#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdr h GLY 12 N 0.00 0.26 1.35 4.83 0.00 -2.05 -2.84 103.07 104.61 2wdr h GLY 12 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 2wdr h GLY 12 CO 0.00 0.22 -0.35 -2.08 0.00 0.00 0.00 176.54 174.33 2wdr h VAL 13 N 0.20 1.28 0.63 4.60 2.07 -2.05 -1.16 116.25 121.82 2wdr h VAL 13 Ca 0.02 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 2wdr h VAL 13 Cb 0.80 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2wdr h VAL 13 CO 0.06 0.49 -0.36 -0.74 0.02 0.00 0.00 177.57 177.04 2wdr h HIS 14 N 0.60 -0.94 -0.64 1.57 6.17 -1.96 -1.83 115.15 118.14 2wdr h HIS 14 Ca 0.06 -0.01 0.13 0.00 0.71 0.00 0.00 60.37 61.26 2wdr h HIS 14 Cb 0.87 0.33 -0.10 0.00 2.52 0.00 0.00 27.41 31.03 2wdr h HIS 14 CO 0.04 -0.55 0.05 -0.44 0.71 0.00 0.00 177.93 177.74 2wdr h ASP 15 N -0.92 -0.19 -0.43 3.26 5.19 -1.45 0.44 116.42 122.33 2wdr h ASP 15 Ca -0.08 0.15 0.05 0.00 -0.62 0.00 0.00 57.03 56.53 2wdr h ASP 15 Cb 0.73 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 40.44 2wdr h ASP 15 CO 0.10 -0.09 0.16 0.15 -3.12 0.00 0.00 179.24 176.45 2wdr h PHE 16 N 0.16 0.29 -0.01 4.55 3.57 -0.93 -0.97 116.94 123.59 2wdr h PHE 16 Ca 0.34 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2wdr h PHE 16 Cb 0.55 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 2wdr h PHE 16 CO -0.33 0.12 -0.02 0.82 -2.23 0.00 0.00 178.31 176.67 2wdr h ILE 17 N 0.33 1.40 -0.48 1.41 2.04 -0.83 -3.04 117.51 118.34 2wdr h ILE 17 Ca 0.20 -1.21 0.08 0.00 1.00 0.00 0.00 64.86 64.93 2wdr h ILE 17 Cb 0.17 2.19 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 2wdr h ILE 17 CO -0.19 0.32 0.10 -0.07 0.00 0.00 0.00 178.15 178.31 2wdr h LEU 18 N -0.46 0.02 -0.43 1.44 3.38 -0.65 0.11 115.31 118.73 2wdr h LEU 18 Ca 0.00 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2wdr h LEU 18 Cb 0.53 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 2wdr h LEU 18 CO 0.00 0.04 0.16 0.58 0.09 0.00 0.00 178.44 179.32 2wdr h VAL 19 N 0.24 0.89 0.00 1.22 2.07 -1.25 -1.31 116.25 118.10 2wdr h VAL 19 Ca 0.24 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.53 2wdr h VAL 19 Cb 0.31 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2wdr h VAL 19 CO -0.30 0.06 -0.51 0.03 0.02 0.00 0.00 177.57 176.87 2wdr h ARG 20 N 0.34 0.00 0.09 1.57 3.08 -1.28 -1.87 114.38 116.30 2wdr h ARG 20 Ca 0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2wdr h ARG 20 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2wdr h ARG 20 CO -0.19 0.51 -0.04 0.00 -1.07 0.00 0.00 179.97 179.18 2wdr h ALA 21 N 1.49 -0.12 0.00 0.04 0.00 -0.37 -2.75 119.26 117.55 2wdr h ALA 21 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2wdr h ALA 21 Cb 1.09 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wdr h ALA 21 CO 0.07 -0.36 -0.06 1.79 0.00 0.00 0.00 179.25 180.68 2wdr h THR 22 N -0.54 1.00 -0.73 0.00 1.35 -1.22 -1.30 112.91 111.47 2wdr h THR 22 Ca -0.01 -0.22 -0.04 0.00 -0.55 0.00 0.00 66.41 65.58 2wdr h THR 22 Cb 0.45 1.12 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 2wdr h THR 22 CO 0.02 0.06 0.30 0.00 -0.25 0.00 0.00 175.52 175.65 2wdr h ALA 23 N 1.94 0.95 -0.46 6.62 0.00 -1.24 -0.17 119.26 126.90 2wdr h ALA 23 Ca -0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2wdr h ALA 23 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wdr h ALA 23 CO 0.01 0.57 -0.10 0.82 0.00 0.00 0.00 179.25 180.55 2wdr h ILE 24 N 1.05 1.27 0.36 0.00 2.04 -0.95 0.01 117.51 121.29 2wdr h ILE 24 Ca 0.24 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 2wdr h ILE 24 Cb 0.20 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2wdr h ILE 24 CO -0.02 0.42 -0.17 0.58 0.00 0.00 0.00 178.15 178.95 2wdr h VAL 25 N 0.72 0.65 0.00 1.67 2.07 -1.27 -2.18 116.25 117.90 2wdr h VAL 25 Ca 0.12 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2wdr h VAL 25 Cb 0.64 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2wdr h VAL 25 CO 0.04 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.43 2wdr h LEU 26 N -0.49 0.00 -0.74 2.57 3.38 -0.93 -0.65 115.31 118.45 2wdr h LEU 26 Ca -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2wdr h LEU 26 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2wdr h LEU 26 CO 0.08 0.13 -0.43 0.74 0.09 0.00 0.00 178.44 179.05 2wdr h THR 27 N 0.00 1.31 -0.33 0.22 2.02 -0.78 -1.07 112.91 114.28 2wdr h THR 27 Ca -0.00 -1.61 -0.16 0.00 0.77 0.00 0.00 66.41 65.41 2wdr h THR 27 Cb 0.24 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2wdr h THR 27 CO 0.02 0.50 -0.41 -0.07 0.37 0.00 0.00 175.52 175.93 2wdr h LEU 28 N 0.36 0.92 -0.54 2.58 3.38 -0.60 -2.25 115.31 119.16 2wdr h LEU 28 Ca 0.03 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2wdr h LEU 28 Cb 0.91 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2wdr h LEU 28 CO 0.08 1.23 0.36 0.22 0.09 0.00 0.00 178.44 180.41 2wdr h TYR 29 N 0.64 0.68 -0.66 1.13 3.20 -0.96 -1.66 116.97 119.34 2wdr h TYR 29 Ca 0.04 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 2wdr h TYR 29 Cb 1.00 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 2wdr h TYR 29 CO 0.07 0.43 0.16 0.82 -1.64 0.00 0.00 178.16 178.01 2wdr h ILE 30 N 0.74 1.26 -0.46 1.81 2.04 -1.16 0.51 117.51 122.24 2wdr h ILE 30 Ca 0.20 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2wdr h ILE 30 Cb -0.08 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2wdr h ILE 30 CO -0.04 0.35 0.30 0.40 0.00 0.00 0.00 178.15 179.16 2wdr h ILE 31 N 0.97 1.12 -0.61 -0.67 2.04 -1.22 0.17 117.51 119.32 2wdr h ILE 31 Ca 0.21 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2wdr h ILE 31 Cb 0.36 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2wdr h ILE 31 CO 0.00 0.11 0.09 0.22 0.00 0.00 0.00 178.15 178.57 2wdr h TYR 32 N 0.62 1.05 -0.06 1.37 3.20 -0.82 0.20 116.97 122.53 2wdr h TYR 32 Ca 0.17 -0.14 -0.24 0.00 3.14 0.00 0.00 58.73 61.66 2wdr h TYR 32 Cb -0.07 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 37.92 2wdr h TYR 32 CO -0.04 0.89 -0.92 0.52 -1.64 0.00 0.00 178.16 176.97 2wdr h MET 33 N 0.93 0.66 -0.05 1.82 2.86 -0.61 -2.41 114.93 118.12 2wdr h MET 33 Ca 0.19 -0.64 -0.10 0.00 -2.06 0.00 0.00 59.70 57.09 2wdr h MET 33 Cb 0.42 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2wdr h MET 33 CO 0.01 1.24 -0.44 0.28 1.06 0.00 0.00 176.91 179.06 2wdr h VAL 34 N 0.41 1.32 0.00 -2.22 2.07 -0.60 -2.67 116.25 114.56 2wdr h VAL 34 Ca -0.09 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 65.89 2wdr h VAL 34 Cb 1.55 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 2wdr h VAL 34 CO 0.18 0.46 -0.16 1.23 0.02 0.00 0.00 177.57 179.30 2wdr h GLY 35 N 1.31 -0.21 0.67 2.17 0.00 -0.42 -0.41 103.07 106.18 2wdr h GLY 35 Ca 0.01 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 2wdr h GLY 35 CO 0.06 -0.15 -0.33 -2.75 0.00 0.00 0.00 176.54 173.37 2wdr h PHE 36 N -0.26 -0.88 -0.44 5.60 3.57 -1.28 -3.00 116.94 120.24 2wdr h PHE 36 Ca 0.05 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.62 2wdr h PHE 36 Cb 0.33 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 2wdr h PHE 36 CO -0.21 -0.47 0.10 0.74 -2.23 0.00 0.00 178.31 176.24 2wdr h PHE 37 N -0.70 0.17 0.00 0.41 0.04 -1.39 -2.01 116.94 113.46 2wdr h PHE 37 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wdr h PHE 37 Cb 0.63 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.77 2wdr h PHE 37 CO -0.18 0.02 0.00 0.00 -0.60 0.00 0.00 178.31 177.55 2wdr h ALA 38 N 1.33 1.00 -2.03 2.45 0.00 -0.99 -3.32 119.26 117.69 2wdr h ALA 38 Ca 0.22 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.57 2wdr h ALA 38 Cb 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.67 2wdr h ALA 38 CO -0.27 0.00 -1.08 0.25 0.00 0.00 0.00 179.25 178.15 2wdr n THR 39 N -2.56 -0.78 0.00 0.00 -2.24 -0.76 -4.86 114.28 103.08 2wdr n THR 39 Ca -0.00 -3.87 0.00 0.00 -2.27 0.00 0.00 64.05 57.91 2wdr n THR 39 Cb 0.14 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 2wdr n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wdr n SER 40 N 1.66 0.00 0.00 3.42 3.41 -1.20 -4.87 113.62 116.05 2wdr n SER 40 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2wdr n SER 40 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2wdr n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdr n GLY 41 N 0.10 2.81 3.52 5.00 0.00 -1.26 -4.69 105.19 110.67 2wdr n GLY 41 Ca 0.00 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2wdr n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdr n GLU 42 N 13.16 0.44 -1.67 1.61 -0.58 -1.26 -4.84 120.64 127.50 2wdr n GLU 42 Ca 0.00 -0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.28 2wdr n GLU 42 Cb 0.00 -2.36 -0.01 0.00 -0.57 0.00 0.00 31.44 28.50 2wdr n GLU 42 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wdr n LEU 43 N 12.81 7.36 -4.79 -4.62 4.77 -1.26 -4.91 117.00 126.36 2wdr n LEU 43 Ca 0.54 -4.24 -0.33 0.00 -0.03 0.00 0.00 56.01 51.94 2wdr n LEU 43 Cb 0.26 -1.62 0.02 0.00 -2.33 0.00 0.00 43.42 39.76 2wdr n LEU 43 CO 0.84 1.39 0.73 0.42 -1.33 0.00 0.00 177.39 179.44 2wdr s THR 44 N 2.68 3.53 0.23 -5.08 -4.23 -1.26 -4.87 115.64 106.64 2wdr s THR 44 Ca 0.52 0.75 0.26 0.00 -1.18 0.00 0.00 61.69 62.04 2wdr s THR 44 Cb 0.15 -3.27 0.26 0.00 1.34 0.00 0.00 72.50 70.98 2wdr s THR 44 CO -0.08 -0.41 1.77 0.22 -0.54 0.00 0.00 174.62 175.58 2wdr h TYR 45 N 0.38 0.00 0.08 3.99 3.20 -2.00 -2.07 116.97 120.55 2wdr h TYR 45 Ca -0.47 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.04 2wdr h TYR 45 Cb 1.23 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 2wdr h TYR 45 CO 0.56 0.00 -2.02 -1.91 -1.64 0.00 0.00 178.16 173.15 2wdr n GLU 46 N -2.51 0.72 0.18 1.82 2.13 -1.26 -2.41 120.64 119.30 2wdr n GLU 46 Ca -0.02 0.24 0.07 0.00 0.66 0.00 0.00 57.16 58.11 2wdr n GLU 46 Cb 0.19 -1.69 0.16 0.00 0.27 0.00 0.00 31.44 30.37 2wdr n GLU 46 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2wdr h VAL 47 N 0.05 0.57 0.10 6.31 -1.51 -1.80 -1.59 116.25 118.38 2wdr h VAL 47 Ca -0.42 -1.67 -0.01 0.00 -1.23 0.00 0.00 66.70 63.38 2wdr h VAL 47 Cb 2.02 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 33.36 2wdr h VAL 47 CO 0.06 0.31 -0.05 -0.25 -1.23 0.00 0.00 177.57 176.41 2wdr h TRP 48 N 0.00 -0.13 0.00 5.19 2.91 -1.51 -2.89 115.95 119.52 2wdr h TRP 48 Ca -0.00 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.95 2wdr h TRP 48 Cb 1.15 0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 2wdr h TRP 48 CO 0.00 0.37 -0.32 0.97 -1.03 0.00 0.00 178.44 178.44 2wdr h ILE 49 N -0.77 1.10 -0.29 2.65 2.10 -1.52 -2.67 117.51 118.11 2wdr h ILE 49 Ca -0.01 -1.14 -0.04 0.00 1.08 0.00 0.00 64.86 64.75 2wdr h ILE 49 Cb 0.56 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 37.92 2wdr h ILE 49 CO 0.02 0.31 0.03 1.23 -1.08 0.00 0.00 178.15 178.66 2wdr h GLY 50 N 1.15 0.53 0.60 8.18 0.00 -1.35 -1.47 103.07 110.70 2wdr h GLY 50 Ca -0.00 -0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.02 2wdr h GLY 50 CO 0.04 0.34 0.27 -2.75 0.00 0.00 0.00 176.54 174.44 2wdr h PHE 51 N 0.29 0.49 -0.01 5.60 3.57 -1.31 -2.58 116.94 123.00 2wdr h PHE 51 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2wdr h PHE 51 Cb 0.38 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2wdr h PHE 51 CO 0.03 0.20 0.00 1.19 -2.23 0.00 0.00 178.31 177.50 2wdr n PHE 52 N -4.90 0.00 0.04 0.41 3.72 -1.02 -2.90 117.46 112.81 2wdr n PHE 52 Ca 0.07 -0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.46 2wdr n PHE 52 Cb 0.19 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.66 2wdr n PHE 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdr h ALA 53 N 4.10 0.66 -2.34 4.37 0.00 -0.85 -3.42 119.26 121.77 2wdr h ALA 53 Ca 0.00 -0.84 -0.58 0.00 0.00 0.00 0.00 54.91 53.49 2wdr h ALA 53 Cb 0.16 0.24 0.08 0.00 0.00 0.00 0.00 17.79 18.26 2wdr h ALA 53 CO 0.00 0.94 0.68 0.45 0.00 0.00 0.00 179.25 181.31 2wdr n SER 54 N -2.96 2.91 -0.28 0.00 2.88 -1.14 -4.85 113.62 110.18 2wdr n SER 54 Ca -0.08 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2wdr n SER 54 Cb 0.84 -1.44 0.13 0.00 -0.75 0.00 0.00 64.21 62.99 2wdr n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdr h ALA 55 N 4.68 1.08 -0.44 -1.46 0.00 -1.91 -0.50 119.26 120.71 2wdr h ALA 55 Ca -0.45 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2wdr h ALA 55 Cb 1.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2wdr h ALA 55 CO 0.79 0.18 0.18 0.35 0.00 0.00 0.00 179.25 180.75 2wdr h PHE 56 N 0.85 0.32 -0.42 0.00 3.57 -1.94 -0.75 116.94 118.58 2wdr h PHE 56 Ca 0.35 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.75 2wdr h PHE 56 Cb 0.19 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2wdr h PHE 56 CO -0.05 0.14 -0.21 1.15 -2.23 0.00 0.00 178.31 177.11 2wdr h THR 57 N 0.37 1.28 0.13 4.41 2.02 -1.64 -0.73 112.91 118.74 2wdr h THR 57 Ca 0.20 -1.36 0.01 0.00 0.77 0.00 0.00 66.41 66.03 2wdr h THR 57 Cb 0.16 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2wdr h THR 57 CO -0.18 0.46 -0.14 0.11 0.37 0.00 0.00 175.52 176.14 2wdr h LYS 58 N 0.70 -0.30 0.07 6.66 1.57 -0.74 -1.84 116.57 122.70 2wdr h LYS 58 Ca 0.09 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2wdr h LYS 58 Cb 0.78 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2wdr h LYS 58 CO 0.06 -0.20 -0.03 0.28 -0.57 0.00 0.00 179.45 178.99 2wdr h VAL 59 N -0.31 1.14 -0.96 0.50 2.07 -1.10 -1.83 116.25 115.75 2wdr h VAL 59 Ca 0.01 -0.71 0.16 0.00 0.82 0.00 0.00 66.70 66.98 2wdr h VAL 59 Cb 0.30 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 2wdr h VAL 59 CO -0.05 0.18 0.61 0.15 0.02 0.00 0.00 177.57 178.47 2wdr h PHE 60 N -0.41 0.94 -0.12 1.57 -0.00 -1.16 0.22 116.94 117.98 2wdr h PHE 60 Ca -0.01 0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 57.92 2wdr h PHE 60 Cb 0.36 -0.29 -0.00 0.00 -0.00 0.00 0.00 35.95 36.02 2wdr h PHE 60 CO 0.03 0.30 -0.18 1.15 -0.00 0.00 0.00 178.31 179.61 2wdr h THR 61 N 0.75 1.37 -0.52 4.41 2.02 -1.11 0.29 112.91 120.12 2wdr h THR 61 Ca 0.50 -1.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 2wdr h THR 61 Cb 0.78 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 2wdr h THR 61 CO -0.27 0.41 0.15 -0.07 0.37 0.00 0.00 175.52 176.11 2wdr h LEU 62 N -0.08 0.78 -0.96 2.58 3.38 -0.65 0.42 115.31 120.77 2wdr h LEU 62 Ca 0.01 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 57.89 2wdr h LEU 62 Cb 0.75 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 2wdr h LEU 62 CO 0.04 0.79 0.58 0.25 0.09 0.00 0.00 178.44 180.20 2wdr h LEU 63 N 0.73 0.83 -0.74 1.67 5.85 -0.50 -1.05 115.31 122.09 2wdr h LEU 63 Ca 0.17 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 2wdr h LEU 63 Cb 0.30 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2wdr h LEU 63 CO -0.00 0.42 -0.37 0.00 -0.34 0.00 0.00 178.44 178.14 2wdr h ALA 64 N 1.54 0.92 -0.46 1.25 0.00 -0.03 -2.08 119.26 120.40 2wdr h ALA 64 Ca 0.49 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2wdr h ALA 64 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2wdr h ALA 64 CO -0.29 0.63 -0.20 -0.07 0.00 0.00 0.00 179.25 179.32 2wdr h LEU 65 N 0.44 0.97 -0.35 0.00 3.38 0.26 -1.84 115.31 118.17 2wdr h LEU 65 Ca 0.04 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2wdr h LEU 65 Cb 0.85 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2wdr h LEU 65 CO 0.07 1.15 0.22 -0.26 0.09 0.00 0.00 178.44 179.71 2wdr h PHE 66 N 0.79 0.41 -0.86 1.13 0.04 -1.17 -1.46 116.94 115.82 2wdr h PHE 66 Ca 0.11 0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.02 2wdr h PHE 66 Cb 0.77 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.70 2wdr h PHE 66 CO 0.05 0.25 0.47 0.77 -0.60 0.00 0.00 178.31 179.26 2wdr h SER 67 N 0.45 0.62 -0.12 2.17 0.02 -0.98 -0.68 113.55 115.02 2wdr h SER 67 Ca 0.13 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2wdr h SER 67 Cb -0.03 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2wdr h SER 67 CO -0.04 0.29 0.04 0.40 -1.14 0.00 0.00 176.83 176.38 2wdr h ILE 68 N 0.71 1.18 -0.78 3.27 2.04 -0.99 0.17 117.51 123.11 2wdr h ILE 68 Ca 0.45 -0.55 0.13 0.00 1.00 0.00 0.00 64.86 65.89 2wdr h ILE 68 Cb 0.56 1.32 -0.14 0.00 -0.74 0.00 0.00 36.82 37.83 2wdr h ILE 68 CO -0.32 0.16 -0.35 0.25 0.00 0.00 0.00 178.15 177.89 2wdr h LEU 69 N 0.01 -1.25 0.37 1.44 5.85 -0.08 0.60 115.31 122.25 2wdr h LEU 69 Ca 0.04 0.27 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 2wdr h LEU 69 Cb 0.22 0.65 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2wdr h LEU 69 CO -0.00 -0.30 -0.18 0.40 -0.34 0.00 0.00 178.44 178.03 2wdr h ILE 70 N -0.08 0.24 -0.10 4.05 2.04 -1.24 -2.59 117.51 119.84 2wdr h ILE 70 Ca 0.29 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.50 2wdr h ILE 70 Cb 0.58 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 2wdr h ILE 70 CO -0.83 0.06 -0.28 -0.74 0.00 0.00 0.00 178.15 176.36 2wdr h HIS 71 N -1.06 -0.76 -0.45 1.37 2.76 -0.36 -1.91 115.15 114.74 2wdr h HIS 71 Ca -0.05 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 2wdr h HIS 71 Cb 0.48 0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 2wdr h HIS 71 CO 0.02 -0.36 0.06 0.00 -1.30 0.00 0.00 177.93 176.35 2wdr h ALA 72 N 0.50 1.26 0.47 5.26 0.00 0.05 -1.22 119.26 125.58 2wdr h ALA 72 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2wdr h ALA 72 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wdr h ALA 72 CO -0.31 0.51 -0.23 2.35 0.00 0.00 0.00 179.25 181.57 2wdr h TRP 73 N 0.67 -0.58 -0.63 0.00 -0.00 -1.06 0.33 115.95 114.68 2wdr h TRP 73 Ca 0.15 -0.01 0.13 0.00 -0.00 0.00 0.00 58.89 59.15 2wdr h TRP 73 Cb 0.33 0.19 -0.12 0.00 -0.00 0.00 0.00 29.16 29.56 2wdr h TRP 73 CO 0.02 -0.26 -0.16 0.82 -0.00 0.00 0.00 178.44 178.85 2wdr h ILE 74 N -0.89 0.36 -0.01 2.65 2.04 -1.27 -0.99 117.51 119.40 2wdr h ILE 74 Ca -0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2wdr h ILE 74 Cb 0.58 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2wdr h ILE 74 CO 0.11 0.00 0.00 1.23 0.00 0.00 0.00 178.15 179.49 2wdr h GLY 75 N -0.01 0.02 1.81 5.37 0.00 -1.08 -2.33 103.07 106.85 2wdr h GLY 75 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 2wdr h GLY 75 CO -0.65 0.01 -0.02 -0.33 0.00 0.00 0.00 176.54 175.55 2wdr h MET 76 N -0.16 0.25 -0.36 4.80 2.86 -0.70 -2.43 114.93 119.18 2wdr h MET 76 Ca 0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2wdr h MET 76 Cb 0.18 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2wdr h MET 76 CO -0.00 0.29 0.16 2.35 1.06 0.00 0.00 176.91 180.77 2wdr h TRP 77 N 0.24 0.52 -0.29 -0.22 7.01 -0.81 -1.29 115.95 121.12 2wdr h TRP 77 Ca 0.06 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.08 2wdr h TRP 77 Cb 0.20 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 2wdr h TRP 77 CO 0.00 0.46 0.02 1.96 -2.79 0.00 0.00 178.44 178.09 2wdr h GLN 78 N 0.44 0.11 -0.01 2.65 4.20 -0.96 -1.72 115.11 119.81 2wdr h GLN 78 Ca 0.12 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.85 2wdr h GLN 78 Cb 0.14 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2wdr h GLN 78 CO -0.01 0.07 -0.12 0.28 -0.67 0.00 0.00 178.83 178.37 2wdr h VAL 79 N 0.11 0.69 -0.98 -0.54 2.07 -1.15 -2.66 116.25 113.78 2wdr h VAL 79 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 2wdr h VAL 79 Cb 0.18 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2wdr h VAL 79 CO -0.22 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 177.94 2wdr h LEU 80 N -0.21 0.99 -0.07 2.57 3.38 -0.99 -1.54 115.31 119.44 2wdr h LEU 80 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wdr h LEU 80 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2wdr h LEU 80 CO -0.13 0.62 -0.01 0.35 0.09 0.00 0.00 178.44 179.36 2wdr n THR 81 N -4.51 0.00 -0.06 0.22 -2.24 -0.67 -0.30 114.28 106.72 2wdr n THR 81 Ca 0.16 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.70 2wdr n THR 81 Cb 0.22 -0.42 -0.13 0.00 -2.10 0.00 0.00 70.33 67.90 2wdr n THR 81 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wdr n ASP 82 N -1.00 2.01 -0.11 3.42 8.00 -0.62 -4.81 116.55 123.44 2wdr n ASP 82 Ca 0.21 0.23 -0.15 0.00 0.71 0.00 0.00 54.79 55.79 2wdr n ASP 82 Cb 0.16 -0.82 -0.11 0.00 -0.02 0.00 0.00 41.12 40.33 2wdr n ASP 82 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wdr n TYR 83 N -3.81 0.00 -3.00 1.24 4.01 -0.97 -4.85 117.16 109.79 2wdr n TYR 83 Ca -0.37 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 56.93 2wdr n TYR 83 Cb 0.92 -0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 2wdr n TYR 83 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wdr s VAL 84 N -2.46 4.80 -0.05 -0.72 1.01 0.59 -4.92 120.40 118.65 2wdr s VAL 84 Ca -0.28 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.11 2wdr s VAL 84 Cb 0.08 -4.68 -0.12 0.00 0.00 0.00 0.00 36.38 31.65 2wdr s VAL 84 CO 0.56 -1.38 0.69 0.11 0.00 0.00 0.00 175.10 175.08 2wdr h LYS 85 N 8.86 -0.29 -6.26 2.72 1.79 -1.89 -3.44 116.57 118.06 2wdr h LYS 85 Ca 0.02 0.02 -0.68 0.00 -2.18 0.00 0.00 60.65 57.83 2wdr h LYS 85 Cb 1.04 0.07 0.03 0.00 -1.58 0.00 0.00 32.23 31.79 2wdr h LYS 85 CO 1.07 0.02 0.77 -2.30 -1.08 0.00 0.00 179.45 177.93 2wdr n PRO 86 N -4.97 1.47 -0.13 3.15 -0.02 -1.26 -4.87 135.00 128.36 2wdr n PRO 86 Ca -0.07 0.53 -0.06 0.00 -2.02 0.00 0.00 63.50 61.88 2wdr n PRO 86 Cb 0.23 -2.24 0.02 0.00 -0.02 0.00 0.00 33.50 31.48 2wdr n PRO 86 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wdr h LEU 87 N 6.48 0.33 0.21 2.45 5.85 -2.00 -2.06 115.31 126.56 2wdr h LEU 87 Ca -0.47 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 2wdr h LEU 87 Cb 1.31 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2wdr h LEU 87 CO 0.89 0.24 -0.25 0.00 -0.34 0.00 0.00 178.44 178.98 2wdr h ALA 88 N 1.21 -0.91 -1.00 1.25 0.00 -1.98 -1.45 119.26 116.37 2wdr h ALA 88 Ca 0.17 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.22 2wdr h ALA 88 Cb 0.06 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 2wdr h ALA 88 CO -0.11 -0.94 0.62 1.25 0.00 0.00 0.00 179.25 180.07 2wdr h LEU 89 N -0.47 0.65 -0.03 0.00 5.85 -1.94 -1.26 115.31 118.10 2wdr h LEU 89 Ca -0.03 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2wdr h LEU 89 Cb 0.41 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2wdr h LEU 89 CO -0.05 0.18 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.11 2wdr h ARG 90 N 0.61 0.08 -0.93 1.25 2.43 -1.05 -1.78 114.38 114.98 2wdr h ARG 90 Ca 0.59 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.82 2wdr h ARG 90 Cb 1.14 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 2wdr h ARG 90 CO -0.37 0.55 0.57 -0.07 -1.51 0.00 0.00 179.97 179.14 2wdr h LEU 91 N -0.39 0.84 -0.48 3.80 3.38 -0.87 0.90 115.31 122.48 2wdr h LEU 91 Ca 0.00 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2wdr h LEU 91 Cb 0.53 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2wdr h LEU 91 CO 0.01 0.48 0.31 0.24 0.09 0.00 0.00 178.44 179.56 2wdr h MET 92 N 0.94 0.61 -0.48 1.13 2.86 -1.08 -1.27 114.93 117.64 2wdr h MET 92 Ca 0.45 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.97 2wdr h MET 92 Cb 0.39 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2wdr h MET 92 CO -0.24 0.40 -0.02 -0.07 1.06 0.00 0.00 176.91 178.04 2wdr h LEU 93 N 0.63 0.79 -0.82 1.22 3.38 -0.33 -2.22 115.31 117.96 2wdr h LEU 93 Ca 0.18 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2wdr h LEU 93 Cb -0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2wdr h LEU 93 CO -0.05 0.87 0.14 1.56 0.09 0.00 0.00 178.44 181.05 2wdr h GLN 94 N 0.76 1.02 0.04 1.13 4.20 -0.55 -1.13 115.11 120.59 2wdr h GLN 94 Ca 0.14 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.62 2wdr h GLN 94 Cb 0.49 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2wdr h GLN 94 CO 0.02 0.92 -0.11 1.25 -0.67 0.00 0.00 178.83 180.24 2wdr h LEU 95 N 0.97 -0.31 0.35 1.46 5.85 -0.72 1.00 115.31 123.90 2wdr h LEU 95 Ca 0.20 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2wdr h LEU 95 Cb 0.37 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2wdr h LEU 95 CO 0.00 -0.17 -0.45 0.58 -0.34 0.00 0.00 178.44 178.07 2wdr h VAL 96 N -0.21 0.00 -0.97 1.05 2.07 -1.29 -0.35 116.25 116.56 2wdr h VAL 96 Ca 0.03 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.79 2wdr h VAL 96 Cb 0.24 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.89 2wdr h VAL 96 CO -0.08 0.00 0.52 0.40 0.02 0.00 0.00 177.57 178.43 2wdr h ILE 97 N -0.82 0.51 0.01 4.57 2.04 -0.99 0.35 117.51 123.18 2wdr h ILE 97 Ca -0.04 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2wdr h ILE 97 Cb 0.73 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2wdr h ILE 97 CO -0.11 0.09 -0.01 0.58 0.00 0.00 0.00 178.15 178.71 2wdr h VAL 98 N 0.51 1.50 -0.87 1.67 2.07 -0.57 -1.90 116.25 118.66 2wdr h VAL 98 Ca 0.62 -1.64 0.11 0.00 0.82 0.00 0.00 66.70 66.60 2wdr h VAL 98 Cb 1.18 2.60 -0.08 0.00 -1.52 0.00 0.00 31.29 33.48 2wdr h VAL 98 CO -0.50 0.42 0.51 0.58 0.02 0.00 0.00 177.57 178.60 2wdr h VAL 99 N -0.73 0.89 -0.18 2.57 2.07 -0.25 0.54 116.25 121.16 2wdr h VAL 99 Ca -0.00 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2wdr h VAL 99 Cb 0.70 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2wdr h VAL 99 CO 0.00 0.15 -0.09 0.00 0.02 0.00 0.00 177.57 177.65 2wdr h ALA 100 N 1.49 0.06 -0.87 1.67 0.00 -0.33 0.71 119.26 121.99 2wdr h ALA 100 Ca 0.43 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2wdr h ALA 100 Cb 0.43 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2wdr h ALA 100 CO -0.27 -0.52 0.55 -0.07 0.00 0.00 0.00 179.25 178.94 2wdr h LEU 101 N -0.07 1.02 -0.55 0.00 3.38 -0.28 -1.17 115.31 117.64 2wdr h LEU 101 Ca 0.10 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2wdr h LEU 101 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2wdr h LEU 101 CO -0.23 0.76 -0.26 0.58 0.09 0.00 0.00 178.44 179.38 2wdr h VAL 102 N 1.19 1.27 0.12 1.22 2.07 -0.62 -2.74 116.25 118.76 2wdr h VAL 102 Ca 0.32 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.43 2wdr h VAL 102 Cb -0.10 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2wdr h VAL 102 CO -0.06 0.48 -0.23 0.58 0.02 0.00 0.00 177.57 178.36 2wdr h VAL 103 N 0.76 0.50 -0.87 2.57 2.07 -0.35 -1.13 116.25 119.79 2wdr h VAL 103 Ca 0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.78 2wdr h VAL 103 Cb 0.82 0.50 -0.16 0.00 -1.52 0.00 0.00 31.29 30.93 2wdr h VAL 103 CO 0.07 0.00 -0.25 -1.22 0.02 0.00 0.00 177.57 176.19 2wdr n TYR 104 N -5.35 0.24 -0.05 1.57 4.02 -0.49 0.10 117.16 117.21 2wdr n TYR 104 Ca -0.07 1.07 -0.16 0.00 -0.01 0.00 0.00 57.90 58.73 2wdr n TYR 104 Cb 0.26 -0.96 -0.06 0.00 -0.02 0.00 0.00 39.34 38.56 2wdr n TYR 104 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2wdr h VAL 105 N 0.00 1.29 -0.19 -0.72 2.07 -1.14 -1.85 116.25 115.71 2wdr h VAL 105 Ca 0.39 -1.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 2wdr h VAL 105 Cb 0.61 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2wdr h VAL 105 CO -0.89 0.58 -0.11 0.40 0.02 0.00 0.00 177.57 177.57 2wdr h ILE 106 N 0.49 1.31 -0.05 4.57 2.04 0.06 -1.90 117.51 124.03 2wdr h ILE 106 Ca -0.02 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 2wdr h ILE 106 Cb 1.24 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 2wdr h ILE 106 CO 0.13 0.36 -0.10 0.22 0.00 0.00 0.00 178.15 178.76 2wdr h TYR 107 N 0.10 0.08 -0.39 1.37 3.20 0.66 -0.93 116.97 121.06 2wdr h TYR 107 Ca 0.04 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 2wdr h TYR 107 Cb 0.61 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2wdr h TYR 107 CO 0.07 0.18 -0.39 0.78 -1.64 0.00 0.00 178.16 177.16 2wdr h GLY 108 N 0.45 1.03 2.00 1.82 0.00 -1.19 -1.27 103.07 105.91 2wdr h GLY 108 Ca 0.02 -1.06 -0.00 0.00 0.00 0.00 0.00 47.33 46.29 2wdr h GLY 108 CO 0.01 0.95 -0.01 0.74 0.00 0.00 0.00 176.54 178.23 2wdr h PHE 109 N 0.77 0.00 0.17 5.60 -1.00 -0.38 -1.38 116.94 120.71 2wdr h PHE 109 Ca 0.06 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.57 2wdr h PHE 109 Cb 0.98 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.56 2wdr h PHE 109 CO 0.06 0.01 -1.29 0.28 -1.61 0.00 0.00 178.31 175.76 2wdr h VAL 110 N 0.00 1.22 0.23 -0.55 2.07 -1.00 -3.06 116.25 115.16 2wdr h VAL 110 Ca -0.00 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 64.98 2wdr h VAL 110 Cb 0.03 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2wdr h VAL 110 CO 0.00 0.75 -0.11 0.58 0.02 0.00 0.00 177.57 178.82 2wdr h VAL 111 N -0.17 0.84 0.16 2.57 2.07 -0.99 -3.21 116.25 117.51 2wdr h VAL 111 Ca -0.25 -0.43 -0.29 0.00 0.82 0.00 0.00 66.70 66.55 2wdr h VAL 111 Cb 1.86 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2wdr h VAL 111 CO 0.15 0.09 -1.34 -0.37 0.02 0.00 0.00 177.57 176.12 2wdr h VAL 112 N -0.53 1.40 -0.52 2.57 -1.51 -1.44 -3.22 116.25 113.00 2wdr h VAL 112 Ca -0.03 -2.94 0.11 0.00 -1.23 0.00 0.00 66.70 62.61 2wdr h VAL 112 Cb 0.39 2.94 -0.03 0.00 -2.13 0.00 0.00 31.29 32.47 2wdr h VAL 112 CO 0.05 0.87 0.36 -0.50 -1.23 0.00 0.00 177.57 177.11 2wdr h TRP 113 N 0.09 0.24 -1.25 5.19 -0.00 -1.67 -2.51 115.95 116.04 2wdr h TRP 113 Ca -0.18 0.01 -0.60 0.00 -0.00 0.00 0.00 58.89 58.11 2wdr h TRP 113 Cb 2.03 -0.08 -0.23 0.00 -0.00 0.00 0.00 29.16 30.88 2wdr h TRP 113 CO 0.08 0.11 0.74 0.41 -0.00 0.00 0.00 178.44 179.78 2wdr n GLY 114 N -1.56 5.07 0.00 1.49 0.00 -1.21 -5.10 105.19 103.88 2wdr n GLY 114 Ca 0.09 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2wdr n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70