.45 1n77 h GLU 381 Ca -0.49 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1n77 h GLU 381 Cb 1.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1n77 h GLU 381 CO 0.61 0.34 -0.08 0.87 -0.73 0.00 0.00 179.01 180.02 1n77 h LYS 382 N 0.53 0.22 -0.18 1.92 1.57 -1.99 0.83 116.57 119.47 1n77 h LYS 382 Ca 0.42 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.97 1n77 h LYS 382 Cb 0.59 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.87 1n77 h LYS 382 CO -0.36 0.32 -0.60 0.00 -0.57 0.00 0.00 179.45 178.23 1n77 h ALA 383 N 1.71 0.32 -0.25 3.86 0.00 -0.92 -2.07 119.26 121.91 1n77 h ALA 383 Ca 0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1n77 h ALA 383 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1n77 h ALA 383 CO 0.01 0.57 0.08 0.37 0.00 0.00 0.00 179.25 180.29 1n77 h GLN 384 N 0.45 0.39 -0.44 0.00 5.75 -0.08 0.16 115.11 121.33 1n77 h GLN 384 Ca -0.02 -0.08 0.06 0.00 -0.15 0.00 0.00 58.65 58.46 1n77 h GLN 384 Cb 1.23 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.67 1n77 h GLN 384 CO 0.13 0.45 0.14 -0.09 -2.65 0.00 0.00 178.83 176.80 1n77 h ARG 385 N 0.24 0.28 -0.21 1.69 2.43 -0.87 -0.66 114.38 117.29 1n77 h ARG 385 Ca 0.08 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1n77 h ARG 385 Cb 0.22 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1n77 h ARG 385 CO -0.00 0.19 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.21 1n77 h LYS 386 N 0.29 0.37 0.03 0.20 1.63 -1.03 -1.79 116.57 116.27 1n77 h LYS 386 Ca 0.21 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1n77 h LYS 386 Cb 0.22 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1n77 h LYS 386 CO -0.23 0.57 -0.01 1.25 -3.45 0.00 0.00 179.45 177.57 1n77 h LEU 387 N 0.34 -0.03 -1.35 5.20 5.85 0.12 -2.88 115.31 122.56 1n77 h LEU 387 Ca 0.06 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1n77 h LEU 387 Cb 0.56 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1n77 h LEU 387 CO 0.04 0.44 0.10 -0.33 -0.34 0.00 0.00 178.44 178.34 1n77 h GLU 388 N -0.50 0.54 0.00 1.25 5.08 -1.10 -1.79 114.58 118.05 1n77 h GLU 388 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1n77 h GLU 388 Cb 0.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1n77 h GLU 388 CO 0.01 0.49 0.00 0.93 -1.00 0.00 0.00 179.01 179.44 1n77 h GLU 389 N 0.53 0.00 -0.05 2.33 5.08 -1.31 -3.17 114.58 117.99 1n77 h GLU 389 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1n77 h GLU 389 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1n77 h GLU 389 CO -0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.41 1n77 n GLY 390 N 0.27 2.59 0.25 -3.84 0.00 -0.79 -4.76 105.19 98.91 1n77 n GLY 390 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1n77 n GLY 390 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n77 h LEU 391 N 0.31 -0.02 -0.63 0.99 3.38 -1.33 -1.28 115.31 116.73 1n77 h LEU 391 Ca 0.00 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1n77 h LEU 391 Cb 0.50 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 1n77 h LEU 391 CO 0.00 -0.03 0.23 -0.65 0.09 0.00 0.00 178.44 178.09 1n77 h PRO 392 N 0.25 0.40 -0.05 1.13 0.11 -1.86 0.18 132.00 132.16 1n77 h PRO 392 Ca 0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 1n77 h PRO 392 Cb 0.60 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1n77 h PRO 392 CO -0.48 0.26 0.00 -0.07 -0.21 0.00 0.00 178.00 177.51 1n77 h LEU 393 N 0.41 0.09 -1.11 2.35 3.38 -1.68 -2.58 115.31 116.16 1n77 h LEU 393 Ca 0.32 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1n77 h LEU 393 Cb 0.42 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1n77 h LEU 393 CO -0.33 0.35 0.60 -0.07 0.09 0.00 0.00 178.44 179.08 1n77 h LEU 394 N -0.18 1.02 -0.92 1.67 3.38 -0.80 -0.54 115.31 118.94 1n77 h LEU 394 Ca 0.02 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1n77 h LEU 394 Cb 0.30 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1n77 h LEU 394 CO 0.00 0.72 0.59 0.11 0.09 0.00 0.00 178.44 179.95 1n77 h LYS 395 N 1.19 1.10 0.00 1.13 1.79 -0.53 0.15 116.57 121.40 1n77 h LYS 395 Ca 0.35 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1n77 h LYS 395 Cb -0.07 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.33 1n77 h LYS 395 CO -0.09 0.73 0.00 0.93 -1.08 0.00 0.00 179.45 179.94 1n77 h GLU 396 N 1.13 0.00 0.12 3.15 5.08 -0.92 -3.28 114.58 119.85 1n77 h GLU 396 Ca 0.37 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.39 1n77 h GLU 396 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1n77 h GLU 396 CO -0.13 0.00 -1.88 1.25 -1.00 0.00 0.00 179.01 177.24 1n77 h LEU 397 N 0.00 0.38 -0.79 1.33 5.85 -0.10 -3.40 115.31 118.58 1n77 h LEU 397 Ca 0.00 -0.78 0.14 0.00 0.84 0.00 0.00 57.88 58.08 1n77 h LEU 397 Cb 0.79 -0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.55 1n77 h LEU 397 CO 0.00 1.69 -0.31 0.22 -0.34 0.00 0.00 178.44 179.71 1n77 h TYR 398 N 0.07 -0.80 -0.81 1.25 3.20 -0.80 0.12 116.97 119.18 1n77 h TYR 398 Ca -0.38 0.08 0.11 0.00 3.14 0.00 0.00 58.73 61.68 1n77 h TYR 398 Cb 2.04 0.47 -0.06 0.00 1.54 0.00 0.00 36.73 40.72 1n77 h TYR 398 CO 0.07 -0.38 0.53 -1.00 -1.64 0.00 0.00 178.16 175.74 1n77 h PRO 399 N -0.06 0.70 -0.64 1.82 0.13 -1.77 -0.82 132.00 131.36 1n77 h PRO 399 Ca 0.32 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.34 1n77 h PRO 399 Cb 0.58 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 1n77 h PRO 399 CO -0.83 0.46 0.11 0.00 -0.23 0.00 0.00 178.00 177.51 1n77 h ARG 400 N 0.72 1.05 -0.42 0.86 2.47 -1.02 -2.90 114.38 115.15 1n77 h ARG 400 Ca 0.38 -0.28 -0.13 0.00 -1.26 0.00 0.00 59.98 58.69 1n77 h ARG 400 Cb 0.51 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1n77 h ARG 400 CO -0.15 0.97 -0.26 -0.07 0.56 0.00 0.00 179.97 181.02 1n77 h LEU 401 N 0.97 0.90 -0.46 3.04 4.07 -0.55 -2.38 115.31 120.89 1n77 h LEU 401 Ca 0.19 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1n77 h LEU 401 Cb 0.42 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1n77 h LEU 401 CO 0.01 1.11 0.00 -1.14 -1.08 0.00 0.00 178.44 177.34 1n77 n ARG 402 N -4.09 0.17 -0.07 1.13 0.63 -0.44 -2.20 116.66 111.79 1n77 n ARG 402 Ca -0.00 0.35 0.10 0.00 -0.92 0.00 0.00 57.85 57.38 1n77 n ARG 402 Cb 0.47 -1.79 0.13 0.00 0.45 0.00 0.00 32.46 31.71 1n77 n ARG 402 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1n77 n ALA 403 N -1.72 2.43 -2.60 5.13 0.00 -1.06 -4.91 120.51 117.78 1n77 n ALA 403 Ca 0.03 -0.79 -0.43 0.00 0.00 0.00 0.00 53.44 52.25 1n77 n ALA 403 Cb 0.25 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 1n77 n ALA 403 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1n77 s GLN 404 N -1.53 3.76 -0.09 0.00 -0.44 -0.92 -4.93 119.66 115.52 1n77 s GLN 404 Ca 0.27 0.56 -0.15 0.00 -2.50 0.00 0.00 55.36 53.54 1n77 s GLN 404 Cb 0.18 -3.86 -0.12 0.00 -1.64 0.00 0.00 33.01 27.56 1n77 s GLN 404 CO 0.26 -1.18 0.53 1.49 0.50 0.00 0.00 175.29 176.89 1n77 h GLU 405 N 8.86 -0.12 -6.19 1.67 4.81 -1.91 -3.41 114.58 118.29 1n77 h GLU 405 Ca -0.23 0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.49 1n77 h GLU 405 Cb 1.07 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 1n77 h GLU 405 CO 1.06 0.28 1.20 -2.00 -0.73 0.00 0.00 179.01 178.82 1n77 s GLU 406 N -2.49 2.94 -1.16 1.92 2.12 -1.26 -4.91 118.70 115.86 1n77 s GLU 406 Ca -0.09 0.24 -0.06 0.00 0.36 0.00 0.00 54.97 55.41 1n77 s GLU 406 Cb -0.01 -4.27 0.25 0.00 0.26 0.00 0.00 34.13 30.36 1n77 s GLU 406 CO 0.34 -2.40 1.66 1.87 -0.54 0.00 0.00 175.26 176.20 1n77 n TRP 407 N 10.97 2.51 -4.42 5.30 -0.00 -1.26 -4.55 117.44 125.97 1n77 n TRP 407 Ca 0.12 -2.65 -0.23 0.00 -0.00 0.00 0.00 57.50 54.74 1n77 n TRP 407 Cb 0.50 -1.54 -0.10 0.00 -0.00 0.00 0.00 31.31 30.17 1n77 n TRP 407 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1n77 s THR 408 N -1.52 2.24 0.52 5.87 -4.23 -1.26 -4.93 115.64 112.32 1n77 s THR 408 Ca 0.35 -2.29 0.17 0.00 -1.18 0.00 0.00 61.69 58.74 1n77 s THR 408 Cb 0.07 -2.18 0.27 0.00 1.34 0.00 0.00 72.50 71.99 1n77 s THR 408 CO 0.06 -0.41 2.14 -0.33 -0.54 0.00 0.00 174.62 175.54 1n77 h GLU 409 N 2.51 0.00 -0.00 3.99 5.08 -1.93 0.32 114.58 124.54 1n77 h GLU 409 Ca -0.40 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1n77 h GLU 409 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1n77 h GLU 409 CO 0.59 0.01 -0.17 0.00 -1.00 0.00 0.00 179.01 178.44 1n77 h ALA 410 N 1.99 0.03 -0.15 3.43 0.00 -1.95 -2.81 119.26 119.78 1n77 h ALA 410 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1n77 h ALA 410 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1n77 h ALA 410 CO 0.00 0.02 0.03 0.00 0.00 0.00 0.00 179.25 179.31 1n77 h ALA 411 N 0.26 0.20 -0.98 0.00 0.00 -1.74 -2.69 119.26 114.30 1n77 h ALA 411 Ca -0.02 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1n77 h ALA 411 Cb 0.93 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1n77 h ALA 411 CO 0.03 -0.15 0.64 -0.07 0.00 0.00 0.00 179.25 179.70 1n77 h LEU 412 N 0.04 1.02 -0.36 0.00 -0.00 -0.49 -1.13 115.31 114.39 1n77 h LEU 412 Ca 0.05 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1n77 h LEU 412 Cb 0.29 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 1n77 h LEU 412 CO 0.00 0.66 0.12 -0.08 -0.00 0.00 0.00 178.44 179.14 1n77 h GLU 413 N 1.16 0.55 -0.37 1.13 4.81 -1.37 -1.89 114.58 118.60 1n77 h GLU 413 Ca 0.42 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.59 1n77 h GLU 413 Cb 0.15 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1n77 h GLU 413 CO -0.16 0.56 0.07 0.00 -0.73 0.00 0.00 179.01 178.75 1n77 h ALA 414 N 0.96 0.39 0.28 2.92 0.00 -1.02 0.21 119.26 123.01 1n77 h ALA 414 Ca 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1n77 h ALA 414 Cb 0.23 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n77 h ALA 414 CO -0.01 -0.33 -0.16 1.25 0.00 0.00 0.00 179.25 180.01 1n77 h LEU 415 N 0.20 -0.39 -0.76 0.00 5.85 -1.04 -1.20 115.31 117.97 1n77 h LEU 415 Ca 0.18 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1n77 h LEU 415 Cb 0.21 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1n77 h LEU 415 CO -0.23 -0.26 0.46 -0.07 -0.34 0.00 0.00 178.44 178.00 1n77 h LEU 416 N -0.41 0.91 -0.05 2.25 4.07 -1.09 0.18 115.31 121.17 1n77 h LEU 416 Ca -0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 1n77 h LEU 416 Cb 0.33 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 1n77 h LEU 416 CO 0.04 0.70 0.02 0.03 -1.08 0.00 0.00 178.44 178.15 1n77 h ARG 417 N 1.04 0.07 -0.68 1.13 2.47 -0.90 0.01 114.38 117.52 1n77 h ARG 417 Ca 0.27 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 59.03 1n77 h ARG 417 Cb -0.04 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.21 1n77 h ARG 417 CO -0.05 0.16 0.41 0.78 0.56 0.00 0.00 179.97 181.83 1n77 h GLY 418 N -0.04 0.99 1.06 0.04 0.00 -0.85 -0.39 103.07 103.87 1n77 h GLY 418 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1n77 h GLY 418 CO -0.00 0.22 0.42 -2.75 0.00 0.00 0.00 176.54 174.43 1n77 h PHE 419 N 0.78 1.22 -0.46 5.60 3.04 -0.40 0.19 116.94 126.90 1n77 h PHE 419 Ca 0.29 -0.05 -0.05 0.00 3.98 0.00 0.00 57.97 62.13 1n77 h PHE 419 Cb 0.09 -0.38 -0.02 0.00 2.56 0.00 0.00 35.95 38.20 1n77 h PHE 419 CO -0.06 0.87 0.08 0.00 -2.02 0.00 0.00 178.31 177.18 1n77 h ALA 420 N 1.25 0.62 0.11 2.41 0.00 -0.07 -0.98 119.26 122.59 1n77 h ALA 420 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1n77 h ALA 420 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1n77 h ALA 420 CO -0.04 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 179.50 1n77 h ALA 421 N 0.96 -0.15 -0.34 0.00 0.00 -0.81 0.81 119.26 119.73 1n77 h ALA 421 Ca 0.14 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1n77 h ALA 421 Cb 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1n77 h ALA 421 CO 0.01 -0.38 0.32 1.05 0.00 0.00 0.00 179.25 180.25 1n77 h GLU 422 N -0.56 0.00 -0.50 0.00 4.11 -0.57 1.12 114.58 118.18 1n77 h GLU 422 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1n77 h GLU 422 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1n77 h GLU 422 CO 0.02 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.73 1n77 n LYS 423 N -3.95 2.40 -3.68 1.06 4.76 -0.38 -4.98 118.16 113.40 1n77 n LYS 423 Ca 0.05 -2.15 -0.30 0.00 -2.87 0.00 0.00 58.31 53.05 1n77 n LYS 423 Cb 0.49 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.22 1n77 n LYS 423 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n77 n GLY 424 N 1.47 -1.04 3.33 0.72 0.00 0.39 -5.00 105.19 105.05 1n77 n GLY 424 Ca 0.20 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 1n77 n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n77 s VAL 425 N -3.37 0.06 0.27 1.61 0.11 0.19 -5.02 120.40 114.26 1n77 s VAL 425 Ca 0.38 -0.54 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 1n77 s VAL 425 Cb -0.15 -1.16 -0.09 0.00 -1.53 0.00 0.00 36.38 33.45 1n77 s VAL 425 CO 0.87 -0.29 1.02 -0.54 -3.33 0.00 0.00 175.10 172.83 1n77 s LYS 426 N -3.80 4.71 0.25 1.54 1.02 -1.26 -4.16 119.74 118.04 1n77 s LYS 426 Ca 0.03 1.64 -0.10 0.00 0.02 0.00 0.00 55.97 57.56 1n77 s LYS 426 Cb 0.02 -3.19 0.38 0.00 -0.52 0.00 0.00 37.83 34.52 1n77 s LYS 426 CO -0.12 0.33 1.60 1.25 -0.92 0.00 0.00 175.35 177.49 1n77 h LEU 427 N 3.88 -0.70 -1.40 3.17 5.85 -1.93 0.22 115.31 124.40 1n77 h LEU 427 Ca -0.46 0.24 0.29 0.00 0.84 0.00 0.00 57.88 58.79 1n77 h LEU 427 Cb 1.21 0.49 -0.10 0.00 0.37 0.00 0.00 40.66 42.63 1n77 h LEU 427 CO 0.67 -0.26 0.70 1.23 -0.34 0.00 0.00 178.44 180.43 1n77 h GLY 428 N 0.01 1.17 2.00 3.75 0.00 -1.97 0.62 103.07 108.65 1n77 h GLY 428 Ca 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1n77 h GLY 428 CO -0.83 -0.17 0.00 1.46 0.00 0.00 0.00 176.54 177.01 1n77 h GLN 429 N 0.33 0.00 0.00 4.80 4.20 -0.93 0.19 115.11 123.71 1n77 h GLN 429 Ca 0.62 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 59.14 1n77 h GLN 429 Cb 1.68 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.42 1n77 h GLN 429 CO -0.30 0.00 -1.73 1.55 -0.67 0.00 0.00 178.83 177.68 1n77 n VAL 430 N -2.30 0.73 -0.05 -0.54 3.14 0.17 -4.49 118.33 114.99 1n77 n VAL 430 Ca 0.01 -0.36 -0.13 0.00 -2.96 0.00 0.00 64.34 60.90 1n77 n VAL 430 Cb 0.19 -0.85 -0.07 0.00 -1.06 0.00 0.00 33.84 32.05 1n77 n VAL 430 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1n77 h ALA 431 N 0.25 0.21 -0.06 1.55 0.00 -0.26 -2.91 119.26 118.03 1n77 h ALA 431 Ca -0.29 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.33 1n77 h ALA 431 Cb 1.54 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1n77 h ALA 431 CO -0.02 0.08 -0.10 0.37 0.00 0.00 0.00 179.25 179.59 1n77 h GLN 432 N -0.03 -0.13 -0.19 0.00 5.75 -0.83 0.72 115.11 120.39 1n77 h GLN 432 Ca 0.02 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 1n77 h GLN 432 Cb 0.67 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1n77 h GLN 432 CO 0.03 -0.09 -0.16 -1.00 -2.65 0.00 0.00 178.83 174.97 1n77 h PRO 433 N -0.14 0.32 -0.46 -2.39 0.13 -1.76 -2.32 132.00 125.38 1n77 h PRO 433 Ca 0.06 -0.09 -0.13 0.00 -0.87 0.00 0.00 66.00 64.98 1n77 h PRO 433 Cb 0.22 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1n77 h PRO 433 CO -0.15 0.48 -0.20 1.25 -0.23 0.00 0.00 178.00 179.14 1n77 h LEU 434 N 0.30 0.97 -0.80 1.56 5.85 -1.23 -2.00 115.31 119.96 1n77 h LEU 434 Ca 0.06 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1n77 h LEU 434 Cb 0.46 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1n77 h LEU 434 CO 0.03 1.15 0.51 -0.09 -0.34 0.00 0.00 178.44 179.70 1n77 h ARG 435 N 0.79 0.94 -0.54 1.25 2.43 -0.50 -0.26 114.38 118.49 1n77 h ARG 435 Ca 0.10 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1n77 h ARG 435 Cb 0.78 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1n77 h ARG 435 CO 0.06 0.62 0.25 0.00 -1.51 0.00 0.00 179.97 179.39 1n77 h ALA 436 N 1.35 0.70 -0.55 2.80 0.00 -1.14 0.20 119.26 122.61 1n77 h ALA 436 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1n77 h ALA 436 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1n77 h ALA 436 CO -0.13 0.28 0.35 0.00 0.00 0.00 0.00 179.25 179.74 1n77 h ALA 437 N 1.09 0.70 0.07 0.00 0.00 -0.56 0.11 119.26 120.66 1n77 h ALA 437 Ca 0.18 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 1n77 h ALA 437 Cb 0.14 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1n77 h ALA 437 CO -0.02 0.17 -1.10 -0.07 0.00 0.00 0.00 179.25 178.22 1n77 h LEU 438 N 0.75 0.59 -0.06 0.00 3.38 -0.86 -3.40 115.31 115.71 1n77 h LEU 438 Ca 0.20 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1n77 h LEU 438 Cb -0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1n77 h LEU 438 CO -0.04 1.36 -0.20 0.35 0.09 0.00 0.00 178.44 180.00 1n77 n THR 439 N -3.70 0.00 -1.44 0.22 -2.24 0.67 -4.98 114.28 102.81 1n77 n THR 439 Ca -0.09 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.14 1n77 n THR 439 Cb 0.93 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 70.10 1n77 n THR 439 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n77 n GLY 440 N 1.07 1.54 3.30 3.38 0.00 0.37 -4.81 105.19 110.03 1n77 n GLY 440 Ca 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1n77 n GLY 440 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n77 s SER 441 N -2.84 0.02 0.00 1.61 0.15 -1.26 -2.36 113.70 109.01 1n77 s SER 441 Ca 0.00 -0.70 0.03 0.00 0.70 0.00 0.00 55.95 55.99 1n77 s SER 441 Cb 0.00 0.41 0.08 0.00 -1.71 0.00 0.00 66.02 64.81 1n77 s SER 441 CO 0.00 -0.84 0.98 0.18 1.20 0.00 0.00 173.24 174.76 1n77 n LEU 442 N -0.17 2.07 -3.86 3.45 4.32 -1.26 -3.76 117.00 117.79 1n77 n LEU 442 Ca -0.11 -1.77 -0.30 0.00 -0.02 0.00 0.00 56.01 53.80 1n77 n LEU 442 Cb 0.63 -0.06 -0.15 0.00 -1.62 0.00 0.00 43.42 42.22 1n77 n LEU 442 CO 0.22 0.51 -0.32 -1.61 -1.22 0.00 0.00 177.39 174.97 1n77 s GLU 443 N -0.84 1.10 0.31 3.23 2.02 -1.26 -5.09 118.70 118.16 1n77 s GLU 443 Ca 0.07 -1.50 -0.10 0.00 0.02 0.00 0.00 54.97 53.45 1n77 s GLU 443 Cb 0.04 -2.55 0.01 0.00 0.10 0.00 0.00 34.13 31.72 1n77 s GLU 443 CO 0.05 -0.98 0.55 -0.08 0.02 0.00 0.00 175.26 174.82 1n77 s THR 444 N 1.20 0.00 1.02 3.63 -1.32 -1.26 -5.10 115.64 113.82 1n77 s THR 444 Ca 0.11 -1.37 -0.17 0.00 -1.21 0.00 0.00 61.69 59.05 1n77 s THR 444 Cb -0.19 -2.46 0.22 0.00 -1.51 0.00 0.00 72.50 68.56 1n77 s THR 444 CO -0.16 0.00 1.28 -2.16 -2.21 0.00 0.00 174.62 171.37 1n77 s PRO 445 N -3.38 0.18 0.13 7.08 0.04 -1.26 -4.92 135.00 132.87 1n77 s PRO 445 Ca 0.23 -0.34 -0.32 0.00 0.04 0.00 0.00 61.00 60.61 1n77 s PRO 445 Cb -0.02 -1.79 -0.18 0.00 0.04 0.00 0.00 34.50 32.56 1n77 s PRO 445 CO 0.13 -2.74 0.70 0.41 0.04 0.00 0.00 177.00 175.54 1n77 n GLY 446 N -3.12 -1.25 0.25 0.56 0.00 -1.26 -4.79 105.19 95.57 1n77 n GLY 446 Ca 0.15 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.57 1n77 n GLY 446 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n77 h LEU 447 N 1.65 0.74 -0.87 0.99 5.85 -1.96 -2.05 115.31 119.65 1n77 h LEU 447 Ca -0.35 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 1n77 h LEU 447 Cb 1.43 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1n77 h LEU 447 CO 0.59 0.68 0.21 -0.26 -0.34 0.00 0.00 178.44 179.32 1n77 h PHE 448 N 0.75 1.08 -0.01 1.25 0.04 -1.92 0.17 116.94 118.31 1n77 h PHE 448 Ca 0.19 -0.10 -0.17 0.00 2.80 0.00 0.00 57.97 60.69 1n77 h PHE 448 Cb 0.14 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 1n77 h PHE 448 CO 0.00 0.86 -0.78 1.05 -0.60 0.00 0.00 178.31 178.83 1n77 h GLU 449 N 1.01 0.10 -0.15 1.51 9.09 -1.89 -1.30 114.58 122.95 1n77 h GLU 449 Ca 0.22 -0.10 -0.18 0.00 0.05 0.00 0.00 59.36 59.35 1n77 h GLU 449 Cb 0.28 0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1n77 h GLU 449 CO -0.01 0.83 -0.65 0.82 0.05 0.00 0.00 179.01 180.06 1n77 h ILE 450 N 0.06 1.33 -0.43 -1.06 1.08 -1.09 -1.22 117.51 116.18 1n77 h ILE 450 Ca -0.02 -1.94 -0.15 0.00 -0.39 0.00 0.00 64.86 62.36 1n77 h ILE 450 Cb 1.37 1.91 -0.01 0.00 -3.07 0.00 0.00 36.82 37.02 1n77 h ILE 450 CO 0.11 0.60 -0.31 0.25 -0.69 0.00 0.00 178.15 178.11 1n77 h LEU 451 N 0.40 1.02 -0.02 1.44 6.46 -0.56 -3.31 115.31 120.74 1n77 h LEU 451 Ca -0.01 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 1n77 h LEU 451 Cb 1.22 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1n77 h LEU 451 CO 0.12 1.23 -0.03 0.00 -0.62 0.00 0.00 178.44 179.14 1n77 h ALA 452 N 0.81 0.03 -0.64 1.25 0.00 -1.18 -3.37 119.26 116.18 1n77 h ALA 452 Ca 0.08 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1n77 h ALA 452 Cb 0.90 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 1n77 h ALA 452 CO 0.08 -0.17 -0.23 -0.11 0.00 0.00 0.00 179.25 178.82 1n77 n LEU 453 N -4.78 -0.38 0.15 0.00 0.00 -0.47 -1.09 117.00 110.44 1n77 n LEU 453 Ca -0.08 1.11 0.01 0.00 0.00 0.00 0.00 56.01 57.05 1n77 n LEU 453 Cb 0.30 -0.27 0.23 0.00 0.00 0.00 0.00 43.42 43.67 1n77 n LEU 453 CO 0.35 -1.01 0.56 -0.07 0.00 0.00 0.00 177.39 177.22 1n77 h LEU 454 N 0.00 0.00 0.00 -1.96 -0.00 -1.73 -3.50 115.31 108.12 1n77 h LEU 454 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1n77 h LEU 454 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1n77 h LEU 454 CO -0.64 0.53 0.00 0.61 -0.00 0.00 0.00 178.44 178.94 1n77 n GLY 455 N 0.28 1.87 0.34 0.83 0.00 -0.25 -4.43 105.19 103.82 1n77 n GLY 455 Ca -0.01 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 1n77 n GLY 455 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n77 h LYS 456 N 0.00 -0.30 0.03 1.61 3.64 -1.88 -2.00 116.57 117.66 1n77 h LYS 456 Ca 0.00 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1n77 h LYS 456 Cb 0.00 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1n77 h LYS 456 CO 0.00 -0.20 -0.29 0.93 -2.27 0.00 0.00 179.45 177.62 1n77 h GLU 457 N -0.31 -0.43 -0.90 1.90 3.07 -1.99 -0.43 114.58 115.47 1n77 h GLU 457 Ca 0.05 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1n77 h GLU 457 Cb 0.45 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.41 1n77 h GLU 457 CO -0.42 -0.29 0.60 -0.09 -1.40 0.00 0.00 179.01 177.40 1n77 h ARG 458 N -0.45 1.14 -0.05 2.33 1.12 -1.76 -0.66 114.38 116.05 1n77 h ARG 458 Ca 0.05 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 1n77 h ARG 458 Cb 0.52 -0.26 -0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1n77 h ARG 458 CO -0.23 0.76 -0.02 0.00 -3.11 0.00 0.00 179.97 177.37 1n77 h ALA 459 N 1.45 0.07 -0.56 2.80 0.00 -1.03 -2.71 119.26 119.28 1n77 h ALA 459 Ca 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1n77 h ALA 459 Cb -0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1n77 h ALA 459 CO -0.09 -0.19 0.26 -0.07 0.00 0.00 0.00 179.25 179.16 1n77 h LEU 460 N -0.27 0.74 -0.19 0.00 3.38 -0.86 0.17 115.31 118.27 1n77 h LEU 460 Ca 0.01 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1n77 h LEU 460 Cb 0.45 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1n77 h LEU 460 CO 0.01 0.67 -0.25 -0.09 0.09 0.00 0.00 178.44 178.86 1n77 h ARG 461 N 0.75 -0.27 -0.73 1.13 1.12 -1.14 0.35 114.38 115.59 1n77 h ARG 461 Ca 0.19 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 59.05 1n77 h ARG 461 Cb 0.13 0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.12 1n77 h ARG 461 CO -0.02 -0.18 0.32 -0.09 -3.11 0.00 0.00 179.97 176.89 1n77 h ARG 462 N -0.28 1.06 -0.17 0.20 2.43 -1.24 -2.07 114.38 114.32 1n77 h ARG 462 Ca 0.12 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1n77 h ARG 462 Cb 0.47 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1n77 h ARG 462 CO -0.36 0.84 -0.18 1.25 -1.51 0.00 0.00 179.97 180.02 1n77 h LEU 463 N 1.05 0.27 -0.86 3.80 6.46 0.18 -2.69 115.31 123.51 1n77 h LEU 463 Ca 0.25 -0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.83 1n77 h LEU 463 Cb 0.15 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1n77 h LEU 463 CO -0.03 0.47 -0.33 -0.33 -0.62 0.00 0.00 178.44 177.61 1n77 h GLU 464 N 0.26 0.45 0.00 1.25 5.08 0.35 -2.85 114.58 119.12 1n77 h GLU 464 Ca 0.05 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1n77 h GLU 464 Cb 0.48 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1n77 h GLU 464 CO 0.03 0.73 -0.31 0.00 -1.00 0.00 0.00 179.01 178.46 1n77 h ARG 465 N 0.39 0.00 0.00 2.33 3.08 -1.20 0.15 114.38 119.13 1n77 h ARG 465 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1n77 h ARG 465 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1n77 h ARG 465 CO 0.06 0.31 -0.15 0.00 -1.07 0.00 0.00 179.97 179.13 1n77 h ALA 466 N 1.69 0.92 0.00 0.04 0.00 -1.48 -3.24 119.26 117.19 1n77 h ALA 466 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1n77 h ALA 466 Cb 0.62 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1n77 h ALA 466 CO 0.04 0.04 -1.82 1.28 0.00 0.00 0.00 179.25 178.79 1n77 n LEU 467 N -3.06 0.26 0.00 0.00 4.77 -0.91 -5.04 117.00 113.03 1n77 n LEU 467 Ca 0.03 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1n77 n LEU 467 Cb 0.54 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1n77 n LEU 467 CO 0.35 0.07 0.25 0.00 -1.33 0.00 0.00 177.39 176.73