#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dc7 s VAL 19 N 0.00 2.57 0.06 1.59 1.01 -1.26 -5.01 120.40 119.37 3dc7 s VAL 19 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 3dc7 s VAL 19 Cb 0.00 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3dc7 s VAL 19 CO 0.00 0.02 0.04 -0.94 0.00 0.00 0.00 175.10 174.22 3dc7 s SER 20 N 1.36 0.37 0.07 3.32 1.04 -1.26 -4.92 113.70 113.68 3dc7 s SER 20 Ca 0.72 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 56.29 3dc7 s SER 20 Cb -0.44 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 3dc7 s SER 20 CO 0.32 -0.63 -0.09 -0.36 0.98 0.00 0.00 173.24 173.46 3dc7 s PHE 21 N -3.86 0.86 -0.08 5.02 0.08 -1.26 -5.06 117.98 113.67 3dc7 s PHE 21 Ca 0.06 -0.63 0.21 0.00 0.12 0.00 0.00 56.93 56.69 3dc7 s PHE 21 Cb 0.07 -0.49 -0.31 0.00 -0.57 0.00 0.00 43.02 41.72 3dc7 s PHE 21 CO -0.10 -0.07 0.39 1.63 -0.10 0.00 0.00 175.22 176.97 3dc7 n LYS 22 N 0.89 0.67 -3.15 0.44 4.76 -1.26 -4.67 118.16 115.83 3dc7 n LYS 22 Ca -0.19 -0.14 -0.19 0.00 -2.87 0.00 0.00 58.31 54.93 3dc7 n LYS 22 Cb 0.57 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 3dc7 n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3dc7 n ARG 23 N -2.41 1.27 -2.19 1.97 1.74 -1.26 0.00 116.66 115.80 3dc7 n ARG 23 Ca -0.12 -3.58 -0.34 0.00 -0.77 0.00 0.00 57.85 53.05 3dc7 n ARG 23 Cb 0.73 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3dc7 n ARG 23 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3dc7 s PRO 24 N -2.58 3.34 -0.07 5.56 0.04 -1.24 -2.04 135.00 138.01 3dc7 s PRO 24 Ca 0.41 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.94 3dc7 s PRO 24 Cb 0.34 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.86 3dc7 s PRO 24 CO -0.09 -0.83 -0.21 0.00 0.04 0.00 0.00 177.00 175.91 3dc7 s ALA 25 N -2.04 1.88 -0.28 8.56 0.00 0.01 -0.65 121.76 129.24 3dc7 s ALA 25 Ca 0.69 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 3dc7 s ALA 25 Cb -0.20 -0.66 0.05 0.00 0.00 0.00 0.00 23.12 22.31 3dc7 s ALA 25 CO 0.30 0.30 -0.05 -1.58 0.00 0.00 0.00 175.76 174.73 3dc7 s TRP 26 N 0.18 3.24 -0.24 0.00 0.52 0.68 -1.25 118.94 122.07 3dc7 s TRP 26 Ca -0.10 -1.99 -0.08 0.00 0.02 0.00 0.00 56.10 53.95 3dc7 s TRP 26 Cb -0.15 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 3dc7 s TRP 26 CO 0.05 -0.82 0.09 -1.17 0.02 0.00 0.00 176.95 175.12 3dc7 s LEU 27 N 1.21 3.64 0.00 2.99 1.98 0.42 -0.52 118.68 128.40 3dc7 s LEU 27 Ca -0.06 -0.10 0.00 0.00 -2.89 0.00 0.00 54.13 51.08 3dc7 s LEU 27 Cb -0.19 -1.97 0.00 0.00 0.66 0.00 0.00 46.19 44.68 3dc7 s LEU 27 CO -0.03 0.01 0.00 0.61 -1.89 0.00 0.00 176.35 175.05 3dc7 n GLY 28 N 4.64 1.78 0.00 7.98 0.00 -1.15 -0.06 105.19 118.38 3dc7 n GLY 28 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3dc7 n GLY 28 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dc7 n ASP 29 N 0.00 0.00 0.21 1.61 5.68 -1.22 -2.18 116.55 120.65 3dc7 n ASP 29 Ca 0.00 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.44 3dc7 n ASP 29 Cb 0.00 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 40.65 3dc7 n ASP 29 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3dc7 h SER 30 N 0.00 0.00 1.92 -1.12 4.64 -1.88 0.51 113.55 117.61 3dc7 h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dc7 h SER 30 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dc7 h SER 30 CO 0.00 0.00 0.00 0.40 -0.87 0.00 0.00 176.83 176.36 3dc7 h ILE 31 N 0.00 0.00 0.00 0.95 2.04 -1.92 -3.34 117.51 115.23 3dc7 h ILE 31 Ca 0.00 -0.95 -0.38 0.00 1.00 0.00 0.00 64.86 64.53 3dc7 h ILE 31 Cb 0.30 1.94 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 3dc7 h ILE 31 CO 0.00 0.00 -2.38 0.41 0.00 0.00 0.00 178.15 176.18 3dc7 n THR 32 N -3.05 1.37 -1.57 -0.27 -1.04 -0.75 -4.81 114.28 104.16 3dc7 n THR 32 Ca 0.04 -0.46 -0.45 0.00 -2.04 0.00 0.00 64.05 61.14 3dc7 n THR 32 Cb 0.51 -1.53 -0.02 0.00 -1.82 0.00 0.00 70.33 67.47 3dc7 n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dc7 n ALA 33 N -3.56 -0.54 1.73 2.41 0.00 0.10 -4.68 120.51 115.97 3dc7 n ALA 33 Ca -0.45 0.40 0.15 0.00 0.00 0.00 0.00 53.44 53.54 3dc7 n ALA 33 Cb 0.91 -1.97 0.84 0.00 0.00 0.00 0.00 19.45 19.23 3dc7 n ALA 33 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dc7 n ASN 34 N 1.31 0.08 -0.08 0.00 0.23 -1.26 -2.74 115.26 112.80 3dc7 n ASN 34 Ca 0.11 -0.67 0.13 0.00 -0.53 0.00 0.00 54.58 53.62 3dc7 n ASN 34 Cb 0.31 -0.11 0.52 0.00 -2.08 0.00 0.00 39.78 38.42 3dc7 n ASN 34 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3dc7 h ASN 35 N 0.11 0.33 -3.39 0.53 -0.26 -1.91 -3.48 115.58 107.52 3dc7 h ASN 35 Ca 0.00 0.01 -0.45 0.00 -0.56 0.00 0.00 56.30 55.30 3dc7 h ASN 35 Cb 0.15 -0.06 0.21 0.00 -1.06 0.00 0.00 38.32 37.56 3dc7 h ASN 35 CO 0.00 0.20 0.03 -0.83 -1.06 0.00 0.00 177.43 175.77 3dc7 s GLY 36 N -3.82 1.57 0.00 2.83 0.00 -1.11 -4.92 107.32 101.88 3dc7 s GLY 36 Ca -0.07 0.00 0.24 0.00 0.00 0.00 0.00 44.72 44.88 3dc7 s GLY 36 CO 0.75 0.68 1.84 1.04 0.00 0.00 0.00 173.10 177.41 3dc7 n LEU 37 N -4.87 0.36 -4.55 0.66 7.99 -1.26 -4.72 117.00 110.60 3dc7 n LEU 37 Ca 0.04 -0.14 -0.34 0.00 -0.01 0.00 0.00 56.01 55.56 3dc7 n LEU 37 Cb 0.54 -0.01 -0.11 0.00 -0.11 0.00 0.00 43.42 43.72 3dc7 n LEU 37 CO 0.56 0.07 -0.30 0.00 -1.51 0.00 0.00 177.39 176.21 3dc7 s ALA 38 N -1.97 3.21 0.11 -1.18 0.00 -1.26 -4.95 121.76 115.72 3dc7 s ALA 38 Ca 0.35 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 3dc7 s ALA 38 Cb 0.17 -1.79 -0.13 0.00 0.00 0.00 0.00 23.12 21.37 3dc7 s ALA 38 CO 0.28 0.11 1.29 1.79 0.00 0.00 0.00 175.76 179.23 3dc7 h THR 39 N 5.06 1.34 -3.70 0.00 1.35 -1.96 -3.41 112.91 111.59 3dc7 h THR 39 Ca -0.35 -2.26 -0.66 0.00 -0.55 0.00 0.00 66.41 62.59 3dc7 h THR 39 Cb 1.18 2.29 -0.40 0.00 -1.73 0.00 0.00 68.15 69.49 3dc7 h THR 39 CO 0.66 0.69 -0.72 -0.69 -0.25 0.00 0.00 175.52 175.21 3dc7 s VAL 40 N -3.41 2.29 0.78 6.82 1.01 -1.26 -5.10 120.40 121.52 3dc7 s VAL 40 Ca -0.08 -2.30 -0.12 0.00 0.00 0.00 0.00 61.98 59.49 3dc7 s VAL 40 Cb 0.08 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.84 3dc7 s VAL 40 CO 0.89 -0.57 1.12 -1.00 0.00 0.00 0.00 175.10 175.54 3dc7 s HIS 41 N 0.92 3.01 0.22 5.22 0.09 -1.26 -4.74 115.29 118.75 3dc7 s HIS 41 Ca 0.10 1.00 -0.08 0.00 -0.00 0.00 0.00 55.06 56.08 3dc7 s HIS 41 Cb -0.19 -3.20 0.34 0.00 -0.00 0.00 0.00 32.58 29.52 3dc7 s HIS 41 CO -0.08 -1.61 1.73 0.10 -0.00 0.00 0.00 174.74 174.89 3dc7 h TYR 42 N -0.96 0.38 0.00 1.40 -0.00 -1.88 -1.62 116.97 114.30 3dc7 h TYR 42 Ca -0.46 0.03 -0.05 0.00 0.00 0.00 0.00 58.73 58.25 3dc7 h TYR 42 Cb 1.28 -0.07 -0.01 0.00 0.00 0.00 0.00 36.73 37.93 3dc7 h TYR 42 CO 0.43 0.05 -0.25 1.12 -0.00 0.00 0.00 178.16 179.52 3dc7 h HIS 43 N 0.38 0.00 -0.49 0.10 2.07 -1.93 -1.77 115.15 113.50 3dc7 h HIS 43 Ca 0.34 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.73 3dc7 h HIS 43 Cb 0.48 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.44 3dc7 h HIS 43 CO -0.19 0.25 -0.20 -0.44 -3.07 0.00 0.00 177.93 174.29 3dc7 h ASP 44 N 0.00 1.02 -0.20 3.10 3.32 -1.68 0.16 116.42 122.14 3dc7 h ASP 44 Ca -0.00 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 3dc7 h ASP 44 Cb 0.72 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3dc7 h ASP 44 CO 0.03 1.18 0.05 0.40 -1.72 0.00 0.00 179.24 179.17 3dc7 h ILE 45 N 0.87 1.21 -0.29 0.35 2.04 -1.14 -2.67 117.51 117.87 3dc7 h ILE 45 Ca 0.12 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 65.17 3dc7 h ILE 45 Cb 0.77 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3dc7 h ILE 45 CO 0.06 0.21 -0.34 -0.07 0.00 0.00 0.00 178.15 178.01 3dc7 h LEU 46 N 0.13 0.81 -0.96 1.44 3.38 -1.23 -1.80 115.31 117.08 3dc7 h LEU 46 Ca 0.06 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 57.65 3dc7 h LEU 46 Cb 0.28 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 3dc7 h LEU 46 CO 0.00 1.13 0.60 0.00 0.09 0.00 0.00 178.44 180.26 3dc7 h ALA 47 N 0.70 1.41 -0.42 1.53 0.00 -0.73 0.23 119.26 121.98 3dc7 h ALA 47 Ca 0.04 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3dc7 h ALA 47 Cb 0.93 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3dc7 h ALA 47 CO 0.08 0.24 -0.09 0.00 0.00 0.00 0.00 179.25 179.48 3dc7 h ALA 48 N 1.50 0.58 -0.81 0.00 0.00 -1.22 -2.05 119.26 117.26 3dc7 h ALA 48 Ca 0.46 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3dc7 h ALA 48 Cb 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3dc7 h ALA 48 CO -0.24 0.45 0.34 -0.44 0.00 0.00 0.00 179.25 179.36 3dc7 h ASP 49 N 0.63 1.11 1.38 0.00 5.19 -0.79 -3.27 116.42 120.68 3dc7 h ASP 49 Ca 0.11 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3dc7 h ASP 49 Cb 0.62 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.84 3dc7 h ASP 49 CO 0.04 0.97 -0.17 -0.50 -3.12 0.00 0.00 179.24 176.46 3dc7 h TRP 50 N 1.18 0.00 -5.32 4.55 6.55 -0.42 -3.48 115.95 119.01 3dc7 h TRP 50 Ca 0.27 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.86 3dc7 h TRP 50 Cb 0.20 0.00 0.18 0.00 -0.86 0.00 0.00 29.16 28.68 3dc7 h TRP 50 CO 0.02 0.00 -0.78 -3.47 -1.05 0.00 0.00 178.44 173.16 3dc7 n ASP 51 N -2.33 -5.33 -4.81 -3.49 4.64 -0.79 -4.76 116.55 99.68 3dc7 n ASP 51 Ca 0.05 -0.64 -0.33 0.00 -1.38 0.00 0.00 54.79 52.49 3dc7 n ASP 51 Cb 0.45 -4.89 -0.01 0.00 -1.04 0.00 0.00 41.12 35.63 3dc7 n ASP 51 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3dc7 s VAL 52 N -3.36 4.02 0.17 5.18 -7.23 -1.17 -4.94 120.40 113.08 3dc7 s VAL 52 Ca 0.33 0.99 0.04 0.00 -1.81 0.00 0.00 61.98 61.53 3dc7 s VAL 52 Cb -0.04 -3.49 -0.15 0.00 0.56 0.00 0.00 36.38 33.26 3dc7 s VAL 52 CO 0.69 -0.53 1.38 -0.33 -0.31 0.00 0.00 175.10 176.00 3dc7 h GLU 53 N 0.70 0.15 -2.44 4.82 5.08 -0.76 -3.48 114.58 118.66 3dc7 h GLU 53 Ca -0.47 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 57.81 3dc7 h GLU 53 Cb 1.21 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.37 3dc7 h GLU 53 CO 0.59 0.93 0.43 -0.98 -1.00 0.00 0.00 179.01 178.99 3dc7 s ARG 54 N -3.16 0.95 -0.29 2.33 1.70 -1.18 -5.06 118.95 114.24 3dc7 s ARG 54 Ca -0.02 -0.37 0.01 0.00 -0.47 0.00 0.00 55.73 54.89 3dc7 s ARG 54 Cb 0.10 0.42 0.16 0.00 -0.57 0.00 0.00 34.95 35.06 3dc7 s ARG 54 CO 0.82 -0.42 0.39 0.45 -1.08 0.00 0.00 175.30 175.47 3dc7 s SER 55 N -2.57 0.56 -0.42 -2.89 0.15 -1.26 -3.65 113.70 103.62 3dc7 s SER 55 Ca 0.05 -0.40 -0.24 0.00 0.70 0.00 0.00 55.95 56.06 3dc7 s SER 55 Cb -0.01 1.02 0.02 0.00 -1.71 0.00 0.00 66.02 65.34 3dc7 s SER 55 CO -0.09 -0.36 0.85 -1.81 1.20 0.00 0.00 173.24 173.03 3dc7 s ASP 56 N 2.52 6.52 -0.60 5.45 1.01 0.18 -4.97 116.67 126.78 3dc7 s ASP 56 Ca 0.10 0.20 -0.23 0.00 0.71 0.00 0.00 52.55 53.33 3dc7 s ASP 56 Cb -0.13 -2.42 0.06 0.00 1.01 0.00 0.00 42.92 41.44 3dc7 s ASP 56 CO -0.30 -0.89 0.91 0.21 0.21 0.00 0.00 175.17 175.31 3dc7 s ASN 57 N 2.05 6.24 -0.48 0.27 3.84 -1.26 -0.23 114.94 125.37 3dc7 s ASN 57 Ca 0.34 -0.76 0.03 0.00 0.21 0.00 0.00 52.86 52.68 3dc7 s ASN 57 Cb -0.12 -2.41 0.45 0.00 -0.55 0.00 0.00 41.25 38.63 3dc7 s ASN 57 CO 0.21 -1.29 1.58 0.18 -2.79 0.00 0.00 177.10 175.00 3dc7 n LEU 58 N 7.42 6.22 -4.76 3.21 4.32 0.32 -4.99 117.00 128.73 3dc7 n LEU 58 Ca -0.02 -4.57 -0.40 0.00 -0.02 0.00 0.00 56.01 51.00 3dc7 n LEU 58 Cb 0.46 -0.65 -0.06 0.00 -1.62 0.00 0.00 43.42 41.56 3dc7 n LEU 58 CO 0.63 1.82 0.48 -0.83 -1.22 0.00 0.00 177.39 178.27 3dc7 s GLY 59 N -2.75 2.87 -0.07 -0.72 0.00 -1.25 -2.95 107.32 102.45 3dc7 s GLY 59 Ca 0.57 0.33 0.02 0.00 0.00 0.00 0.00 44.72 45.64 3dc7 s GLY 59 CO -0.00 0.98 -0.10 -0.42 0.00 0.00 0.00 173.10 173.56 3dc7 s ILE 60 N -0.64 1.01 0.23 0.90 1.01 -0.93 -4.37 121.20 118.41 3dc7 s ILE 60 Ca 0.37 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 3dc7 s ILE 60 Cb -0.22 -0.95 -0.10 0.00 0.01 0.00 0.00 42.46 41.20 3dc7 s ILE 60 CO 0.25 0.33 1.46 -0.55 0.00 0.00 0.00 174.94 176.43 3dc7 s SER 61 N 0.81 6.65 0.00 3.58 0.15 -1.26 -2.34 113.70 121.29 3dc7 s SER 61 Ca -0.12 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.17 3dc7 s SER 61 Cb -0.15 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3dc7 s SER 61 CO 0.02 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.35 3dc7 n GLY 62 N 2.57 0.45 3.77 9.45 0.00 -1.26 -4.84 105.19 115.33 3dc7 n GLY 62 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3dc7 n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dc7 s SER 63 N -2.16 6.87 0.27 1.61 0.15 -0.99 -4.80 113.70 114.64 3dc7 s SER 63 Ca 0.00 2.13 0.10 0.00 0.70 0.00 0.00 55.95 58.88 3dc7 s SER 63 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 3dc7 s SER 63 CO 0.00 -0.42 -0.02 0.42 1.20 0.00 0.00 173.24 174.42 3dc7 s THR 64 N -1.50 3.39 0.07 6.45 -4.23 0.27 -4.52 115.64 115.57 3dc7 s THR 64 Ca 0.54 -1.94 -0.16 0.00 -1.18 0.00 0.00 61.69 58.95 3dc7 s THR 64 Cb -0.26 -2.81 -0.15 0.00 1.34 0.00 0.00 72.50 70.62 3dc7 s THR 64 CO 0.32 -0.37 1.29 0.40 -0.54 0.00 0.00 174.62 175.71 3dc7 h ILE 65 N 1.92 1.33 -3.57 2.99 2.04 -1.88 -3.34 117.51 117.00 3dc7 h ILE 65 Ca -0.44 -1.77 -0.38 0.00 1.00 0.00 0.00 64.86 63.27 3dc7 h ILE 65 Cb 1.25 2.01 0.16 0.00 -0.74 0.00 0.00 36.82 39.50 3dc7 h ILE 65 CO 0.60 0.54 0.33 0.61 0.00 0.00 0.00 178.15 180.24 3dc7 n GLY 66 N 0.58 -1.66 0.31 5.37 0.00 -1.26 -2.21 105.19 106.32 3dc7 n GLY 66 Ca -0.07 -1.67 0.18 0.00 0.00 0.00 0.00 46.02 44.46 3dc7 n GLY 66 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dc7 h SER 67 N -1.70 0.00 0.28 1.61 4.64 -1.89 -3.35 113.55 113.14 3dc7 h SER 67 Ca -0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3dc7 h SER 67 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3dc7 h SER 67 CO 0.27 0.01 -0.13 0.03 -0.87 0.00 0.00 176.83 176.13 3dc7 h ARG 68 N 0.00 -0.36 -3.40 4.77 3.08 -1.93 -3.42 114.38 113.13 3dc7 h ARG 68 Ca -0.00 0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.56 3dc7 h ARG 68 Cb 0.04 0.08 -0.40 0.00 0.08 0.00 0.00 29.97 29.77 3dc7 h ARG 68 CO 0.00 -0.20 -0.76 0.71 -1.07 0.00 0.00 179.97 178.65 3dc7 s TYR 69 N -5.88 0.89 -0.98 3.04 1.51 -1.26 -4.92 117.35 109.75 3dc7 s TYR 69 Ca -0.15 -0.86 -0.14 0.00 -1.01 0.00 0.00 57.07 54.91 3dc7 s TYR 69 Cb 0.04 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.88 3dc7 s TYR 69 CO 0.63 -0.64 0.66 -0.25 -1.11 0.00 0.00 175.55 174.85 3dc7 n ASP 70 N 5.08 -4.94 -3.04 2.29 8.00 -1.26 -0.57 116.55 122.12 3dc7 n ASP 70 Ca -0.08 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3dc7 n ASP 70 Cb 0.46 -2.19 0.00 0.00 -0.02 0.00 0.00 41.12 39.37 3dc7 n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dc7 n ALA 71 N -3.54 0.00 0.00 2.24 0.00 -1.25 -4.20 120.51 113.76 3dc7 n ALA 71 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3dc7 n ALA 71 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3dc7 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dc7 n ALA 73 N -2.14 0.00 -0.03 0.00 0.00 -0.94 -0.71 120.51 116.69 3dc7 n ALA 73 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3dc7 n ALA 73 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3dc7 n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dc7 n VAL 74 N 0.11 0.38 0.28 0.00 0.31 -1.26 -4.56 118.33 113.59 3dc7 n VAL 74 Ca 0.00 -0.15 0.17 0.00 -0.01 0.00 0.00 64.34 64.35 3dc7 n VAL 74 Cb 0.00 -0.74 0.67 0.00 -0.91 0.00 0.00 33.84 32.86 3dc7 n VAL 74 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3dc7 h ARG 75 N 0.00 0.00 0.00 5.55 3.08 -1.25 -3.19 114.38 118.57 3dc7 h ARG 75 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3dc7 h ARG 75 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3dc7 h ARG 75 CO -0.02 0.00 0.18 0.10 -1.07 0.00 0.00 179.97 179.16 3dc7 h TYR 76 N 0.00 0.00 0.00 3.04 -0.00 -1.85 0.42 116.97 118.58 3dc7 h TYR 76 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3dc7 h TYR 76 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.25 3dc7 h TYR 76 CO 0.00 0.00 -0.01 1.96 -0.00 0.00 0.00 178.16 180.11 3dc7 h GLN 77 N 0.00 0.00 0.00 0.10 4.20 -1.93 -1.92 115.11 115.56 3dc7 h GLN 77 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dc7 h GLN 77 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3dc7 h GLN 77 CO 0.00 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 3dc7 n ALA 78 N -2.09 1.71 -1.78 3.87 0.00 0.14 -4.81 120.51 117.53 3dc7 n ALA 78 Ca -0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 3dc7 n ALA 78 Cb 0.26 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 3dc7 n ALA 78 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dc7 s ILE 79 N -3.05 2.18 0.35 0.00 1.01 -0.73 -4.93 121.20 116.04 3dc7 s ILE 79 Ca 0.07 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.57 3dc7 s ILE 79 Cb 0.10 -3.09 -0.11 0.00 0.01 0.00 0.00 42.46 39.37 3dc7 s ILE 79 CO 0.30 0.02 1.52 -2.84 0.00 0.00 0.00 174.94 173.94 3dc7 s PRO 80 N 0.41 4.12 0.36 2.79 0.02 -1.26 -4.91 135.00 136.53 3dc7 s PRO 80 Ca 0.68 2.57 0.13 0.00 0.02 0.00 0.00 61.00 64.40 3dc7 s PRO 80 Cb -0.47 -2.99 0.94 0.00 0.02 0.00 0.00 34.50 32.00 3dc7 s PRO 80 CO 0.39 -0.56 1.79 1.49 -0.33 0.00 0.00 177.00 179.78 3dc7 h GLU 81 N 3.58 0.54 -0.55 5.54 4.81 -1.94 -2.30 114.58 124.27 3dc7 h GLU 81 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3dc7 h GLU 81 Cb 1.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3dc7 h GLU 81 CO 0.69 0.36 0.00 -0.40 -0.73 0.00 0.00 179.01 178.93 3dc7 n ASP 82 N -4.67 3.00 -4.60 1.04 5.75 -1.26 -4.97 116.55 110.84 3dc7 n ASP 82 Ca 0.23 -2.08 -0.49 0.00 -0.01 0.00 0.00 54.79 52.45 3dc7 n ASP 82 Cb 0.71 -0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 40.37 3dc7 n ASP 82 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dc7 n ALA 83 N 0.97 -0.40 0.14 2.12 0.00 -0.87 -4.90 120.51 117.58 3dc7 n ALA 83 Ca 0.18 0.47 0.10 0.00 0.00 0.00 0.00 53.44 54.18 3dc7 n ALA 83 Cb 0.50 -2.09 0.19 0.00 0.00 0.00 0.00 19.45 18.05 3dc7 n ALA 83 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3dc7 n ASP 84 N 2.23 3.23 -3.64 0.00 5.75 -0.87 -4.93 116.55 118.33 3dc7 n ASP 84 Ca 0.15 -1.93 -0.08 0.00 -0.01 0.00 0.00 54.79 52.92 3dc7 n ASP 84 Cb 0.25 -0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 3dc7 n ASP 84 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3dc7 s PHE 85 N -1.26 -0.51 -0.09 2.11 5.36 -1.26 -4.30 117.98 118.04 3dc7 s PHE 85 Ca 0.34 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 3dc7 s PHE 85 Cb 0.19 0.36 0.02 0.00 -0.34 0.00 0.00 43.02 43.26 3dc7 s PHE 85 CO 0.26 -0.25 -0.06 0.42 -1.46 0.00 0.00 175.22 174.14 3dc7 s ILE 86 N 0.42 0.83 -0.10 3.12 1.01 -0.76 -0.81 121.20 124.91 3dc7 s ILE 86 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3dc7 s ILE 86 Cb -0.05 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 3dc7 s ILE 86 CO -0.08 0.32 -0.12 0.00 0.00 0.00 0.00 174.94 175.07 3dc7 s ALA 87 N 1.48 2.72 -0.22 9.38 0.00 -0.38 -1.43 121.76 133.31 3dc7 s ALA 87 Ca -0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 3dc7 s ALA 87 Cb -0.13 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3dc7 s ALA 87 CO -0.04 0.37 -0.00 0.08 0.00 0.00 0.00 175.76 176.17 3dc7 s VAL 88 N -0.09 3.79 -0.64 0.00 1.01 -0.44 -0.43 120.40 123.59 3dc7 s VAL 88 Ca -0.01 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3dc7 s VAL 88 Cb -0.14 -2.74 0.16 0.00 0.00 0.00 0.00 36.38 33.67 3dc7 s VAL 88 CO 0.03 0.40 0.45 0.12 0.00 0.00 0.00 175.10 176.10 3dc7 s PHE 89 N 1.35 3.19 0.34 5.22 2.19 0.91 -0.05 117.98 131.13 3dc7 s PHE 89 Ca 0.04 -3.18 0.06 0.00 0.33 0.00 0.00 56.93 54.19 3dc7 s PHE 89 Cb -0.15 -2.48 -0.02 0.00 -1.31 0.00 0.00 43.02 39.06 3dc7 s PHE 89 CO 0.00 -0.60 0.32 0.41 1.83 0.00 0.00 175.22 177.18 3dc7 n GLY 90 N 2.23 2.75 0.00 13.12 0.00 -1.22 -3.43 105.19 118.64 3dc7 n GLY 90 Ca 0.19 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3dc7 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dc7 n GLY 91 N -0.62 2.20 0.37 -0.02 0.00 -1.26 -4.56 105.19 101.29 3dc7 n GLY 91 Ca 0.06 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.49 3dc7 n GLY 91 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3dc7 h VAL 92 N 0.00 1.16 -0.03 1.61 3.04 -1.92 -0.32 116.25 119.79 3dc7 h VAL 92 Ca 0.00 -0.40 -0.17 0.00 -1.01 0.00 0.00 66.70 65.12 3dc7 h VAL 92 Cb 0.00 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.17 3dc7 h VAL 92 CO 0.00 0.21 -0.75 0.78 -1.01 0.00 0.00 177.57 176.80 3dc7 h ASN 93 N 1.16 0.24 -0.44 3.17 2.35 -1.93 0.44 115.58 120.57 3dc7 h ASN 93 Ca 0.36 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 3dc7 h ASN 93 Cb -0.00 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3dc7 h ASN 93 CO -0.11 0.90 0.20 0.44 -1.65 0.00 0.00 177.43 177.22 3dc7 h ASP 94 N 0.13 0.28 0.80 5.81 5.19 -1.61 0.20 116.42 127.21 3dc7 h ASP 94 Ca -0.02 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.38 3dc7 h ASP 94 Cb 1.32 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.82 3dc7 h ASP 94 CO 0.11 0.20 -0.38 0.22 -3.12 0.00 0.00 179.24 176.27 3dc7 h TYR 95 N 0.41 -0.99 0.00 4.55 3.20 -0.92 -0.78 116.97 122.44 3dc7 h TYR 95 Ca 0.19 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3dc7 h TYR 95 Cb 0.12 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3dc7 h TYR 95 CO -0.11 -0.61 0.00 0.78 -1.64 0.00 0.00 178.16 176.58 3dc7 h GLY 96 N -1.25 0.00 -0.83 1.82 0.00 -0.85 -2.79 103.07 99.16 3dc7 h GLY 96 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3dc7 h GLY 96 CO 0.18 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.26 3dc7 n ARG 97 N -2.61 2.38 -3.29 4.80 1.74 0.70 -3.49 116.66 116.88 3dc7 n ARG 97 Ca 0.02 -2.49 -0.16 0.00 -0.77 0.00 0.00 57.85 54.45 3dc7 n ARG 97 Cb 0.29 -1.55 0.08 0.00 -1.02 0.00 0.00 32.46 30.26 3dc7 n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dc7 n ASP 98 N -0.68 -2.84 -4.71 0.55 8.00 -1.05 -4.98 116.55 110.84 3dc7 n ASP 98 Ca 0.16 -0.53 -0.42 0.00 0.71 0.00 0.00 54.79 54.71 3dc7 n ASP 98 Cb 0.67 -4.53 -0.03 0.00 -0.02 0.00 0.00 41.12 37.21 3dc7 n ASP 98 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3dc7 s GLN 99 N -5.39 4.42 0.13 -1.24 2.00 -0.31 -4.97 119.66 114.30 3dc7 s GLN 99 Ca 0.11 1.73 -0.35 0.00 -2.00 0.00 0.00 55.36 54.85 3dc7 s GLN 99 Cb -0.05 -3.41 -0.15 0.00 0.80 0.00 0.00 33.01 30.20 3dc7 s GLN 99 CO 0.64 -0.30 1.42 -2.30 -0.50 0.00 0.00 175.29 174.25 3dc7 n PRO 100 N 4.27 1.60 -0.11 1.67 -0.02 -1.26 -4.80 135.00 136.34 3dc7 n PRO 100 Ca 0.09 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3dc7 n PRO 100 Cb 0.47 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3dc7 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3dc7 h LEU 101 N 4.95 0.97 0.00 2.45 6.46 -1.93 0.73 115.31 128.94 3dc7 h LEU 101 Ca -0.46 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 56.82 3dc7 h LEU 101 Cb 1.30 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 3dc7 h LEU 101 CO 0.81 1.25 0.00 0.61 -0.62 0.00 0.00 178.44 180.49 3dc7 n GLY 102 N 0.17 -0.04 3.16 3.75 0.00 -1.26 -1.94 105.19 109.03 3dc7 n GLY 102 Ca -0.03 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 3dc7 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dc7 s GLN 103 N 0.00 0.81 -0.16 1.61 -0.21 -1.26 -4.88 119.66 115.58 3dc7 s GLN 103 Ca 0.00 -1.33 -0.33 0.00 0.02 0.00 0.00 55.36 53.72 3dc7 s GLN 103 Cb 0.00 -0.16 -0.10 0.00 1.00 0.00 0.00 33.01 33.75 3dc7 s GLN 103 CO 0.00 -0.03 2.01 0.98 -2.12 0.00 0.00 175.29 176.13 3dc7 n TYR 104 N -0.03 2.14 0.00 0.91 9.36 -1.26 -1.78 117.16 126.50 3dc7 n TYR 104 Ca -0.12 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.11 3dc7 n TYR 104 Cb 0.61 -2.66 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 3dc7 n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dc7 n GLY 105 N 5.06 0.81 3.77 2.98 0.00 -1.26 -5.11 105.19 111.44 3dc7 n GLY 105 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 3dc7 n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dc7 s ASP 106 N -1.52 4.63 0.00 1.61 1.01 -0.73 -5.01 116.67 116.66 3dc7 s ASP 106 Ca 0.00 1.89 0.00 0.00 0.71 0.00 0.00 52.55 55.15 3dc7 s ASP 106 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3dc7 s ASP 106 CO 0.00 -1.95 0.04 0.00 0.21 0.00 0.00 175.17 173.47 3dc7 n ASP 108 N -0.24 0.00 0.00 0.00 9.92 -1.26 -4.83 116.55 120.14 3dc7 n ASP 108 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3dc7 n ASP 108 Cb 0.04 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 3dc7 n ASP 108 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3dc7 n THR 110 N 0.00 0.00 -4.34 -3.53 -2.24 -1.26 -2.56 114.28 100.36 3dc7 n THR 110 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 3dc7 n THR 110 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 3dc7 n THR 110 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dc7 s THR 111 N 0.00 3.03 0.10 4.28 -4.23 -1.26 -4.29 115.64 113.28 3dc7 s THR 111 Ca 0.00 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 58.44 3dc7 s THR 111 Cb 0.00 -2.54 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 3dc7 s THR 111 CO 0.00 -0.22 1.61 0.15 -0.54 0.00 0.00 174.62 175.61 3dc7 h PHE 112 N 2.58 0.45 -0.74 3.99 3.57 -0.64 -0.39 116.94 125.77 3dc7 h PHE 112 Ca -0.45 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.03 3dc7 h PHE 112 Cb 1.23 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 3dc7 h PHE 112 CO 0.69 0.49 0.47 1.88 -2.23 0.00 0.00 178.31 179.61 3dc7 h TYR 113 N 0.28 0.89 -0.22 0.41 0.05 -1.66 -1.52 116.97 115.20 3dc7 h TYR 113 Ca 0.09 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.74 3dc7 h TYR 113 Cb 0.26 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 3dc7 h TYR 113 CO 0.01 0.52 -0.47 0.78 -1.05 0.00 0.00 178.16 177.95 3dc7 h GLY 114 N 0.94 0.64 1.02 3.88 0.00 -1.63 -3.18 103.07 104.73 3dc7 h GLY 114 Ca 0.29 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 3dc7 h GLY 114 CO -0.10 0.61 -0.18 0.00 0.00 0.00 0.00 176.54 176.88 3dc7 h ALA 115 N 1.02 0.56 -0.01 3.60 0.00 -0.78 -3.41 119.26 120.24 3dc7 h ALA 115 Ca 0.03 -0.36 -0.39 0.00 0.00 0.00 0.00 54.91 54.18 3dc7 h ALA 115 Cb 1.00 -0.14 0.10 0.00 0.00 0.00 0.00 17.79 18.75 3dc7 h ALA 115 CO 0.09 0.50 1.05 1.28 0.00 0.00 0.00 179.25 182.17 3dc7 n LEU 116 N -4.25 0.54 0.00 0.00 4.77 -0.59 -4.61 117.00 112.86 3dc7 n LEU 116 Ca -0.01 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 3dc7 n LEU 116 Cb 0.42 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3dc7 n LEU 116 CO 0.44 -1.96 0.00 -0.11 -1.33 0.00 0.00 177.39 174.44 3dc7 n LEU 119 N 8.86 0.00 -0.14 2.23 0.00 -1.26 -4.57 117.00 122.11 3dc7 n LEU 119 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 56.27 3dc7 n LEU 119 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.80 3dc7 n LEU 119 CO 0.93 0.00 0.86 -0.07 0.00 0.00 0.00 177.39 179.11 3dc7 h LEU 120 N 0.00 0.62 -0.16 -1.96 3.38 -1.97 0.30 115.31 115.53 3dc7 h LEU 120 Ca 0.00 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3dc7 h LEU 120 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3dc7 h LEU 120 CO 0.00 0.70 -0.00 0.74 0.09 0.00 0.00 178.44 179.97 3dc7 h THR 121 N 0.52 0.89 -0.27 0.22 2.02 -1.96 -1.59 112.91 112.73 3dc7 h THR 121 Ca 0.13 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.35 3dc7 h THR 121 Cb 0.32 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 3dc7 h THR 121 CO 0.00 0.01 -0.10 1.23 0.37 0.00 0.00 175.52 177.03 3dc7 h GLY 122 N 0.05 0.15 1.00 2.16 0.00 -1.87 -0.51 103.07 104.05 3dc7 h GLY 122 Ca 0.07 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 3dc7 h GLY 122 CO -0.13 -0.13 0.14 1.41 0.00 0.00 0.00 176.54 177.84 3dc7 h LEU 123 N -0.05 0.83 -0.23 3.11 3.38 -0.76 -1.93 115.31 119.67 3dc7 h LEU 123 Ca 0.14 -0.23 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 3dc7 h LEU 123 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3dc7 h LEU 123 CO -0.31 0.84 -0.91 1.56 0.09 0.00 0.00 178.44 179.72 3dc7 h GLN 124 N 0.78 0.15 -0.21 1.13 1.08 -1.15 -0.69 115.11 116.20 3dc7 h GLN 124 Ca 0.17 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3dc7 h GLN 124 Cb 0.33 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 3dc7 h GLN 124 CO 0.00 0.96 0.07 1.15 -0.95 0.00 0.00 178.83 180.05 3dc7 h THR 125 N 0.08 1.19 0.02 -0.54 2.02 -1.01 -3.21 112.91 111.45 3dc7 h THR 125 Ca -0.04 -0.59 -0.30 0.00 0.77 0.00 0.00 66.41 66.25 3dc7 h THR 125 Cb 1.56 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 69.11 3dc7 h THR 125 CO 0.13 0.19 -1.73 0.59 0.37 0.00 0.00 175.52 175.07 3dc7 n ASN 126 N -4.79 1.04 -2.94 4.18 3.02 -0.73 -4.42 115.26 110.61 3dc7 n ASN 126 Ca -0.04 0.40 -0.27 0.00 -0.03 0.00 0.00 54.58 54.64 3dc7 n ASN 126 Cb 0.15 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 3dc7 n ASN 126 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3dc7 n TRP 127 N -3.10 3.87 0.24 3.10 8.01 -0.27 -4.94 117.44 124.34 3dc7 n TRP 127 Ca -0.18 -3.97 0.07 0.00 -1.31 0.00 0.00 57.50 52.11 3dc7 n TRP 127 Cb 1.05 -0.48 0.58 0.00 -2.01 0.00 0.00 31.31 30.45 3dc7 n TRP 127 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3dc7 h PRO 128 N 2.97 0.00 -0.32 -0.99 0.13 -1.74 -2.49 132.00 129.55 3dc7 h PRO 128 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3dc7 h PRO 128 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3dc7 h PRO 128 CO 0.81 0.15 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 3dc7 n THR 129 N -4.19 0.44 -3.51 1.56 -2.24 -1.26 -4.96 114.28 100.12 3dc7 n THR 129 Ca -0.02 -0.72 -0.37 0.00 -2.27 0.00 0.00 64.05 60.67 3dc7 n THR 129 Cb 0.22 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3dc7 n THR 129 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dc7 s VAL 130 N -1.48 5.28 0.48 2.28 1.01 -0.94 -5.06 120.40 121.97 3dc7 s VAL 130 Ca 0.35 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 62.71 3dc7 s VAL 130 Cb 0.21 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 3dc7 s VAL 130 CO 0.30 0.39 1.28 -2.84 0.00 0.00 0.00 175.10 174.23 3dc7 s PRO 131 N 0.39 3.58 0.06 2.72 0.02 -1.26 -4.89 135.00 135.62 3dc7 s PRO 131 Ca 0.18 2.07 -0.25 0.00 0.02 0.00 0.00 61.00 63.03 3dc7 s PRO 131 Cb -0.13 -2.45 0.06 0.00 0.02 0.00 0.00 34.50 32.00 3dc7 s PRO 131 CO 0.05 -0.79 0.58 -1.59 -0.33 0.00 0.00 177.00 174.93 3dc7 s LYS 132 N -2.65 1.11 0.04 5.54 -2.85 -1.26 -1.83 119.74 117.84 3dc7 s LYS 132 Ca 0.65 -0.18 -0.18 0.00 -1.00 0.00 0.00 55.97 55.25 3dc7 s LYS 132 Cb -0.36 0.51 0.04 0.00 -2.06 0.00 0.00 37.83 35.96 3dc7 s LYS 132 CO 0.44 -0.42 0.42 -0.48 0.10 0.00 0.00 175.35 175.42 3dc7 s LEU 133 N -2.01 0.37 -0.12 2.77 0.05 -0.51 -4.18 118.68 115.05 3dc7 s LEU 133 Ca -0.05 0.03 -0.09 0.00 0.05 0.00 0.00 54.13 54.07 3dc7 s LEU 133 Cb -0.01 1.76 -0.04 0.00 -2.05 0.00 0.00 46.19 45.85 3dc7 s LEU 133 CO -0.02 -0.66 0.19 -0.36 -0.55 0.00 0.00 176.35 174.95 3dc7 s PHE 134 N -2.39 3.58 -0.13 3.48 0.40 -0.79 -1.33 117.98 120.81 3dc7 s PHE 134 Ca -0.06 0.58 0.01 0.00 -0.60 0.00 0.00 56.93 56.86 3dc7 s PHE 134 Cb -0.01 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 3dc7 s PHE 134 CO -0.02 0.62 -0.15 0.42 0.70 0.00 0.00 175.22 176.79 3dc7 s ILE 135 N -0.72 2.84 -0.13 0.64 1.01 0.93 0.13 121.20 125.91 3dc7 s ILE 135 Ca 0.15 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 3dc7 s ILE 135 Cb -0.13 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3dc7 s ILE 135 CO 0.05 0.53 0.14 -0.44 0.00 0.00 0.00 174.94 175.21 3dc7 s SER 136 N 0.40 6.38 0.70 3.58 0.01 0.23 -3.45 113.70 121.54 3dc7 s SER 136 Ca -0.12 0.45 -0.15 0.00 1.31 0.00 0.00 55.95 57.45 3dc7 s SER 136 Cb -0.16 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.02 3dc7 s SER 136 CO 0.06 0.39 1.14 0.00 0.41 0.00 0.00 173.24 175.24 3dc7 s ALA 137 N -0.93 2.30 0.64 1.44 0.00 -1.26 -1.71 121.76 122.24 3dc7 s ALA 137 Ca 0.15 0.64 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 3dc7 s ALA 137 Cb -0.12 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3dc7 s ALA 137 CO 0.04 -1.55 1.29 0.42 0.00 0.00 0.00 175.76 175.95 3dc7 s ILE 138 N -2.26 2.08 0.08 0.00 1.01 -1.26 -2.39 121.20 118.46 3dc7 s ILE 138 Ca 0.69 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 3dc7 s ILE 138 Cb -0.23 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.12 3dc7 s ILE 138 CO 0.44 -0.01 1.91 -2.28 0.00 0.00 0.00 174.94 175.00 3dc7 s HIS 139 N -1.40 1.67 0.39 3.97 5.65 -1.26 -4.86 115.29 119.45 3dc7 s HIS 139 Ca 0.82 -0.28 -0.07 0.00 0.25 0.00 0.00 55.06 55.78 3dc7 s HIS 139 Cb -0.37 -4.23 -0.05 0.00 -1.18 0.00 0.00 32.58 26.75 3dc7 s HIS 139 CO 0.39 -5.30 0.71 0.96 -0.65 0.00 0.00 174.74 170.85 3dc7 s ILE 140 N 3.65 4.89 0.00 0.89 -4.36 -1.26 -0.09 121.20 124.92 3dc7 s ILE 140 Ca 0.85 0.31 0.00 0.00 -0.26 0.00 0.00 60.65 61.56 3dc7 s ILE 140 Cb -0.45 -3.77 0.00 0.00 1.25 0.00 0.00 42.46 39.49 3dc7 s ILE 140 CO 0.39 -0.55 0.00 0.61 0.24 0.00 0.00 174.94 175.63 3dc7 n GLY 141 N -1.47 0.25 0.15 6.27 0.00 0.08 -3.98 105.19 106.49 3dc7 n GLY 141 Ca 0.00 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.22 3dc7 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dc7 n SER 142 N -1.01 1.85 -0.16 1.61 7.64 -1.26 -3.46 113.62 118.83 3dc7 n SER 142 Ca 0.00 -1.64 0.14 0.00 1.01 0.00 0.00 58.87 58.38 3dc7 n SER 142 Cb 0.00 -0.04 0.60 0.00 -1.01 0.00 0.00 64.21 63.76 3dc7 n SER 142 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3dc7 n ASP 143 N -0.06 0.60 0.03 6.43 8.00 -1.26 -4.00 116.55 126.29 3dc7 n ASP 143 Ca 0.03 -0.72 -0.11 0.00 0.71 0.00 0.00 54.79 54.70 3dc7 n ASP 143 Cb 0.21 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.19 3dc7 n ASP 143 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3dc7 h PHE 144 N 0.77 -0.16 0.00 1.24 3.57 -1.80 -3.49 116.94 117.07 3dc7 h PHE 144 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3dc7 h PHE 144 Cb 0.37 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3dc7 h PHE 144 CO 0.00 0.30 0.00 0.41 -2.23 0.00 0.00 178.31 176.79 3dc7 n GLY 145 N 0.73 1.09 7.00 2.40 0.00 -1.26 -5.07 105.19 110.08 3dc7 n GLY 145 Ca -0.08 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3dc7 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dc7 n GLY 146 N -1.80 2.79 0.66 -0.02 0.00 -1.26 -1.57 105.19 103.99 3dc7 n GLY 146 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.89 3dc7 n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dc7 n SER 147 N 1.66 1.94 -4.58 1.61 7.64 -1.23 -4.72 113.62 115.94 3dc7 n SER 147 Ca 0.00 -1.91 -0.34 0.00 1.01 0.00 0.00 58.87 57.64 3dc7 n SER 147 Cb 0.00 -0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 3dc7 n SER 147 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3dc7 s PHE 148 N -1.59 2.24 0.20 1.43 0.40 -0.61 -4.37 117.98 115.67 3dc7 s PHE 148 Ca 0.28 -0.26 0.09 0.00 -0.60 0.00 0.00 56.93 56.44 3dc7 s PHE 148 Cb 0.15 -4.30 -0.04 0.00 0.51 0.00 0.00 43.02 39.34 3dc7 s PHE 148 CO 0.20 -1.51 -0.10 0.45 0.70 0.00 0.00 175.22 174.96 3dc7 s SER 149 N 5.86 4.18 0.06 1.36 0.15 -1.26 -4.26 113.70 119.79 3dc7 s SER 149 Ca 0.62 -0.63 0.28 0.00 0.70 0.00 0.00 55.95 56.92 3dc7 s SER 149 Cb 0.00 -0.67 1.08 0.00 -1.71 0.00 0.00 66.02 64.72 3dc7 s SER 149 CO 0.08 0.09 1.86 0.00 1.20 0.00 0.00 173.24 176.47 3dc7 n ALA 150 N -0.08 2.36 -0.78 5.45 0.00 -1.22 -4.53 120.51 121.70 3dc7 n ALA 150 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3dc7 n ALA 150 Cb 0.56 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3dc7 n ALA 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dc7 n VAL 151 N -1.74 0.00 -3.92 0.00 0.31 -1.26 -4.96 118.33 106.77 3dc7 n VAL 151 Ca 0.06 0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.38 3dc7 n VAL 151 Cb 0.37 -0.95 -0.09 0.00 -0.91 0.00 0.00 33.84 32.26 3dc7 n VAL 151 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dc7 s THR 152 N -0.22 0.14 0.90 2.52 -4.23 -1.26 -4.41 115.64 109.08 3dc7 s THR 152 Ca 0.00 -1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 59.23 3dc7 s THR 152 Cb 0.00 -1.09 0.20 0.00 1.34 0.00 0.00 72.50 72.95 3dc7 s THR 152 CO 0.00 -0.65 1.23 -0.46 -0.54 0.00 0.00 174.62 174.20 3dc7 n ASN 153 N 0.45 0.53 0.20 3.99 2.04 0.33 -4.53 115.26 118.27 3dc7 n ASN 153 Ca -0.17 -1.71 0.12 0.00 -0.44 0.00 0.00 54.58 52.37 3dc7 n ASN 153 Cb 0.60 -0.90 0.62 0.00 -2.53 0.00 0.00 39.78 37.57 3dc7 n ASN 153 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 3dc7 h GLY 154 N -1.37 0.00 -1.66 4.83 0.00 -1.86 -1.16 103.07 101.85 3dc7 h GLY 154 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3dc7 h GLY 154 CO 0.32 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.90 3dc7 n LEU 155 N -2.35 2.75 0.00 3.11 4.77 -1.26 -4.97 117.00 119.05 3dc7 n LEU 155 Ca -0.02 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 3dc7 n LEU 155 Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3dc7 n LEU 155 CO 0.10 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3dc7 n GLY 156 N 1.14 0.74 3.88 -0.72 0.00 -0.44 -5.07 105.19 104.72 3dc7 n GLY 156 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3dc7 n GLY 156 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dc7 s TYR 157 N -2.21 3.54 0.47 1.61 2.02 -1.26 -4.82 117.35 116.70 3dc7 s TYR 157 Ca 0.00 0.69 -0.10 0.00 -0.37 0.00 0.00 57.07 57.29 3dc7 s TYR 157 Cb 0.00 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 3dc7 s TYR 157 CO 0.00 0.49 0.84 1.03 -1.57 0.00 0.00 175.55 176.34 3dc7 s ARG 158 N -2.18 3.70 0.35 -0.62 0.52 -1.26 -0.51 118.95 118.95 3dc7 s ARG 158 Ca 0.36 0.49 0.05 0.00 -0.52 0.00 0.00 55.73 56.10 3dc7 s ARG 158 Cb -0.13 -2.31 0.70 0.00 0.52 0.00 0.00 34.95 33.73 3dc7 s ARG 158 CO 0.20 -0.19 1.94 0.37 0.02 0.00 0.00 175.30 177.64 3dc7 h GLN 159 N 0.67 0.79 0.00 3.54 4.15 -1.91 -1.86 115.11 120.49 3dc7 h GLN 159 Ca -0.47 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3dc7 h GLN 159 Cb 1.19 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.70 3dc7 h GLN 159 CO 0.63 0.52 0.00 0.66 -1.93 0.00 0.00 178.83 178.71 3dc7 h SER 160 N 0.81 0.00 -0.47 -0.69 4.64 -1.94 -1.82 113.55 114.08 3dc7 h SER 160 Ca 0.34 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.53 3dc7 h SER 160 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3dc7 h SER 160 CO -0.12 0.00 -0.22 0.44 -0.87 0.00 0.00 176.83 176.06 3dc7 h ASP 161 N 0.00 1.01 -0.30 4.97 3.32 -1.72 0.12 116.42 123.82 3dc7 h ASP 161 Ca 0.00 -0.40 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 3dc7 h ASP 161 Cb 0.27 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3dc7 h ASP 161 CO 0.00 1.18 -0.27 1.88 -1.72 0.00 0.00 179.24 180.31 3dc7 h TYR 162 N 0.83 0.84 -0.75 4.55 -1.99 -1.49 -1.81 116.97 117.15 3dc7 h TYR 162 Ca 0.11 -0.25 0.04 0.00 2.00 0.00 0.00 58.73 60.63 3dc7 h TYR 162 Cb 0.80 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 39.30 3dc7 h TYR 162 CO 0.05 0.99 0.47 1.49 -0.00 0.00 0.00 178.16 181.16 3dc7 h GLU 163 N 0.45 0.88 -0.17 4.88 4.57 -1.30 -1.41 114.58 122.48 3dc7 h GLU 163 Ca 0.05 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 3dc7 h GLU 163 Cb 0.84 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 3dc7 h GLU 163 CO 0.07 0.58 -0.22 0.00 -1.18 0.00 0.00 179.01 178.26 3dc7 h ALA 164 N 1.33 1.31 -0.32 2.92 0.00 -0.69 -1.82 119.26 121.99 3dc7 h ALA 164 Ca 0.31 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dc7 h ALA 164 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dc7 h ALA 164 CO -0.13 0.47 0.10 0.00 0.00 0.00 0.00 179.25 179.69 3dc7 h ALA 165 N 1.50 0.42 -0.30 0.00 0.00 -0.55 -2.01 119.26 118.32 3dc7 h ALA 165 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3dc7 h ALA 165 Cb 0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3dc7 h ALA 165 CO 0.04 0.06 0.15 0.82 0.00 0.00 0.00 179.25 180.31 3dc7 h ILE 166 N 0.36 0.99 -0.16 0.00 2.04 -1.09 -2.98 117.51 116.67 3dc7 h ILE 166 Ca 0.10 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3dc7 h ILE 166 Cb 0.25 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 3dc7 h ILE 166 CO -0.00 0.06 -0.22 0.00 0.00 0.00 0.00 178.15 177.98 3dc7 h ALA 167 N 1.15 -0.16 0.00 1.87 0.00 -1.25 -1.06 119.26 119.82 3dc7 h ALA 167 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3dc7 h ALA 167 Cb 0.04 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3dc7 h ALA 167 CO -0.08 -0.67 0.00 1.04 0.00 0.00 0.00 179.25 179.53 3dc7 n GLN 168 N -5.36 0.20 0.00 0.00 6.02 -0.76 -2.62 117.38 114.86 3dc7 n GLN 168 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3dc7 n GLN 168 Cb 0.27 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.47 3dc7 n GLN 168 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3dc7 n THR 170 N 0.07 0.00 -0.27 5.09 -2.24 -0.40 -2.86 114.28 113.67 3dc7 n THR 170 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3dc7 n THR 170 Cb 0.03 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.33 3dc7 n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dc7 h ALA 171 N 0.00 0.95 0.00 6.98 0.00 -1.70 -1.63 119.26 123.86 3dc7 h ALA 171 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dc7 h ALA 171 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3dc7 h ALA 171 CO 0.00 0.34 0.00 -0.44 0.00 0.00 0.00 179.25 179.15 3dc7 h ASP 172 N 0.99 0.00 -0.23 0.00 3.32 -1.83 -1.35 116.42 117.33 3dc7 h ASP 172 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3dc7 h ASP 172 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3dc7 h ASP 172 CO -0.07 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.23 3dc7 n TYR 173 N -2.58 0.30 -1.38 4.55 4.02 -0.69 -4.99 117.16 116.39 3dc7 n TYR 173 Ca -0.01 -0.39 -0.13 0.00 -0.01 0.00 0.00 57.90 57.36 3dc7 n TYR 173 Cb 0.09 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 3dc7 n TYR 173 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dc7 n GLY 174 N 0.39 1.38 3.62 2.72 0.00 -0.51 -4.99 105.19 107.80 3dc7 n GLY 174 Ca 0.09 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3dc7 n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dc7 s VAL 175 N -2.47 4.88 0.43 1.61 1.01 -0.73 -5.01 120.40 120.12 3dc7 s VAL 175 Ca 0.00 1.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.89 3dc7 s VAL 175 Cb 0.00 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 3dc7 s VAL 175 CO 0.00 -0.13 1.11 -2.65 0.00 0.00 0.00 175.10 173.43 3dc7 n PRO 176 N 5.97 1.53 -4.04 2.72 -0.02 -1.26 -4.36 135.00 135.55 3dc7 n PRO 176 Ca 0.02 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 3dc7 n PRO 176 Cb 0.48 -2.17 -0.16 0.00 -0.02 0.00 0.00 33.50 31.63 3dc7 n PRO 176 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3dc7 s HIS 177 N -1.25 2.36 -0.47 6.00 2.46 -1.26 -1.88 115.29 121.24 3dc7 s HIS 177 Ca 0.63 -1.38 -0.18 0.00 0.47 0.00 0.00 55.06 54.60 3dc7 s HIS 177 Cb -0.53 -1.68 0.05 0.00 -0.13 0.00 0.00 32.58 30.28 3dc7 s HIS 177 CO 0.57 -0.71 0.56 -1.17 -2.47 0.00 0.00 174.74 171.51 3dc7 s LEU 178 N 1.43 4.95 -0.62 8.88 2.96 0.12 -4.98 118.68 131.42 3dc7 s LEU 178 Ca 0.04 -0.83 -0.20 0.00 -0.22 0.00 0.00 54.13 52.92 3dc7 s LEU 178 Cb -0.13 -2.44 0.09 0.00 0.50 0.00 0.00 46.19 44.21 3dc7 s LEU 178 CO -0.11 -0.77 0.81 -0.55 -1.32 0.00 0.00 176.35 174.40 3dc7 s SER 179 N 2.37 6.18 0.30 3.68 0.15 -1.26 -0.60 113.70 124.52 3dc7 s SER 179 Ca 0.14 -1.26 0.11 0.00 0.70 0.00 0.00 55.95 55.65 3dc7 s SER 179 Cb -0.19 -2.35 0.47 0.00 -1.71 0.00 0.00 66.02 62.25 3dc7 s SER 179 CO 0.13 -1.24 1.68 -0.07 1.20 0.00 0.00 173.24 174.93 3dc7 h LEU 180 N 10.51 0.00 -0.44 3.45 3.38 -1.58 -1.84 115.31 128.80 3dc7 h LEU 180 Ca -0.29 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3dc7 h LEU 180 Cb 1.08 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 3dc7 h LEU 180 CO 1.13 0.54 -0.27 0.22 0.09 0.00 0.00 178.44 180.16 3dc7 h TYR 181 N 0.00 -0.72 -0.00 1.13 5.03 -1.49 -2.24 116.97 118.68 3dc7 h TYR 181 Ca -0.01 0.05 -0.22 0.00 2.58 0.00 0.00 58.73 61.14 3dc7 h TYR 181 Cb 0.96 0.38 0.02 0.00 1.55 0.00 0.00 36.73 39.64 3dc7 h TYR 181 CO 0.00 -0.34 -0.86 0.00 -1.32 0.00 0.00 178.16 175.64 3dc7 h ARG 182 N -0.18 0.59 -0.00 1.82 3.08 -1.83 -3.42 114.38 114.44 3dc7 h ARG 182 Ca 0.20 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3dc7 h ARG 182 Cb 0.50 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3dc7 h ARG 182 CO -0.54 1.24 -0.01 -0.25 -1.07 0.00 0.00 179.97 179.34 3dc7 n ASP 183 N -4.01 0.67 0.22 7.04 8.00 -0.71 -4.70 116.55 123.06 3dc7 n ASP 183 Ca -0.11 -0.83 0.15 0.00 0.71 0.00 0.00 54.79 54.71 3dc7 n ASP 183 Cb 0.79 0.36 0.63 0.00 -0.02 0.00 0.00 41.12 42.88 3dc7 n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dc7 h ALA 184 N 0.07 1.00 0.00 2.24 0.00 -1.59 -3.49 119.26 117.48 3dc7 h ALA 184 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dc7 h ALA 184 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dc7 h ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3dc7 n GLY 185 N -0.08 0.77 3.62 0.00 0.00 -1.26 -5.00 105.19 103.22 3dc7 n GLY 185 Ca 0.01 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 3dc7 n GLY 185 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dc7 s THR 187 N -2.00 0.00 -2.24 2.61 -1.32 -1.26 -5.18 115.64 106.25 3dc7 s THR 187 Ca 0.00 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 60.78 3dc7 s THR 187 Cb 0.00 -1.00 0.67 0.00 -1.51 0.00 0.00 72.50 70.66 3dc7 s THR 187 CO 0.00 0.00 1.93 0.49 -2.21 0.00 0.00 174.62 174.83 3dc7 n PHE 188 N 2.43 0.00 0.48 9.09 3.72 0.87 -3.23 117.46 130.82 3dc7 n PHE 188 Ca -0.15 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.38 3dc7 n PHE 188 Cb 0.55 -0.01 0.37 0.00 -0.94 0.00 0.00 39.48 39.45 3dc7 n PHE 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dc7 h ALA 189 N 4.16 1.00 -2.41 4.37 0.00 -1.69 -3.20 119.26 121.50 3dc7 h ALA 189 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3dc7 h ALA 189 Cb 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.92 3dc7 h ALA 189 CO 0.00 0.00 -0.14 0.42 0.00 0.00 0.00 179.25 179.53 3dc7 s ILE 190 N -3.18 5.05 0.29 0.00 -1.09 -1.20 -4.96 121.20 116.10 3dc7 s ILE 190 Ca 0.08 -0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 3dc7 s ILE 190 Cb 0.10 -4.00 0.28 0.00 -1.58 0.00 0.00 42.46 37.25 3dc7 s ILE 190 CO 0.59 -0.34 1.78 -0.65 -1.23 0.00 0.00 174.94 175.09 3dc7 h PRO 191 N 8.64 0.73 -0.80 2.79 0.11 -1.88 0.12 132.00 141.70 3dc7 h PRO 191 Ca -0.27 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.89 3dc7 h PRO 191 Cb 1.12 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.01 3dc7 h PRO 191 CO 0.78 0.48 0.52 0.00 -0.21 0.00 0.00 178.00 179.58 3dc7 h ALA 192 N 1.60 1.77 0.04 -0.75 0.00 -1.94 0.31 119.26 120.29 3dc7 h ALA 192 Ca 0.53 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.14 3dc7 h ALA 192 Cb 0.76 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3dc7 h ALA 192 CO -0.36 0.06 -1.63 1.96 0.00 0.00 0.00 179.25 179.27 3dc7 h GLN 193 N 0.72 0.08 -0.73 0.00 4.20 -1.18 -3.30 115.11 114.89 3dc7 h GLN 193 Ca 0.37 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 3dc7 h GLN 193 Cb 0.47 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3dc7 h GLN 193 CO -0.14 0.75 0.29 0.00 -0.67 0.00 0.00 178.83 179.06 3dc7 h ALA 194 N 0.79 1.13 0.00 3.87 0.00 -0.58 -1.36 119.26 123.11 3dc7 h ALA 194 Ca -0.26 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 3dc7 h ALA 194 Cb 1.99 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3dc7 h ALA 194 CO 0.10 0.62 -0.27 0.00 0.00 0.00 0.00 179.25 179.70 3dc7 h ALA 195 N 1.26 1.28 0.09 0.00 0.00 -1.05 -1.99 119.26 118.85 3dc7 h ALA 195 Ca 0.25 -0.25 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 3dc7 h ALA 195 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3dc7 h ALA 195 CO -0.02 0.34 -2.12 -0.89 0.00 0.00 0.00 179.25 176.56 3dc7 n ILE 196 N -3.83 1.71 0.48 0.00 5.41 -1.12 -4.68 119.36 117.33 3dc7 n ILE 196 Ca -0.01 -0.63 0.05 0.00 1.00 0.00 0.00 62.75 63.16 3dc7 n ILE 196 Cb 0.36 -1.66 -0.05 0.00 -0.71 0.00 0.00 39.64 37.58 3dc7 n ILE 196 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3dc7 n TYR 197 N -3.44 0.00 -4.40 1.39 4.01 -0.53 -4.70 117.16 109.49 3dc7 n TYR 197 Ca -0.36 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.17 3dc7 n TYR 197 Cb 1.03 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.96 3dc7 n TYR 197 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3dc7 s SER 198 N -1.93 3.07 0.04 7.72 1.04 -0.75 -0.81 113.70 122.07 3dc7 s SER 198 Ca 0.04 -0.99 -0.13 0.00 0.48 0.00 0.00 55.95 55.34 3dc7 s SER 198 Cb 0.08 -0.22 -0.33 0.00 0.10 0.00 0.00 66.02 65.65 3dc7 s SER 198 CO 0.41 -0.05 1.05 0.58 0.98 0.00 0.00 173.24 176.21 3dc7 h VAL 199 N 2.56 1.33 0.00 5.02 2.07 -0.93 -3.42 116.25 122.88 3dc7 h VAL 199 Ca -0.40 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.38 3dc7 h VAL 199 Cb 1.23 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 3dc7 h VAL 199 CO 0.59 0.82 -0.16 -0.90 0.02 0.00 0.00 177.57 177.94 3dc7 n ASP 200 N -3.69 0.00 0.00 0.57 5.68 -1.26 -4.98 116.55 112.87 3dc7 n ASP 200 Ca -0.15 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 3dc7 n ASP 200 Cb 1.07 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 3dc7 n ASP 200 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3dc7 n THR 201 N 0.00 0.00 0.04 2.12 -2.24 -1.26 -3.56 114.28 109.38 3dc7 n THR 201 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dc7 n THR 201 Cb 0.56 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3dc7 n THR 201 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3dc7 n LEU 202 N 0.00 0.38 -4.71 3.22 7.94 -1.26 -0.74 117.00 121.83 3dc7 n LEU 202 Ca 0.00 0.12 -0.38 0.00 -1.11 0.00 0.00 56.01 54.65 3dc7 n LEU 202 Cb 0.14 -0.06 -0.06 0.00 0.53 0.00 0.00 43.42 43.96 3dc7 n LEU 202 CO 0.00 -0.46 0.13 -1.00 -1.11 0.00 0.00 177.39 174.95 3dc7 s HIS 203 N -2.00 3.48 0.43 1.96 3.76 -1.26 -5.00 115.29 116.66 3dc7 s HIS 203 Ca 0.00 0.79 -0.25 0.00 -0.15 0.00 0.00 55.06 55.45 3dc7 s HIS 203 Cb 0.00 -2.51 -0.08 0.00 1.11 0.00 0.00 32.58 31.10 3dc7 s HIS 203 CO 0.00 0.15 1.33 -2.14 -0.85 0.00 0.00 174.74 173.23 3dc7 s PRO 204 N 0.73 3.80 0.00 8.40 0.02 -1.26 -0.34 135.00 146.35 3dc7 s PRO 204 Ca 0.23 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.46 3dc7 s PRO 204 Cb -0.15 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.71 3dc7 s PRO 204 CO 0.09 -0.65 0.00 0.27 -0.33 0.00 0.00 177.00 176.38 3dc7 n ASN 205 N -0.10 0.00 -0.31 2.53 2.04 0.01 -4.57 115.26 114.85 3dc7 n ASN 205 Ca 0.05 -0.77 -0.04 0.00 -0.44 0.00 0.00 54.58 53.38 3dc7 n ASN 205 Cb 0.44 0.00 0.08 0.00 -2.53 0.00 0.00 39.78 37.76 3dc7 n ASN 205 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 3dc7 h ASN 206 N 0.00 1.00 -0.73 0.53 4.21 -1.87 0.23 115.58 118.95 3dc7 h ASN 206 Ca 0.00 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.42 3dc7 h ASN 206 Cb 0.00 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 36.91 3dc7 h ASN 206 CO 0.00 0.76 0.31 0.00 -1.29 0.00 0.00 177.43 177.20 3dc7 h ALA 207 N 1.28 1.14 -0.60 -0.83 0.00 -1.88 -1.49 119.26 116.88 3dc7 h ALA 207 Ca 0.30 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3dc7 h ALA 207 Cb -0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3dc7 h ALA 207 CO -0.06 0.62 0.21 0.78 0.00 0.00 0.00 179.25 180.80 3dc7 h GLY 208 N 1.12 0.99 1.73 0.00 0.00 -1.50 -2.57 103.07 102.85 3dc7 h GLY 208 Ca 0.25 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 3dc7 h GLY 208 CO -0.02 0.54 -0.25 0.45 0.00 0.00 0.00 176.54 177.26 3dc7 h HIS 209 N 0.85 0.35 -0.65 5.60 -0.00 -0.77 -1.24 115.15 119.29 3dc7 h HIS 209 Ca 0.20 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 3dc7 h HIS 209 Cb 0.26 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.55 3dc7 h HIS 209 CO 0.02 0.54 0.41 0.00 -0.00 0.00 0.00 177.93 178.91 3dc7 h ARG 210 N 0.28 0.87 -0.05 2.45 3.08 -1.14 -0.17 114.38 119.69 3dc7 h ARG 210 Ca 0.04 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3dc7 h ARG 210 Cb 0.60 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 3dc7 h ARG 210 CO 0.04 0.59 0.02 0.28 -1.07 0.00 0.00 179.97 179.83 3dc7 h VAL 211 N 0.88 1.16 -0.80 2.04 2.07 -1.04 -2.60 116.25 117.96 3dc7 h VAL 211 Ca 0.24 -0.49 0.13 0.00 0.82 0.00 0.00 66.70 67.40 3dc7 h VAL 211 Cb -0.07 1.39 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 3dc7 h VAL 211 CO -0.05 0.14 0.40 0.40 0.02 0.00 0.00 177.57 178.48 3dc7 h ILE 212 N -0.10 0.76 -0.93 4.57 2.04 -1.05 -1.73 117.51 121.07 3dc7 h ILE 212 Ca 0.02 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3dc7 h ILE 212 Cb 0.20 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 3dc7 h ILE 212 CO -0.00 0.11 0.61 0.00 0.00 0.00 0.00 178.15 178.87 3dc7 h ALA 213 N 1.52 1.20 -0.30 1.87 0.00 -0.83 -1.04 119.26 121.68 3dc7 h ALA 213 Ca 0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3dc7 h ALA 213 Cb 0.56 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3dc7 h ALA 213 CO -0.34 0.53 0.05 0.00 0.00 0.00 0.00 179.25 179.49 3dc7 h ARG 214 N 1.22 0.49 -0.58 0.00 3.08 -0.98 -1.03 114.38 116.58 3dc7 h ARG 214 Ca 0.35 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3dc7 h ARG 214 Cb -0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3dc7 h ARG 214 CO -0.10 0.59 0.21 0.87 -1.07 0.00 0.00 179.97 180.47 3dc7 h LYS 215 N 0.32 0.88 -0.19 0.04 1.79 -1.10 0.09 116.57 118.40 3dc7 h LYS 215 Ca 0.09 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 3dc7 h LYS 215 Cb 0.33 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3dc7 h LYS 215 CO 0.00 0.77 0.09 1.25 -1.08 0.00 0.00 179.45 180.48 3dc7 h LEU 216 N 0.80 0.24 -0.72 2.94 6.46 -1.16 -0.21 115.31 123.66 3dc7 h LEU 216 Ca 0.19 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 3dc7 h LEU 216 Cb 0.24 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 3dc7 h LEU 216 CO -0.01 0.30 0.46 -0.61 -0.62 0.00 0.00 178.44 177.96 3dc7 h GLN 217 N 0.17 0.96 0.26 1.25 5.75 -0.95 -0.29 115.11 122.26 3dc7 h GLN 217 Ca 0.06 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3dc7 h GLN 217 Cb 0.12 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.46 3dc7 h GLN 217 CO -0.01 0.65 -0.15 0.77 -2.65 0.00 0.00 178.83 177.45 3dc7 h SER 218 N 0.98 -0.36 -0.83 -0.69 0.02 -0.78 -1.84 113.55 110.05 3dc7 h SER 218 Ca 0.26 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.30 3dc7 h SER 218 Cb -0.08 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 3dc7 h SER 218 CO -0.05 -0.24 0.51 0.15 -1.14 0.00 0.00 176.83 176.05 3dc7 h PHE 219 N -0.39 0.93 -0.89 3.45 3.04 -0.83 -1.63 116.94 120.63 3dc7 h PHE 219 Ca -0.03 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 3dc7 h PHE 219 Cb 0.32 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.49 3dc7 h PHE 219 CO -0.08 0.46 0.50 -0.07 -2.02 0.00 0.00 178.31 177.10 3dc7 h LEU 220 N 0.91 1.11 -1.24 0.59 4.07 -0.86 -2.45 115.31 117.44 3dc7 h LEU 220 Ca 0.37 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 58.19 3dc7 h LEU 220 Cb 0.20 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 3dc7 h LEU 220 CO -0.18 0.88 -0.25 0.44 -1.08 0.00 0.00 178.44 178.24 3dc7 h ASP 221 N 1.25 0.00 0.09 -0.43 3.32 -0.45 -1.87 116.42 118.32 3dc7 h ASP 221 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3dc7 h ASP 221 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3dc7 h ASP 221 CO -0.05 0.25 -0.79 -1.54 -1.72 0.00 0.00 179.24 175.39 3dc7 n SER 222 N -3.52 1.12 -0.01 6.45 3.41 -0.89 -4.35 113.62 115.84 3dc7 n SER 222 Ca -0.00 -0.98 0.02 0.00 -0.26 0.00 0.00 58.87 57.64 3dc7 n SER 222 Cb 0.41 0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 65.08 3dc7 n SER 222 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3dc7 n HIS 223 N -1.17 0.00 -4.12 7.33 8.25 -0.94 -5.04 115.22 119.53 3dc7 n HIS 223 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.37 3dc7 n HIS 223 Cb 0.36 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.35 3dc7 n HIS 223 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dc7 s PHE 224 N -1.25 0.92 0.46 4.41 0.08 -0.71 -5.07 117.98 116.82 3dc7 s PHE 224 Ca 0.01 -0.53 0.03 0.00 0.12 0.00 0.00 56.93 56.56 3dc7 s PHE 224 Cb 0.03 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.96 3dc7 s PHE 224 CO 0.13 -0.03 0.66 -0.51 -0.10 0.00 0.00 175.22 175.37 3dc7 s LEU 225 N -1.84 3.57 0.00 -0.37 1.43 -1.26 -4.65 118.68 115.55 3dc7 s LEU 225 Ca -0.04 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 3dc7 s LEU 225 Cb -0.08 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.23 3dc7 s LEU 225 CO 0.01 -0.82 0.00 1.21 0.23 0.00 0.00 176.35 176.98