#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw3 s GLN 2 N 0.00 1.06 0.04 3.49 0.74 -1.26 -0.56 119.66 123.17 1bw3 s GLN 2 Ca 0.00 -0.41 -0.15 0.00 0.05 0.00 0.00 55.36 54.85 1bw3 s GLN 2 Cb 0.00 -1.00 0.03 0.00 1.10 0.00 0.00 33.01 33.14 1bw3 s GLN 2 CO 0.00 0.21 0.34 0.00 -0.55 0.00 0.00 175.29 175.30 1bw3 s ALA 3 N -0.10 -0.81 0.27 1.58 0.00 0.25 -4.88 121.76 118.07 1bw3 s ALA 3 Ca 0.01 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.13 1bw3 s ALA 3 Cb -0.07 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1bw3 s ALA 3 CO 0.00 -0.42 0.08 0.54 0.00 0.00 0.00 175.76 175.96 1bw3 s ASN 4 N -2.00 1.46 -0.49 0.00 2.20 -1.26 -0.47 114.94 114.39 1bw3 s ASN 4 Ca -0.06 -1.37 -0.07 0.00 -0.94 0.00 0.00 52.86 50.43 1bw3 s ASN 4 Cb -0.01 0.10 0.01 0.00 -2.00 0.00 0.00 41.25 39.35 1bw3 s ASN 4 CO -0.02 -0.69 0.31 0.47 -2.94 0.00 0.00 177.10 174.23 1bw3 n ASP 5 N -0.50 -2.26 -4.56 3.54 9.92 -0.98 -4.89 116.55 116.82 1bw3 n ASP 5 Ca -0.01 -0.56 -0.32 0.00 -0.53 0.00 0.00 54.79 53.37 1bw3 n ASP 5 Cb 0.66 -0.79 -0.11 0.00 -0.64 0.00 0.00 41.12 40.24 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1bw3 s VAL 6 N -3.14 3.46 -0.05 2.53 1.01 -0.25 -4.86 120.40 119.10 1bw3 s VAL 6 Ca 0.09 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1bw3 s VAL 6 Cb -0.05 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 1bw3 s VAL 6 CO 0.46 0.45 1.87 -0.13 0.00 0.00 0.00 175.10 177.76 1bw3 s ARG 7 N -1.22 3.98 -0.18 2.72 0.52 -1.26 -2.31 118.95 121.20 1bw3 s ARG 7 Ca 0.15 2.31 -0.01 0.00 -0.52 0.00 0.00 55.73 57.67 1bw3 s ARG 7 Cb -0.11 -4.13 0.05 0.00 0.52 0.00 0.00 34.95 31.28 1bw3 s ARG 7 CO 0.05 -1.11 -0.03 0.00 0.02 0.00 0.00 175.30 174.23 1bw3 s ALA 8 N 4.92 1.43 0.11 2.13 0.00 -0.87 -4.92 121.76 124.55 1bw3 s ALA 8 Ca 0.84 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 52.01 1bw3 s ALA 8 Cb -0.37 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1bw3 s ALA 8 CO 0.36 -0.93 -0.10 0.95 0.00 0.00 0.00 175.76 176.04 1bw3 s THR 9 N 1.65 3.37 -0.04 0.00 -4.23 -1.26 -2.16 115.64 112.97 1bw3 s THR 9 Ca -0.01 -1.29 0.05 0.00 -1.18 0.00 0.00 61.69 59.26 1bw3 s THR 9 Cb -0.16 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 1bw3 s THR 9 CO -0.07 0.10 -0.19 -0.72 -0.54 0.00 0.00 174.62 173.19 1bw3 s TYR 10 N -1.24 1.87 0.41 3.99 1.13 -1.26 -4.96 117.35 117.29 1bw3 s TYR 10 Ca 0.22 -0.53 0.04 0.00 -1.41 0.00 0.00 57.07 55.39 1bw3 s TYR 10 Cb -0.11 -1.25 -0.03 0.00 -1.10 0.00 0.00 41.96 39.48 1bw3 s TYR 10 CO 0.14 -0.16 0.12 -3.38 -2.51 0.00 0.00 175.55 169.75 1bw3 s HIS 11 N -0.05 1.80 -1.08 -3.49 -3.43 -1.26 -5.07 115.29 102.71 1bw3 s HIS 11 Ca -0.03 -1.24 -0.06 0.00 -0.80 0.00 0.00 55.06 52.93 1bw3 s HIS 11 Cb -0.12 -1.20 0.29 0.00 -1.43 0.00 0.00 32.58 30.12 1bw3 s HIS 11 CO 0.02 -0.24 1.22 0.66 -2.00 0.00 0.00 174.74 174.41 1bw3 n TYR 12 N -0.91 4.04 -1.00 0.38 4.01 -1.26 -4.63 117.16 117.79 1bw3 n TYR 12 Ca -0.06 -3.44 -0.08 0.00 -0.16 0.00 0.00 57.90 54.16 1bw3 n TYR 12 Cb 0.65 -1.47 0.06 0.00 -0.31 0.00 0.00 39.34 38.27 1bw3 n TYR 12 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1bw3 n TYR 13 N 2.09 -3.69 -2.69 -0.72 4.02 -1.23 -5.02 117.16 109.91 1bw3 n TYR 13 Ca 0.25 -0.29 -0.25 0.00 -0.01 0.00 0.00 57.90 57.60 1bw3 n TYR 13 Cb 0.37 -0.28 -0.01 0.00 -0.02 0.00 0.00 39.34 39.40 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1bw3 n ARG 14 N -1.99 3.01 0.00 -0.72 1.74 -1.26 -4.93 116.66 112.51 1bw3 n ARG 14 Ca 0.04 -4.45 0.00 0.00 -0.77 0.00 0.00 57.85 52.68 1bw3 n ARG 14 Cb 0.15 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1bw3 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bw3 n PRO 15 N -0.32 0.00 0.31 5.56 -0.04 -1.26 -3.36 135.00 135.89 1bw3 n PRO 15 Ca 0.33 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 1bw3 n PRO 15 Cb 0.58 -0.20 0.58 0.00 -0.04 0.00 0.00 33.50 34.43 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 h ALA 16 N -2.08 1.44 -0.81 0.55 0.00 -1.89 0.12 119.26 116.59 1bw3 h ALA 16 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1bw3 h ALA 16 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1bw3 h ALA 16 CO 0.00 -0.44 -0.39 0.94 0.00 0.00 0.00 179.25 179.35 1bw3 n GLN 17 N -2.67 -0.27 -1.00 0.00 -0.06 -1.21 0.91 117.38 113.08 1bw3 n GLN 17 Ca -0.01 1.24 -0.13 0.00 -2.00 0.00 0.00 57.00 56.10 1bw3 n GLN 17 Cb 0.50 -1.83 0.20 0.00 -4.06 0.00 0.00 30.24 25.05 1bw3 n GLN 17 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1bw3 n ASN 18 N -5.11 3.23 -1.22 1.69 5.15 -1.22 -4.83 115.26 112.95 1bw3 n ASN 18 Ca 0.05 -3.65 -0.03 0.00 -0.60 0.00 0.00 54.58 50.35 1bw3 n ASN 18 Cb 0.27 -0.73 0.01 0.00 -0.53 0.00 0.00 39.78 38.80 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw3 n ASN 19 N -1.05 -2.33 -1.19 1.20 2.85 0.26 -4.67 115.26 110.32 1bw3 n ASN 19 Ca 0.45 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1bw3 n ASN 19 Cb 1.34 -1.25 0.00 0.00 1.24 0.00 0.00 39.78 41.11 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw3 n TRP 20 N -2.15 0.00 -0.15 1.20 7.02 -0.02 -4.79 117.44 118.55 1bw3 n TRP 20 Ca -0.03 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.42 1bw3 n TRP 20 Cb 0.52 -1.78 -0.01 0.00 -2.42 0.00 0.00 31.31 27.62 1bw3 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw3 n ASP 21 N 0.00 0.93 -0.08 -0.99 2.03 0.22 -4.41 116.55 114.25 1bw3 n ASP 21 Ca 0.00 -1.86 -0.10 0.00 0.52 0.00 0.00 54.79 53.34 1bw3 n ASP 21 Cb 0.00 -0.42 -0.05 0.00 -0.72 0.00 0.00 41.12 39.92 1bw3 n ASP 21 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1bw3 h LEU 22 N 7.83 0.00 -1.14 -2.67 3.38 -1.89 -3.37 115.31 117.45 1bw3 h LEU 22 Ca 0.07 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1bw3 h LEU 22 Cb 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1bw3 h LEU 22 CO 0.80 0.99 0.60 1.23 0.09 0.00 0.00 178.44 182.15 1bw3 h GLY 23 N -1.00 1.38 -6.92 0.83 0.00 -1.88 -2.44 103.07 93.04 1bw3 h GLY 23 Ca -0.12 -0.40 -0.70 0.00 0.00 0.00 0.00 47.33 46.12 1bw3 h GLY 23 CO -0.07 0.23 1.41 0.00 0.00 0.00 0.00 176.54 178.11 1bw3 n ALA 24 N -2.39 0.23 -0.31 3.60 0.00 -1.26 -4.59 120.51 115.79 1bw3 n ALA 24 Ca 0.15 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 1bw3 n ALA 24 Cb 0.28 -2.10 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 1bw3 n ALA 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bw3 n PRO 25 N 7.65 -0.32 -0.04 0.00 -0.04 -1.26 -0.71 135.00 140.28 1bw3 n PRO 25 Ca 0.57 1.12 0.22 0.00 -0.04 0.00 0.00 63.50 65.37 1bw3 n PRO 25 Cb -0.02 -1.65 0.46 0.00 -0.04 0.00 0.00 33.50 32.25 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 h ALA 26 N 0.39 2.56 0.00 0.55 0.00 -1.93 -2.99 119.26 117.84 1bw3 h ALA 26 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1bw3 h ALA 26 Cb 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1bw3 h ALA 26 CO -0.70 -1.33 -0.87 0.28 0.00 0.00 0.00 179.25 176.63 1bw3 n VAL 27 N -3.21 1.38 -2.48 0.00 0.31 0.11 -5.08 118.33 109.37 1bw3 n VAL 27 Ca 0.15 0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 64.51 1bw3 n VAL 27 Cb 1.20 -2.09 0.01 0.00 -0.91 0.00 0.00 33.84 32.05 1bw3 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw3 n SER 28 N -4.15 -4.01 -4.88 4.52 3.41 -0.92 -4.94 113.62 102.64 1bw3 n SER 28 Ca -0.13 0.08 -0.31 0.00 -0.26 0.00 0.00 58.87 58.25 1bw3 n SER 28 Cb 0.42 -1.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.27 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 s ALA 29 N -0.81 3.52 0.05 7.33 0.00 -1.21 -5.01 121.76 125.63 1bw3 s ALA 29 Ca 0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.67 1bw3 s ALA 29 Cb -0.01 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1bw3 s ALA 29 CO 0.28 0.32 0.87 0.98 0.00 0.00 0.00 175.76 178.22 1bw3 n TYR 30 N -0.59 -0.15 1.55 0.00 9.36 -1.26 -0.39 117.16 125.68 1bw3 n TYR 30 Ca 0.01 0.42 0.03 0.00 3.32 0.00 0.00 57.90 61.67 1bw3 n TYR 30 Cb 0.53 -0.45 0.12 0.00 -0.63 0.00 0.00 39.34 38.91 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bw3 n ALA 32 N -0.10 0.98 0.38 0.00 0.00 0.48 0.40 120.51 122.64 1bw3 n ALA 32 Ca 0.06 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1bw3 n ALA 32 Cb 0.13 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.46 1bw3 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bw3 h THR 33 N 0.00 0.00 0.00 0.00 2.02 -1.78 -3.29 112.91 109.86 1bw3 h THR 33 Ca 0.00 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 1bw3 h THR 33 Cb 0.08 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1bw3 h THR 33 CO 0.00 0.00 -1.11 0.79 0.37 0.00 0.00 175.52 175.57 1bw3 n TRP 34 N -2.36 0.00 0.07 3.16 8.01 0.36 -4.82 117.44 121.86 1bw3 n TRP 34 Ca 0.02 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.11 1bw3 n TRP 34 Cb 0.48 -0.07 -0.13 0.00 -2.01 0.00 0.00 31.31 29.59 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1bw3 h ASP 35 N -0.04 0.12 -1.40 -0.99 3.32 -0.29 -3.29 116.42 113.85 1bw3 h ASP 35 Ca -0.05 -0.13 0.41 0.00 0.02 0.00 0.00 57.03 57.28 1bw3 h ASP 35 Cb 1.05 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 1bw3 h ASP 35 CO -0.02 1.10 1.07 0.00 -1.72 0.00 0.00 179.24 179.67 1bw3 h ALA 36 N 0.88 3.31 0.10 3.45 0.00 -1.65 0.50 119.26 125.86 1bw3 h ALA 36 Ca -0.06 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1bw3 h ALA 36 Cb 1.84 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.74 1bw3 h ALA 36 CO 0.15 -1.79 -1.18 0.66 0.00 0.00 0.00 179.25 177.09 1bw3 h SER 37 N 0.00 0.53 -3.66 0.00 4.64 -1.85 -3.46 113.55 109.74 1bw3 h SER 37 Ca 0.66 -0.51 -0.56 0.00 -0.47 0.00 0.00 61.79 60.92 1bw3 h SER 37 Cb 2.80 -0.17 0.12 0.00 -0.31 0.00 0.00 62.40 64.84 1bw3 h SER 37 CO -0.01 1.37 0.59 0.29 -0.87 0.00 0.00 176.83 178.20 1bw3 n LYS 38 N -3.63 2.18 -0.11 4.77 4.76 0.18 -4.99 118.16 121.32 1bw3 n LYS 38 Ca -0.09 0.77 -0.03 0.00 -2.87 0.00 0.00 58.31 56.09 1bw3 n LYS 38 Cb 0.97 -2.48 0.03 0.00 -1.84 0.00 0.00 35.03 31.71 1bw3 n LYS 38 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1bw3 n PRO 39 N 0.17 -0.10 -0.08 1.97 -0.04 -1.26 -4.86 135.00 130.79 1bw3 n PRO 39 Ca 0.05 -0.15 -0.16 0.00 -0.04 0.00 0.00 63.50 63.20 1bw3 n PRO 39 Cb 0.39 -0.31 -0.11 0.00 -0.04 0.00 0.00 33.50 33.43 1bw3 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw3 h LEU 40 N 0.00 0.00 0.00 1.53 3.38 -1.98 -3.32 115.31 114.92 1bw3 h LEU 40 Ca -0.04 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1bw3 h LEU 40 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1bw3 h LEU 40 CO 0.02 1.15 0.00 -0.24 0.09 0.00 0.00 178.44 179.46 1bw3 n SER 41 N -4.55 0.00 -0.25 -0.43 2.88 -1.26 -0.05 113.62 109.96 1bw3 n SER 41 Ca -0.18 0.87 0.04 0.00 -1.33 0.00 0.00 58.87 58.28 1bw3 n SER 41 Cb 0.52 -0.37 0.15 0.00 -0.75 0.00 0.00 64.21 63.75 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1bw3 h TRP 42 N 0.00 -0.04 -0.41 0.66 7.01 -1.94 0.45 115.95 121.69 1bw3 h TRP 42 Ca 0.00 0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.07 1bw3 h TRP 42 Cb 0.00 0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 1bw3 h TRP 42 CO -0.48 -0.22 0.23 -0.09 -2.79 0.00 0.00 178.44 175.09 1bw3 h ARG 43 N 0.11 0.45 0.00 2.65 2.43 -1.58 0.22 114.38 118.66 1bw3 h ARG 43 Ca 0.39 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1bw3 h ARG 43 Cb 0.68 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1bw3 h ARG 43 CO -0.63 0.30 0.00 0.66 -1.51 0.00 0.00 179.97 178.79 1bw3 h SER 44 N 0.47 0.00 0.07 -3.80 4.64 0.77 -3.35 113.55 112.34 1bw3 h SER 44 Ca 0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1bw3 h SER 44 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1bw3 h SER 44 CO -0.09 0.00 -0.03 0.50 -0.87 0.00 0.00 176.83 176.34 1bw3 h LYS 45 N 0.00 -0.09 -3.95 4.77 3.64 0.77 -3.50 116.57 118.22 1bw3 h LYS 45 Ca 0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1bw3 h LYS 45 Cb 0.90 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.64 1bw3 h LYS 45 CO 0.00 -0.06 -0.23 0.71 -2.27 0.00 0.00 179.45 177.60 1bw3 s TYR 46 N -1.77 0.69 -0.06 1.91 2.02 0.69 -4.82 117.35 116.01 1bw3 s TYR 46 Ca -0.01 -0.99 -0.00 0.00 -0.37 0.00 0.00 57.07 55.69 1bw3 s TYR 46 Cb 0.00 -0.02 -0.00 0.00 -0.40 0.00 0.00 41.96 41.54 1bw3 s TYR 46 CO 0.04 -0.96 0.05 0.41 -1.57 0.00 0.00 175.55 173.51 1bw3 n GLY 47 N -0.41 0.65 2.69 0.71 0.00 -1.26 -4.36 105.19 103.23 1bw3 n GLY 47 Ca -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1bw3 n GLY 47 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bw3 n TRP 48 N -1.43 -2.19 -3.76 1.61 -0.00 0.50 -4.68 117.44 107.49 1bw3 n TRP 48 Ca -0.01 -2.07 -0.11 0.00 -0.00 0.00 0.00 57.50 55.31 1bw3 n TRP 48 Cb 0.51 1.41 -0.07 0.00 -0.00 0.00 0.00 31.31 33.15 1bw3 n TRP 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1bw3 s THR 49 N -0.12 0.09 -0.41 5.87 -4.23 0.41 -4.54 115.64 112.70 1bw3 s THR 49 Ca 0.23 -0.71 -0.16 0.00 -1.18 0.00 0.00 61.69 59.87 1bw3 s THR 49 Cb 0.39 -0.95 0.02 0.00 1.34 0.00 0.00 72.50 73.29 1bw3 s THR 49 CO -0.07 -0.39 0.34 0.00 -0.54 0.00 0.00 174.62 173.96 1bw3 s ALA 50 N -2.62 3.46 0.21 3.99 0.00 -1.18 -0.11 121.76 125.52 1bw3 s ALA 50 Ca -0.04 -1.65 -0.07 0.00 0.00 0.00 0.00 51.96 50.19 1bw3 s ALA 50 Cb -0.01 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 1bw3 s ALA 50 CO -0.04 -1.49 0.49 -0.59 0.00 0.00 0.00 175.76 174.13 1bw3 s PHE 51 N 1.82 3.45 -0.18 0.00 -0.71 0.14 -0.47 117.98 122.03 1bw3 s PHE 51 Ca 0.07 0.72 -0.13 0.00 -1.04 0.00 0.00 56.93 56.55 1bw3 s PHE 51 Cb -0.18 -2.14 -0.21 0.00 -1.21 0.00 0.00 43.02 39.27 1bw3 s PHE 51 CO 0.11 0.31 0.20 0.00 -1.34 0.00 0.00 175.22 174.50 1bw3 n GLY 53 N 1.71 1.47 0.34 0.00 0.00 -1.26 -4.74 105.19 102.71 1bw3 n GLY 53 Ca -0.35 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1bw3 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bw3 h PRO 54 N 0.00 0.67 -0.69 1.61 0.13 -2.01 -0.08 132.00 131.63 1bw3 h PRO 54 Ca 0.00 -0.04 -0.34 0.00 -0.87 0.00 0.00 66.00 64.75 1bw3 h PRO 54 Cb 0.00 -0.15 -0.41 0.00 0.13 0.00 0.00 31.00 30.57 1bw3 h PRO 54 CO 0.00 0.44 -1.06 0.00 -0.23 0.00 0.00 178.00 177.16 1bw3 n ALA 55 N -2.36 3.36 -2.78 -0.56 0.00 -1.26 -5.01 120.51 111.90 1bw3 n ALA 55 Ca 0.23 -3.12 -0.00 0.00 0.00 0.00 0.00 53.44 50.54 1bw3 n ALA 55 Cb 0.57 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 19.26 1bw3 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bw3 s GLY 56 N -3.60 -1.62 -0.64 0.00 0.00 -0.04 0.10 107.32 101.51 1bw3 s GLY 56 Ca 0.33 0.81 -0.22 0.00 0.00 0.00 0.00 44.72 45.64 1bw3 s GLY 56 CO -0.02 4.19 0.90 2.56 0.00 0.00 0.00 173.10 180.73 1bw3 s PRO 57 N 1.54 3.09 -0.30 2.90 0.04 -1.26 -4.57 135.00 136.45 1bw3 s PRO 57 Ca 0.19 -0.97 -0.02 0.00 0.04 0.00 0.00 61.00 60.23 1bw3 s PRO 57 Cb 0.05 -4.24 0.12 0.00 0.04 0.00 0.00 34.50 30.47 1bw3 s PRO 57 CO -0.12 -1.74 0.19 0.50 0.04 0.00 0.00 177.00 175.87 1bw3 s ARG 58 N 3.69 0.27 0.00 4.56 3.52 -1.26 -5.09 118.95 124.64 1bw3 s ARG 58 Ca 0.19 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1bw3 s ARG 58 Cb -0.19 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.20 1bw3 s ARG 58 CO 0.09 -1.04 0.00 0.41 -0.81 0.00 0.00 175.30 173.95 1bw3 n GLY 59 N 5.14 0.26 0.24 8.12 0.00 -1.26 -4.47 105.19 113.23 1bw3 n GLY 59 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1bw3 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw3 n GLN 60 N 0.00 -0.24 -0.57 1.61 6.02 -1.26 0.02 117.38 122.96 1bw3 n GLN 60 Ca 0.00 0.87 -0.08 0.00 -0.01 0.00 0.00 57.00 57.78 1bw3 n GLN 60 Cb 0.00 -1.27 0.03 0.00 1.02 0.00 0.00 30.24 30.02 1bw3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw3 n ALA 61 N -3.58 4.12 0.00 -1.58 0.00 -1.26 -3.01 120.51 115.20 1bw3 n ALA 61 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1bw3 n ALA 61 Cb 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1bw3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n ALA 62 N 0.60 1.40 0.14 0.00 0.00 0.10 -4.82 120.51 117.93 1bw3 n ALA 62 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1bw3 n ALA 62 Cb 0.63 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1bw3 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n GLY 64 N 0.63 -1.65 3.67 0.00 0.00 -1.26 -4.90 105.19 101.68 1bw3 n GLY 64 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1bw3 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw3 s LYS 65 N 0.00 2.05 0.36 1.61 1.02 0.07 -4.73 119.74 120.12 1bw3 s LYS 65 Ca 0.00 -2.17 0.08 0.00 0.02 0.00 0.00 55.97 53.90 1bw3 s LYS 65 Cb 0.00 -1.64 -0.07 0.00 -0.52 0.00 0.00 37.83 35.60 1bw3 s LYS 65 CO 0.00 -0.15 -0.05 0.00 -0.92 0.00 0.00 175.35 174.23 1bw3 s LEU 67 N -3.62 1.88 -0.17 0.00 0.20 0.08 -1.43 118.68 115.62 1bw3 s LEU 67 Ca 0.33 -0.28 -0.14 0.00 0.69 0.00 0.00 54.13 54.73 1bw3 s LEU 67 Cb 0.05 -0.79 -0.05 0.00 -0.43 0.00 0.00 46.19 44.98 1bw3 s LEU 67 CO 0.17 0.13 0.30 -0.60 -0.29 0.00 0.00 176.35 176.06 1bw3 s ARG 68 N 0.04 4.24 -0.14 1.98 3.52 0.73 0.62 118.95 129.95 1bw3 s ARG 68 Ca -0.02 0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.69 1bw3 s ARG 68 Cb -0.10 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1bw3 s ARG 68 CO 0.01 0.19 -0.18 0.08 -0.81 0.00 0.00 175.30 174.59 1bw3 s VAL 69 N 0.63 1.76 0.03 7.11 1.01 -0.37 -0.73 120.40 129.83 1bw3 s VAL 69 Ca 0.17 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1bw3 s VAL 69 Cb -0.13 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1bw3 s VAL 69 CO 0.05 0.49 -0.17 -0.89 0.00 0.00 0.00 175.10 174.57 1bw3 s THR 70 N 1.11 1.36 -0.34 3.92 2.01 -0.57 -0.03 115.64 123.11 1bw3 s THR 70 Ca -0.02 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1bw3 s THR 70 Cb -0.14 -1.19 0.08 0.00 0.01 0.00 0.00 72.50 71.26 1bw3 s THR 70 CO -0.06 0.16 0.06 0.21 -0.69 0.00 0.00 174.62 174.30 1bw3 s ASN 71 N -0.99 4.90 0.00 3.53 2.47 0.95 -2.14 114.94 123.66 1bw3 s ASN 71 Ca 0.05 -1.78 0.00 0.00 0.42 0.00 0.00 52.86 51.55 1bw3 s ASN 71 Cb -0.08 -1.70 0.00 0.00 -1.45 0.00 0.00 41.25 38.02 1bw3 s ASN 71 CO 0.01 -0.37 0.74 -2.65 -3.72 0.00 0.00 177.10 171.11 1bw3 n PRO 72 N 4.47 0.00 -0.14 0.43 -0.01 -1.26 0.10 135.00 138.59 1bw3 n PRO 72 Ca -0.05 0.59 0.03 0.00 -0.01 0.00 0.00 63.50 64.06 1bw3 n PRO 72 Cb 0.42 -1.24 0.06 0.00 -0.01 0.00 0.00 33.50 32.74 1bw3 n PRO 72 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw3 n ALA 73 N -1.73 0.11 0.03 3.55 0.00 -1.26 0.65 120.51 121.86 1bw3 n ALA 73 Ca 0.00 0.43 0.10 0.00 0.00 0.00 0.00 53.44 53.96 1bw3 n ALA 73 Cb 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.09 1bw3 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw3 n THR 74 N -4.60 0.39 -0.97 0.00 -2.24 -0.89 -4.96 114.28 101.00 1bw3 n THR 74 Ca 0.07 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1bw3 n THR 74 Cb 0.21 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1bw3 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw3 n GLY 75 N 1.26 0.35 3.90 3.38 0.00 0.21 -4.99 105.19 109.29 1bw3 n GLY 75 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1bw3 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 76 N -1.79 3.31 -0.03 4.61 0.00 -1.23 -4.81 121.76 121.81 1bw3 s ALA 76 Ca 0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 51.32 1bw3 s ALA 76 Cb 0.00 -2.72 0.04 0.00 0.00 0.00 0.00 23.12 20.44 1bw3 s ALA 76 CO 0.00 -0.50 0.47 1.14 0.00 0.00 0.00 175.76 176.87 1bw3 s GLN 77 N -4.89 0.84 0.22 0.00 1.03 -1.26 -0.03 119.66 115.57 1bw3 s GLN 77 Ca 0.50 0.00 0.00 0.00 0.04 0.00 0.00 55.36 55.91 1bw3 s GLN 77 Cb -0.10 0.38 -0.04 0.00 0.03 0.00 0.00 33.01 33.28 1bw3 s GLN 77 CO 0.47 -0.25 0.13 -1.50 -2.54 0.00 0.00 175.29 171.61 1bw3 s ILE 78 N -1.27 0.14 -0.21 3.63 1.10 0.96 -4.91 121.20 120.64 1bw3 s ILE 78 Ca -0.12 -2.00 -0.00 0.00 -0.51 0.00 0.00 60.65 58.01 1bw3 s ILE 78 Cb -0.03 -2.53 0.02 0.00 0.15 0.00 0.00 42.46 40.07 1bw3 s ILE 78 CO 0.07 0.00 -0.13 -0.89 -2.11 0.00 0.00 174.94 171.88 1bw3 s THR 79 N -4.01 2.48 0.60 4.00 2.01 -1.26 -1.24 115.64 118.22 1bw3 s THR 79 Ca 0.39 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 61.29 1bw3 s THR 79 Cb 0.07 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 1bw3 s THR 79 CO 0.13 0.37 1.02 0.00 -0.69 0.00 0.00 174.62 175.46 1bw3 s ALA 80 N 1.31 3.08 -0.29 7.40 0.00 0.20 -4.79 121.76 128.68 1bw3 s ALA 80 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 1bw3 s ALA 80 Cb -0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1bw3 s ALA 80 CO -0.08 -0.62 0.17 1.03 0.00 0.00 0.00 175.76 176.26 1bw3 s ARG 81 N -4.97 3.77 -0.17 0.00 0.52 -1.26 -0.74 118.95 116.10 1bw3 s ARG 81 Ca 0.56 -0.43 -0.23 0.00 -0.52 0.00 0.00 55.73 55.11 1bw3 s ARG 81 Cb -0.11 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 1bw3 s ARG 81 CO 0.50 -0.24 0.70 0.42 0.02 0.00 0.00 175.30 176.70 1bw3 s ILE 82 N 1.72 4.98 0.08 1.52 1.01 -0.21 0.15 121.20 130.44 1bw3 s ILE 82 Ca 0.07 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1bw3 s ILE 82 Cb -0.16 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1bw3 s ILE 82 CO 0.09 0.11 0.00 0.55 0.00 0.00 0.00 174.94 175.69 1bw3 n VAL 83 N 4.56 0.00 -3.55 2.92 3.14 -0.14 -4.02 118.33 121.24 1bw3 n VAL 83 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.19 1bw3 n VAL 83 Cb 0.50 -0.31 0.02 0.00 -1.06 0.00 0.00 33.84 32.99 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bw3 n ASP 84 N -2.71 2.23 -4.49 6.55 2.03 0.85 -4.30 116.55 116.71 1bw3 n ASP 84 Ca 0.00 -2.48 -0.24 0.00 0.52 0.00 0.00 54.79 52.59 1bw3 n ASP 84 Cb 0.00 -0.14 -0.10 0.00 -0.72 0.00 0.00 41.12 40.15 1bw3 n ASP 84 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1bw3 s GLN 85 N -3.99 1.70 0.22 -0.67 -0.21 -1.26 0.24 119.66 115.69 1bw3 s GLN 85 Ca 0.34 -1.84 0.05 0.00 0.02 0.00 0.00 55.36 53.94 1bw3 s GLN 85 Cb -0.03 -1.62 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 1bw3 s GLN 85 CO 0.22 0.20 0.26 0.00 -2.12 0.00 0.00 175.29 173.84 1bw3 n ALA 87 N -1.04 1.77 -1.73 0.00 0.00 -1.26 -4.80 120.51 113.44 1bw3 n ALA 87 Ca -0.08 -0.63 0.02 0.00 0.00 0.00 0.00 53.44 52.74 1bw3 n ALA 87 Cb 0.57 0.21 0.17 0.00 0.00 0.00 0.00 19.45 20.39 1bw3 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw3 n ASN 88 N -3.92 2.05 0.00 0.00 0.23 -1.26 -4.98 115.26 107.37 1bw3 n ASN 88 Ca -0.25 -3.72 0.00 0.00 -0.53 0.00 0.00 54.58 50.08 1bw3 n ASN 88 Cb 0.58 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 89 N -0.94 0.67 0.00 4.83 0.00 -1.26 -5.15 105.19 103.34 1bw3 n GLY 89 Ca 0.21 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1bw3 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw3 n GLY 90 N 0.00 0.58 0.00 -0.02 0.00 -1.26 -4.87 105.19 99.62 1bw3 n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bw3 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw3 n LEU 91 N 0.00 0.00 -4.11 0.99 7.94 0.38 -4.66 117.00 117.53 1bw3 n LEU 91 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.74 1bw3 n LEU 91 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 1bw3 n LEU 91 CO 0.00 0.00 -0.43 1.51 -1.11 0.00 0.00 177.39 177.36 1bw3 s ASP 92 N -0.37 1.25 -0.03 1.96 -4.77 -1.18 -3.08 116.67 110.44 1bw3 s ASP 92 Ca 0.00 -0.55 0.10 0.00 -3.30 0.00 0.00 52.55 48.80 1bw3 s ASP 92 Cb 0.00 -0.02 -0.16 0.00 -1.09 0.00 0.00 42.92 41.66 1bw3 s ASP 92 CO 0.00 -0.12 0.19 0.00 0.70 0.00 0.00 175.17 175.94 1bw3 n LEU 93 N 1.48 0.00 0.00 2.11 -0.00 -1.26 -4.60 117.00 114.73 1bw3 n LEU 93 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1bw3 n LEU 93 Cb 0.55 0.06 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1bw3 n LEU 93 CO 0.21 0.06 0.00 -0.90 -0.00 0.00 0.00 177.39 176.76 1bw3 n ASP 94 N -1.99 0.00 0.00 1.45 5.68 -1.26 -4.84 116.55 115.58 1bw3 n ASP 94 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1bw3 n ASP 94 Cb 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 1bw3 n TRP 95 N 0.00 0.00 0.51 2.11 -0.00 -1.26 -3.55 117.44 115.25 1bw3 n TRP 95 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 1bw3 n TRP 95 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 31.31 31.46 1bw3 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1bw3 n ASP 96 N 0.00 3.07 -0.10 5.87 2.03 -1.26 -4.05 116.55 122.11 1bw3 n ASP 96 Ca 0.00 -1.92 -0.19 0.00 0.52 0.00 0.00 54.79 53.21 1bw3 n ASP 96 Cb 0.00 -0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 40.17 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw3 n THR 97 N 1.26 1.51 -0.00 5.18 -2.24 -1.26 -4.64 114.28 114.09 1bw3 n THR 97 Ca 0.15 0.01 -0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1bw3 n THR 97 Cb 0.55 -2.11 -0.00 0.00 -2.10 0.00 0.00 70.33 66.67 1bw3 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bw3 h VAL 98 N -1.00 0.00 0.00 2.28 2.07 -1.96 -3.43 116.25 114.22 1bw3 h VAL 98 Ca -0.29 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1bw3 h VAL 98 Cb 1.16 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1bw3 h VAL 98 CO -0.18 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.74 1bw3 n PHE 99 N -2.30 0.00 0.63 1.57 7.35 -1.26 -2.85 117.46 120.60 1bw3 n PHE 99 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1bw3 n PHE 99 Cb 0.01 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 39.65 1bw3 n PHE 99 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1bw3 n THR 100 N -1.51 0.00 0.67 -2.13 -2.24 -1.26 -2.33 114.28 105.49 1bw3 n THR 100 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1bw3 n THR 100 Cb 0.00 -0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 67.82 1bw3 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw3 n LYS 101 N -0.45 2.27 0.00 -0.78 4.76 -1.13 -4.73 118.16 118.10 1bw3 n LYS 101 Ca 0.00 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1bw3 n LYS 101 Cb 0.01 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1bw3 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw3 n ILE 102 N -1.31 0.00 0.00 -0.18 -5.35 -0.99 -4.87 119.36 106.67 1bw3 n ILE 102 Ca 0.03 0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.78 1bw3 n ILE 102 Cb 0.22 -0.93 0.00 0.00 -1.74 0.00 0.00 39.64 37.20 1bw3 n ILE 102 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1bw3 n ASP 103 N -1.49 0.00 -1.58 7.28 2.03 -1.26 -4.68 116.55 116.84 1bw3 n ASP 103 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 1bw3 n ASP 103 Cb 0.00 0.09 -0.05 0.00 -0.72 0.00 0.00 41.12 40.44 1bw3 n ASP 103 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1bw3 n THR 104 N -1.26 0.00 0.00 5.18 5.66 -1.26 -4.92 114.28 117.69 1bw3 n THR 104 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bw3 n THR 104 Cb 0.00 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.60 1bw3 n THR 104 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1bw3 n ASN 105 N 3.25 0.00 0.08 1.09 6.94 -1.26 -4.68 115.26 120.68 1bw3 n ASN 105 Ca 0.22 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.76 1bw3 n ASN 105 Cb -0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1bw3 n ASN 105 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1bw3 h GLY 106 N 0.00 0.00 -0.74 4.83 0.00 -2.01 -3.37 103.07 101.77 1bw3 h GLY 106 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.55 1bw3 h GLY 106 CO 0.00 0.00 0.08 1.39 0.00 0.00 0.00 176.54 178.01 1bw3 n ILE 107 N -3.17 -0.31 0.04 2.60 -0.00 -1.26 -0.48 119.36 116.78 1bw3 n ILE 107 Ca -0.03 1.61 -0.09 0.00 -0.00 0.00 0.00 62.75 64.24 1bw3 n ILE 107 Cb 0.85 -2.40 -0.07 0.00 -0.00 0.00 0.00 39.64 38.02 1bw3 n ILE 107 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1bw3 h GLY 108 N 0.00 -0.22 -0.95 7.39 0.00 -1.84 -3.29 103.07 104.16 1bw3 h GLY 108 Ca 0.48 0.08 0.17 0.00 0.00 0.00 0.00 47.33 48.06 1bw3 h GLY 108 CO -0.68 -0.08 -0.33 -1.82 0.00 0.00 0.00 176.54 173.64 1bw3 h TYR 109 N -0.93 -0.85 -0.42 5.60 5.03 -0.99 0.96 116.97 125.37 1bw3 h TYR 109 Ca -0.02 0.10 0.16 0.00 2.58 0.00 0.00 58.73 61.54 1bw3 h TYR 109 Cb 0.48 0.52 -0.08 0.00 1.55 0.00 0.00 36.73 39.20 1bw3 h TYR 109 CO 0.08 -0.41 0.17 1.04 -1.32 0.00 0.00 178.16 177.72 1bw3 n GLN 110 N -5.53 -0.03 -0.09 1.82 1.13 0.11 0.60 117.38 115.39 1bw3 n GLN 110 Ca 0.12 0.59 -0.12 0.00 -1.94 0.00 0.00 57.00 55.65 1bw3 n GLN 110 Cb 0.43 -1.02 -0.09 0.00 0.11 0.00 0.00 30.24 29.67 1bw3 n GLN 110 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1bw3 n GLN 111 N -4.07 0.70 0.00 -1.09 6.02 -0.30 -5.03 117.38 113.61 1bw3 n GLN 111 Ca 0.14 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1bw3 n GLN 111 Cb 0.48 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bw3 n GLY 112 N 2.50 3.67 3.28 1.08 0.00 0.20 -5.06 105.19 110.84 1bw3 n GLY 112 Ca -0.31 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 1bw3 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw3 s HIS 113 N 0.00 1.35 0.18 1.61 0.00 -1.23 -4.36 115.29 112.84 1bw3 s HIS 113 Ca 0.00 -1.02 0.03 0.00 -3.00 0.00 0.00 55.06 51.07 1bw3 s HIS 113 Cb 0.00 -0.78 -0.05 0.00 -4.00 0.00 0.00 32.58 27.76 1bw3 s HIS 113 CO 0.00 -0.18 -0.02 -1.17 -1.00 0.00 0.00 174.74 172.36 1bw3 s LEU 114 N -3.23 2.24 -0.18 5.38 2.96 -0.92 -4.84 118.68 120.10 1bw3 s LEU 114 Ca 0.27 -1.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.05 1bw3 s LEU 114 Cb 0.06 -0.16 0.02 0.00 0.50 0.00 0.00 46.19 46.61 1bw3 s LEU 114 CO 0.07 -0.50 -0.20 0.21 -1.32 0.00 0.00 176.35 174.60 1bw3 s ASN 115 N -3.19 3.13 0.47 3.68 2.47 -1.26 -2.06 114.94 118.18 1bw3 s ASN 115 Ca 0.23 -0.65 0.05 0.00 0.42 0.00 0.00 52.86 52.91 1bw3 s ASN 115 Cb 0.05 -1.48 -0.02 0.00 -1.45 0.00 0.00 41.25 38.35 1bw3 s ASN 115 CO 0.04 0.01 0.19 0.68 -3.72 0.00 0.00 177.10 174.29 1bw3 s VAL 116 N 1.25 1.84 -0.07 -5.21 -7.23 -0.98 -4.73 120.40 105.27 1bw3 s VAL 116 Ca 0.04 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1bw3 s VAL 116 Cb -0.13 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1bw3 s VAL 116 CO -0.12 0.00 -0.15 0.20 -0.31 0.00 0.00 175.10 174.72 1bw3 s ASN 117 N -3.99 3.94 0.03 4.85 0.01 -0.91 -1.09 114.94 117.78 1bw3 s ASN 117 Ca 0.30 -0.26 -0.04 0.00 -0.71 0.00 0.00 52.86 52.15 1bw3 s ASN 117 Cb 0.02 -1.04 -0.01 0.00 0.41 0.00 0.00 41.25 40.63 1bw3 s ASN 117 CO 0.17 0.29 0.07 -0.72 -1.51 0.00 0.00 177.10 175.40 1bw3 s TYR 118 N -0.40 0.20 -0.01 2.20 -0.85 0.38 -1.51 117.35 117.37 1bw3 s TYR 118 Ca 0.04 -0.48 0.01 0.00 -0.52 0.00 0.00 57.07 56.13 1bw3 s TYR 118 Cb -0.12 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.07 1bw3 s TYR 118 CO 0.02 -0.31 -0.02 -0.65 -1.52 0.00 0.00 175.55 173.06 1bw3 s GLN 119 N -2.21 0.24 0.51 -3.49 -1.52 0.09 -0.58 119.66 112.70 1bw3 s GLN 119 Ca -0.08 -0.08 -0.23 0.00 -1.95 0.00 0.00 55.36 53.02 1bw3 s GLN 119 Cb -0.04 -0.26 -0.06 0.00 -0.22 0.00 0.00 33.01 32.43 1bw3 s GLN 119 CO -0.03 0.03 1.40 -0.06 -0.25 0.00 0.00 175.29 176.38 1bw3 s PHE 120 N 0.09 2.34 0.11 0.91 0.40 0.27 -0.19 117.98 121.91 1bw3 s PHE 120 Ca -0.01 1.32 -0.16 0.00 -0.60 0.00 0.00 56.93 57.49 1bw3 s PHE 120 Cb -0.03 -3.87 0.03 0.00 0.51 0.00 0.00 43.02 39.66 1bw3 s PHE 120 CO -0.00 -2.97 0.38 0.54 0.70 0.00 0.00 175.22 173.86 1bw3 s VAL 121 N -1.25 0.08 0.36 -0.44 0.11 -0.52 -4.68 120.40 114.06 1bw3 s VAL 121 Ca 0.67 -0.62 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 1bw3 s VAL 121 Cb -0.42 -1.15 -0.05 0.00 -1.53 0.00 0.00 36.38 33.23 1bw3 s VAL 121 CO 0.52 -0.34 0.65 -1.81 -3.33 0.00 0.00 175.10 170.79 1bw3 s ASP 122 N -2.69 6.43 -0.10 3.54 1.01 -1.26 -1.54 116.67 122.07 1bw3 s ASP 122 Ca 0.02 0.85 -0.16 0.00 0.71 0.00 0.00 52.55 53.97 1bw3 s ASP 122 Cb 0.02 -2.21 -0.28 0.00 1.01 0.00 0.00 42.92 41.47 1bw3 s ASP 122 CO -0.10 -0.32 0.58 0.00 0.21 0.00 0.00 175.17 175.54 1bw3 n ARG 124 N -3.93 -1.13 0.00 0.00 0.63 -1.26 -5.08 116.66 105.88 1bw3 n ARG 124 Ca -0.24 0.14 0.14 0.00 -0.92 0.00 0.00 57.85 56.97 1bw3 n ARG 124 Cb 0.90 -3.06 0.51 0.00 0.45 0.00 0.00 32.46 31.26 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65