#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 2.54 -0.04 3.49 0.74 -1.26 -0.72 119.66 124.40 1bw3 s GLN 2 Ca 0.00 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.66 1bw3 s GLN 2 Cb 0.00 -2.40 0.01 0.00 1.10 0.00 0.00 33.01 31.72 1bw3 s GLN 2 CO 0.00 -0.28 -0.09 0.00 -0.55 0.00 0.00 175.29 174.37 1bw3 s ALA 3 N 1.36 0.96 0.30 1.58 0.00 -0.19 -5.00 121.76 120.78 1bw3 s ALA 3 Ca 0.03 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.75 1bw3 s ALA 3 Cb -0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 1bw3 s ALA 3 CO -0.11 0.11 -0.05 -0.80 0.00 0.00 0.00 175.76 174.91 1bw3 s ASN 4 N 0.48 2.89 -1.27 0.00 0.01 -1.26 -0.72 114.94 115.06 1bw3 s ASN 4 Ca -0.08 -1.22 -0.03 0.00 -0.71 0.00 0.00 52.86 50.81 1bw3 s ASN 4 Cb -0.12 -0.19 0.01 0.00 0.41 0.00 0.00 41.25 41.35 1bw3 s ASN 4 CO 0.01 -0.36 1.02 -0.67 -1.51 0.00 0.00 177.10 175.59 1bw3 n ASP 5 N -0.64 -3.23 -4.56 -1.22 2.03 -1.19 -4.98 116.55 102.75 1bw3 n ASP 5 Ca -0.05 -0.63 -0.29 0.00 0.52 0.00 0.00 54.79 54.34 1bw3 n ASP 5 Cb 0.64 -4.94 -0.10 0.00 -0.72 0.00 0.00 41.12 36.00 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1bw3 s VAL 6 N -3.38 3.27 -0.56 5.18 1.01 -0.91 -4.95 120.40 120.06 1bw3 s VAL 6 Ca 0.19 -1.34 -0.28 0.00 0.00 0.00 0.00 61.98 60.55 1bw3 s VAL 6 Cb -0.08 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1bw3 s VAL 6 CO 0.74 0.09 1.15 -0.13 0.00 0.00 0.00 175.10 176.95 1bw3 s ARG 7 N -2.26 3.52 -0.72 2.72 0.52 -1.26 -2.56 118.95 118.91 1bw3 s ARG 7 Ca 0.21 0.23 -0.19 0.00 -0.52 0.00 0.00 55.73 55.46 1bw3 s ARG 7 Cb -0.11 -4.00 0.12 0.00 0.52 0.00 0.00 34.95 31.48 1bw3 s ARG 7 CO 0.13 -1.62 0.86 0.00 0.02 0.00 0.00 175.30 174.70 1bw3 s ALA 8 N 4.76 3.45 0.32 2.13 0.00 -0.14 -4.93 121.76 127.35 1bw3 s ALA 8 Ca 0.42 -2.48 0.02 0.00 0.00 0.00 0.00 51.96 49.93 1bw3 s ALA 8 Cb -0.08 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 1bw3 s ALA 8 CO 0.26 -2.57 0.49 -0.08 0.00 0.00 0.00 175.76 173.86 1bw3 s THR 9 N 2.52 4.98 0.09 0.00 -1.32 -1.26 -2.97 115.64 117.67 1bw3 s THR 9 Ca 0.19 -0.68 0.06 0.00 -1.21 0.00 0.00 61.69 60.06 1bw3 s THR 9 Cb -0.16 -3.79 -0.03 0.00 -1.51 0.00 0.00 72.50 67.01 1bw3 s THR 9 CO 0.00 -0.43 -0.17 -0.72 -2.21 0.00 0.00 174.62 171.10 1bw3 s TYR 10 N -2.22 1.43 -0.13 9.09 -0.85 -1.26 -3.95 117.35 119.47 1bw3 s TYR 10 Ca 0.39 -0.45 -0.29 0.00 -0.52 0.00 0.00 57.07 56.20 1bw3 s TYR 10 Cb -0.09 -0.79 0.07 0.00 0.38 0.00 0.00 41.96 41.53 1bw3 s TYR 10 CO 0.34 0.12 0.69 -3.38 -1.52 0.00 0.00 175.55 171.79 1bw3 s HIS 11 N -1.29 -0.70 0.02 -3.49 -3.43 -1.26 -4.91 115.29 100.22 1bw3 s HIS 11 Ca 0.02 1.41 -0.01 0.00 -0.80 0.00 0.00 55.06 55.68 1bw3 s HIS 11 Cb -0.10 0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 31.40 1bw3 s HIS 11 CO 0.03 -0.53 -0.01 1.52 -2.00 0.00 0.00 174.74 173.75 1bw3 s TYR 12 N -0.62 0.22 0.15 0.38 -0.85 -1.26 -4.64 117.35 110.72 1bw3 s TYR 12 Ca -0.07 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 1bw3 s TYR 12 Cb -0.02 -0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.16 1bw3 s TYR 12 CO 0.07 -0.19 0.00 2.48 -1.52 0.00 0.00 175.55 176.39 1bw3 n TYR 13 N 1.69 -0.74 -3.11 -3.49 4.11 -1.26 -5.01 117.16 109.35 1bw3 n TYR 13 Ca -0.23 0.13 -0.19 0.00 -0.00 0.00 0.00 57.90 57.61 1bw3 n TYR 13 Cb 0.55 0.18 -0.05 0.00 -0.00 0.00 0.00 39.34 40.03 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1bw3 n ARG 14 N -3.45 0.53 0.00 -3.48 1.74 -1.26 -5.07 116.66 105.67 1bw3 n ARG 14 Ca 0.00 -2.76 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 1bw3 n ARG 14 Cb 0.03 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 2.13 0.78 0.30 5.56 -0.04 -1.26 -1.92 135.00 140.55 1bw3 n PRO 15 Ca 0.21 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 1bw3 n PRO 15 Cb 0.54 0.00 0.36 0.00 -0.04 0.00 0.00 33.50 34.36 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 -1.99 1.61 -0.61 0.55 0.00 -1.91 -0.53 119.26 116.39 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 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1bw3 h ALA 16 CO 0.00 -0.61 -0.36 0.37 0.00 0.00 0.00 179.25 178.64 1bw3 h GLN 17 N 0.00 -0.17 -1.17 0.00 -0.00 -1.98 0.46 115.11 112.25 1bw3 h GLN 17 Ca 0.00 0.01 -0.65 0.00 -0.00 0.00 0.00 58.65 58.01 1bw3 h GLN 17 Cb 1.29 0.04 -0.33 0.00 0.00 0.00 0.00 27.48 28.47 1bw3 h GLN 17 CO 0.00 -0.11 0.32 -1.71 0.00 0.00 0.00 178.83 177.33 1bw3 n ASN 18 N -5.43 6.68 -4.08 -0.69 4.05 -0.95 -4.87 115.26 109.97 1bw3 n ASN 18 Ca 0.04 -3.78 -0.32 0.00 0.45 0.00 0.00 54.58 50.96 1bw3 n ASN 18 Cb 0.36 -0.78 -0.01 0.00 1.23 0.00 0.00 39.78 40.57 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bw3 n ASN 19 N -0.75 -2.91 -1.23 1.20 2.85 0.16 -4.16 115.26 110.42 1bw3 n ASN 19 Ca 0.54 -0.95 0.00 0.00 -0.11 0.00 0.00 54.58 54.06 1bw3 n ASN 19 Cb 0.66 -3.11 0.00 0.00 1.24 0.00 0.00 39.78 38.57 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 -4.45 0.00 0.00 1.20 7.02 -0.25 -4.83 117.44 116.13 1bw3 n TRP 20 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1bw3 n TRP 20 Cb 0.55 -1.23 0.00 0.00 -2.42 0.00 0.00 31.31 28.20 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 0.00 -0.27 -0.99 -0.08 -0.81 -3.12 116.55 111.28 1bw3 n ASP 21 Ca 0.00 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.49 1bw3 n ASP 21 Cb 0.00 0.00 0.33 0.00 2.34 0.00 0.00 41.12 43.79 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bw3 n LEU 22 N -2.05 0.03 -0.83 -2.67 4.77 -1.26 0.64 117.00 115.63 1bw3 n LEU 22 Ca 0.00 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 1bw3 n LEU 22 Cb 0.00 -0.24 0.24 0.00 -2.33 0.00 0.00 43.42 41.09 1bw3 n LEU 22 CO 0.00 -0.50 0.71 0.61 -1.33 0.00 0.00 177.39 176.87 1bw3 n GLY 23 N -1.33 0.77 3.48 -0.72 0.00 -1.18 -4.45 105.19 101.76 1bw3 n GLY 23 Ca 0.18 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 24 N -1.94 3.16 0.28 4.61 0.00 0.21 -4.94 121.76 123.13 1bw3 s ALA 24 Ca 0.32 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1bw3 s ALA 24 Cb 0.20 -3.76 0.65 0.00 0.00 0.00 0.00 23.12 20.21 1bw3 s ALA 24 CO 0.31 -2.56 1.69 -1.35 0.00 0.00 0.00 175.76 173.86 1bw3 h PRO 25 N 9.42 0.36 0.00 0.00 0.10 -1.89 0.22 132.00 140.21 1bw3 h PRO 25 Ca -0.28 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.80 1bw3 h PRO 25 Cb 1.07 -0.08 0.00 0.00 0.10 0.00 0.00 31.00 32.09 1bw3 h PRO 25 CO 1.13 0.24 0.00 0.00 0.10 0.00 0.00 178.00 179.47 1bw3 n ALA 26 N -2.55 1.54 0.09 -0.75 0.00 -1.26 -3.97 120.51 113.61 1bw3 n ALA 26 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1bw3 n ALA 26 Cb 0.59 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1bw3 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw3 n VAL 27 N -1.21 0.75 -2.33 0.00 0.31 0.66 -5.10 118.33 111.41 1bw3 n VAL 27 Ca 0.03 0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.48 1bw3 n VAL 27 Cb 0.04 -1.17 0.01 0.00 -0.91 0.00 0.00 33.84 31.82 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 -3.49 -3.55 -4.37 4.52 3.41 -0.45 -4.88 113.62 104.81 1bw3 n SER 28 Ca 0.00 0.05 -0.34 0.00 -0.26 0.00 0.00 58.87 58.32 1bw3 n SER 28 Cb 0.01 -0.95 0.10 0.00 -0.26 0.00 0.00 64.21 63.11 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 n ALA 29 N 0.36 -2.82 -0.11 7.33 0.00 -1.26 -4.72 120.51 119.29 1bw3 n ALA 29 Ca -0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 53.44 52.81 1bw3 n ALA 29 Cb 0.36 -1.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 1bw3 n ALA 29 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw3 n TYR 30 N -3.30 -0.11 -0.69 0.00 4.01 -1.23 0.31 117.16 116.13 1bw3 n TYR 30 Ca 0.06 0.33 0.08 0.00 -0.16 0.00 0.00 57.90 58.21 1bw3 n TYR 30 Cb 0.53 -0.42 0.37 0.00 -0.31 0.00 0.00 39.34 39.52 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw3 h ALA 32 N 4.04 -1.11 -0.46 0.00 0.00 -0.41 0.45 119.26 121.77 1bw3 h ALA 32 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.82 1bw3 h ALA 32 Cb 1.69 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 1bw3 h ALA 32 CO 0.36 -1.03 0.93 1.15 0.00 0.00 0.00 179.25 180.65 1bw3 h THR 33 N -1.16 0.05 0.00 0.00 2.02 -1.78 0.55 112.91 112.59 1bw3 h THR 33 Ca -0.10 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1bw3 h THR 33 Cb 0.78 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1bw3 h THR 33 CO 0.17 0.00 -1.24 0.79 0.37 0.00 0.00 175.52 175.61 1bw3 n TRP 34 N -3.00 0.00 0.09 3.16 8.01 -1.15 -4.83 117.44 119.72 1bw3 n TRP 34 Ca 0.10 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.13 1bw3 n TRP 34 Cb 1.08 -0.16 -0.14 0.00 -2.01 0.00 0.00 31.31 30.08 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 -0.05 0.40 -0.84 -0.99 5.19 0.23 -3.30 116.42 117.07 1bw3 h ASP 35 Ca -0.10 -0.46 0.24 0.00 -0.62 0.00 0.00 57.03 56.10 1bw3 h ASP 35 Cb 1.13 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.48 1bw3 h ASP 35 CO -0.03 1.36 0.88 0.00 -3.12 0.00 0.00 179.24 178.33 1bw3 h ALA 36 N 0.58 2.67 -0.86 3.45 0.00 -0.99 0.47 119.26 124.58 1bw3 h ALA 36 Ca -0.15 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1bw3 h ALA 36 Cb 1.98 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.78 1bw3 h ALA 36 CO 0.19 -1.31 0.57 0.66 0.00 0.00 0.00 179.25 179.36 1bw3 h SER 37 N 0.00 0.97 -3.80 0.00 4.64 -1.77 -3.43 113.55 110.15 1bw3 h SER 37 Ca 0.40 -0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 61.16 1bw3 h SER 37 Cb 2.15 -0.23 0.10 0.00 -0.31 0.00 0.00 62.40 64.11 1bw3 h SER 37 CO -0.00 0.69 0.80 0.29 -0.87 0.00 0.00 176.83 177.74 1bw3 n LYS 38 N -4.51 2.70 -1.53 4.77 5.02 0.17 -4.90 118.16 119.88 1bw3 n LYS 38 Ca 0.10 0.95 -0.40 0.00 -2.02 0.00 0.00 58.31 56.94 1bw3 n LYS 38 Cb 0.04 -2.69 0.02 0.00 -0.02 0.00 0.00 35.03 32.38 1bw3 n LYS 38 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bw3 n PRO 39 N 0.79 0.83 -0.33 1.97 -0.04 -1.26 -4.77 135.00 132.19 1bw3 n PRO 39 Ca 0.03 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1bw3 n PRO 39 Cb 0.38 -1.82 0.27 0.00 -0.04 0.00 0.00 33.50 32.30 1bw3 n PRO 39 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1bw3 h LEU 40 N 0.81 0.70 0.00 1.53 5.85 -1.90 -3.09 115.31 119.21 1bw3 h LEU 40 Ca -0.44 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1bw3 h LEU 40 Cb 1.38 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1bw3 h LEU 40 CO 0.52 0.28 0.00 -1.20 -0.34 0.00 0.00 178.44 177.70 1bw3 n SER 41 N -4.79 0.00 -0.00 1.25 7.64 -1.26 -0.01 113.62 116.44 1bw3 n SER 41 Ca 0.20 0.25 -0.10 0.00 1.01 0.00 0.00 58.87 60.23 1bw3 n SER 41 Cb 0.49 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.55 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1bw3 h TRP 42 N 0.00 -0.03 -1.02 1.43 7.01 -1.90 0.26 115.95 121.70 1bw3 h TRP 42 Ca 0.00 0.01 0.26 0.00 2.11 0.00 0.00 58.89 61.27 1bw3 h TRP 42 Cb 0.00 0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.01 1bw3 h TRP 42 CO -0.17 -0.03 0.67 0.00 -2.79 0.00 0.00 178.44 176.13 1bw3 h ARG 43 N 0.02 0.31 0.07 2.65 3.08 -0.42 -2.34 114.38 117.76 1bw3 h ARG 43 Ca 0.05 -0.02 -0.37 0.00 0.07 0.00 0.00 59.98 59.71 1bw3 h ARG 43 Cb 0.07 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1bw3 h ARG 43 CO -0.10 0.21 -2.18 -1.13 -1.07 0.00 0.00 179.97 175.70 1bw3 n SER 44 N -4.52 2.07 -0.23 7.04 3.41 0.83 -4.57 113.62 117.64 1bw3 n SER 44 Ca 0.24 0.08 0.03 0.00 -0.26 0.00 0.00 58.87 58.95 1bw3 n SER 44 Cb 0.89 -0.69 0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1bw3 n SER 44 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1bw3 h LYS 45 N 0.02 0.07 0.00 4.33 3.64 0.05 -3.44 116.57 121.24 1bw3 h LYS 45 Ca -0.49 -0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.47 1bw3 h LYS 45 Cb 1.97 -0.02 0.16 0.00 -0.41 0.00 0.00 32.23 33.94 1bw3 h LYS 45 CO 0.01 0.05 0.39 0.66 -2.27 0.00 0.00 179.45 178.29 1bw3 n TYR 46 N -5.36 -3.95 -0.85 1.91 4.01 -1.08 -5.03 117.16 106.80 1bw3 n TYR 46 Ca 0.11 -1.15 -0.20 0.00 -0.16 0.00 0.00 57.90 56.50 1bw3 n TYR 46 Cb 0.41 -0.97 0.14 0.00 -0.31 0.00 0.00 39.34 38.61 1bw3 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bw3 n GLY 47 N -3.27 4.11 2.18 2.72 0.00 -1.22 -4.88 105.19 104.83 1bw3 n GLY 47 Ca 0.16 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 1bw3 n GLY 47 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bw3 n TRP 48 N -0.84 -1.06 -3.98 1.61 7.02 -1.26 -4.63 117.44 114.30 1bw3 n TRP 48 Ca 0.49 0.45 -0.32 0.00 -1.02 0.00 0.00 57.50 57.10 1bw3 n TRP 48 Cb 1.43 -0.80 -0.05 0.00 -2.42 0.00 0.00 31.31 29.47 1bw3 n TRP 48 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1bw3 s THR 49 N -0.68 5.11 0.30 -0.99 -4.23 0.29 -2.53 115.64 112.90 1bw3 s THR 49 Ca 0.15 -0.36 0.11 0.00 -1.18 0.00 0.00 61.69 60.41 1bw3 s THR 49 Cb -0.02 -3.41 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 1bw3 s THR 49 CO 0.35 0.27 -0.12 0.00 -0.54 0.00 0.00 174.62 174.57 1bw3 s ALA 50 N -1.34 2.91 0.30 3.99 0.00 0.55 -0.57 121.76 127.61 1bw3 s ALA 50 Ca 0.28 -1.89 0.08 0.00 0.00 0.00 0.00 51.96 50.43 1bw3 s ALA 50 Cb -0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1bw3 s ALA 50 CO 0.20 0.22 0.20 -0.59 0.00 0.00 0.00 175.76 175.78 1bw3 s PHE 51 N -2.50 2.91 -0.08 0.00 -0.71 0.65 -4.69 117.98 113.57 1bw3 s PHE 51 Ca 0.31 -0.24 -0.01 0.00 -1.04 0.00 0.00 56.93 55.95 1bw3 s PHE 51 Cb -0.03 -1.56 -0.05 0.00 -1.21 0.00 0.00 43.02 40.17 1bw3 s PHE 51 CO 0.17 0.38 -0.09 0.00 -1.34 0.00 0.00 175.22 174.34 1bw3 n GLY 53 N 2.87 2.73 0.00 0.00 0.00 -1.26 -4.87 105.19 104.66 1bw3 n GLY 53 Ca -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1bw3 n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bw3 n PRO 54 N 0.00 0.00 -3.53 1.61 -0.02 -1.26 -3.50 135.00 128.30 1bw3 n PRO 54 Ca 0.00 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 1bw3 n PRO 54 Cb 0.00 -1.11 -0.05 0.00 -0.02 0.00 0.00 33.50 32.32 1bw3 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw3 s ALA 55 N -3.17 4.09 0.00 3.55 0.00 -1.26 -4.68 121.76 120.29 1bw3 s ALA 55 Ca 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 51.96 48.43 1bw3 s ALA 55 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1bw3 s ALA 55 CO 0.00 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 173.99 1bw3 n GLY 56 N 3.18 -1.63 3.55 0.00 0.00 -1.23 -4.45 105.19 104.61 1bw3 n GLY 56 Ca 0.16 0.60 -0.38 0.00 0.00 0.00 0.00 46.02 46.40 1bw3 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw3 s PRO 57 N 0.00 2.45 -0.01 1.61 0.04 -1.26 -4.66 135.00 133.17 1bw3 s PRO 57 Ca 0.00 1.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.97 1bw3 s PRO 57 Cb 0.00 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1bw3 s PRO 57 CO 0.00 -2.91 0.15 0.50 0.04 0.00 0.00 177.00 174.78 1bw3 s ARG 58 N 7.48 0.47 0.00 4.56 3.52 -1.26 -4.96 118.95 128.76 1bw3 s ARG 58 Ca 0.81 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 1bw3 s ARG 58 Cb -0.15 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 1bw3 s ARG 58 CO 0.24 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 1bw3 n GLY 59 N 1.60 2.73 0.10 8.12 0.00 -1.26 -5.02 105.19 111.46 1bw3 n GLY 59 Ca -0.22 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 1bw3 n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bw3 h GLN 60 N 0.00 0.00 0.00 1.61 4.20 -2.01 -3.38 115.11 115.53 1bw3 h GLN 60 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bw3 h GLN 60 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1bw3 h GLN 60 CO 0.00 1.00 0.80 0.00 -0.67 0.00 0.00 178.83 179.96 1bw3 n ALA 61 N -3.39 0.00 -0.44 3.87 0.00 -1.26 0.09 120.51 119.38 1bw3 n ALA 61 Ca -0.32 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.20 1bw3 n ALA 61 Cb 0.68 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.37 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 -1.29 2.54 -0.30 0.00 0.00 -1.26 -4.53 120.51 115.67 1bw3 n ALA 62 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 53.44 51.86 1bw3 n ALA 62 Cb 0.80 -0.69 0.07 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.03 0.48 3.55 0.00 0.00 -1.26 -4.85 105.19 103.08 1bw3 n GLY 64 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 1.84 0.49 1.61 1.02 -1.19 -4.92 119.74 118.59 1bw3 s LYS 65 Ca 0.00 -2.04 0.02 0.00 0.02 0.00 0.00 55.97 53.97 1bw3 s LYS 65 Cb 0.00 -1.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.97 1bw3 s LYS 65 CO 0.00 -0.12 0.01 0.00 -0.92 0.00 0.00 175.35 174.32 1bw3 s LEU 67 N -3.84 2.08 -0.14 0.00 0.20 0.77 -0.25 118.68 117.50 1bw3 s LEU 67 Ca 0.12 -0.28 -0.02 0.00 0.69 0.00 0.00 54.13 54.63 1bw3 s LEU 67 Cb 0.03 -0.51 -0.03 0.00 -0.43 0.00 0.00 46.19 45.25 1bw3 s LEU 67 CO 0.06 0.08 -0.06 -0.60 -0.29 0.00 0.00 176.35 175.54 1bw3 s ARG 68 N -0.56 3.50 -0.15 1.98 3.52 0.05 0.02 118.95 127.30 1bw3 s ARG 68 Ca 0.02 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.09 1bw3 s ARG 68 Cb -0.05 -2.82 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 1bw3 s ARG 68 CO 0.00 0.30 -0.21 0.08 -0.81 0.00 0.00 175.30 174.66 1bw3 s VAL 69 N 0.20 2.13 0.10 7.11 1.01 0.28 -1.72 120.40 129.51 1bw3 s VAL 69 Ca -0.03 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.10 1bw3 s VAL 69 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1bw3 s VAL 69 CO 0.03 0.54 -0.24 -0.89 0.00 0.00 0.00 175.10 174.54 1bw3 s THR 70 N 0.97 2.01 -0.72 3.92 2.01 -0.98 -0.37 115.64 122.48 1bw3 s THR 70 Ca -0.03 -1.59 -0.05 0.00 0.31 0.00 0.00 61.69 60.32 1bw3 s THR 70 Cb -0.15 -1.78 0.18 0.00 0.01 0.00 0.00 72.50 70.77 1bw3 s THR 70 CO -0.05 0.08 0.57 0.21 -0.69 0.00 0.00 174.62 174.74 1bw3 s ASN 71 N -1.84 5.70 0.47 3.53 2.47 0.11 -2.62 114.94 122.76 1bw3 s ASN 71 Ca 0.11 -2.96 0.33 0.00 0.42 0.00 0.00 52.86 50.75 1bw3 s ASN 71 Cb -0.10 -1.95 1.45 0.00 -1.45 0.00 0.00 41.25 39.21 1bw3 s ASN 71 CO 0.05 -0.38 1.67 -0.65 -3.72 0.00 0.00 177.10 174.06 1bw3 h PRO 72 N 7.03 0.10 -0.20 0.43 0.10 -1.86 0.55 132.00 138.16 1bw3 h PRO 72 Ca 0.04 -0.01 -0.16 0.00 0.10 0.00 0.00 66.00 65.97 1bw3 h PRO 72 Cb 0.95 -0.02 -0.01 0.00 0.10 0.00 0.00 31.00 32.02 1bw3 h PRO 72 CO 0.74 0.07 -0.54 0.00 0.10 0.00 0.00 178.00 178.37 1bw3 h ALA 73 N 1.47 0.69 0.00 -0.75 0.00 -1.94 -3.36 119.26 115.36 1bw3 h ALA 73 Ca 0.77 -0.51 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 1bw3 h ALA 73 Cb 2.57 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 20.24 1bw3 h ALA 73 CO -0.26 0.69 -1.90 0.25 0.00 0.00 0.00 179.25 178.02 1bw3 n THR 74 N -3.97 0.81 -0.21 0.00 -2.24 -0.01 -4.97 114.28 103.69 1bw3 n THR 74 Ca -0.03 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1bw3 n THR 74 Cb 0.60 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 2.09 0.64 3.81 3.38 0.00 -0.10 -5.05 105.19 109.96 1bw3 n GLY 75 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.46 2.71 0.11 4.61 0.00 -1.25 -4.75 121.76 120.74 1bw3 s ALA 76 Ca 0.00 0.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.98 1bw3 s ALA 76 Cb 0.00 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.98 1bw3 s ALA 76 CO 0.00 -0.98 0.61 1.14 0.00 0.00 0.00 175.76 176.53 1bw3 s GLN 77 N -4.47 1.22 0.13 0.00 -2.07 -1.26 0.04 119.66 113.25 1bw3 s GLN 77 Ca 0.61 -0.33 -0.10 0.00 -1.82 0.00 0.00 55.36 53.73 1bw3 s GLN 77 Cb -0.15 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 1bw3 s GLN 77 CO 0.44 -0.51 0.27 -1.50 -1.32 0.00 0.00 175.29 172.67 1bw3 s ILE 78 N -3.21 0.10 0.05 3.63 2.07 0.50 -4.99 121.20 119.36 1bw3 s ILE 78 Ca -0.02 -1.19 0.08 0.00 -1.41 0.00 0.00 60.65 58.11 1bw3 s ILE 78 Cb -0.01 -1.55 -0.03 0.00 0.13 0.00 0.00 42.46 41.00 1bw3 s ILE 78 CO -0.08 -0.44 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.42 1bw3 s THR 79 N -3.90 2.67 0.39 4.00 2.01 -1.26 -0.56 115.64 118.99 1bw3 s THR 79 Ca 0.10 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 60.87 1bw3 s THR 79 Cb 0.04 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1bw3 s THR 79 CO -0.06 0.31 0.09 0.00 -0.69 0.00 0.00 174.62 174.27 1bw3 s ALA 80 N -0.93 2.86 -0.14 7.40 0.00 0.10 -3.42 121.76 127.63 1bw3 s ALA 80 Ca 0.14 -1.42 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 1bw3 s ALA 80 Cb -0.10 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1bw3 s ALA 80 CO 0.05 -0.30 0.14 0.50 0.00 0.00 0.00 175.76 176.16 1bw3 s ARG 81 N -3.79 3.64 -0.47 0.00 3.52 -1.26 -0.16 118.95 120.43 1bw3 s ARG 81 Ca 0.26 -0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 55.50 1bw3 s ARG 81 Cb 0.04 -3.25 0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1bw3 s ARG 81 CO 0.14 0.65 0.75 0.42 -0.81 0.00 0.00 175.30 176.45 1bw3 s ILE 82 N -0.67 4.69 0.00 4.11 1.01 -0.75 0.10 121.20 129.69 1bw3 s ILE 82 Ca 0.13 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.99 1bw3 s ILE 82 Cb -0.12 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1bw3 s ILE 82 CO 0.03 -0.76 0.00 0.55 0.00 0.00 0.00 174.94 174.76 1bw3 n VAL 83 N 6.01 0.00 -3.28 2.92 3.14 0.27 -4.63 118.33 122.75 1bw3 n VAL 83 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1bw3 n VAL 83 Cb 0.48 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 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 -2.37 1.36 -4.37 6.55 2.03 -1.25 -2.50 116.55 116.00 1bw3 n ASP 84 Ca 0.00 -0.60 -0.29 0.00 0.52 0.00 0.00 54.79 54.42 1bw3 n ASP 84 Cb 0.27 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.53 1bw3 n ASP 84 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bw3 s GLN 85 N -0.55 1.55 0.00 -0.67 0.74 -1.26 -0.25 119.66 119.22 1bw3 s GLN 85 Ca 0.00 -1.25 -0.02 0.00 0.05 0.00 0.00 55.36 54.14 1bw3 s GLN 85 Cb 0.00 -1.92 -0.09 0.00 1.10 0.00 0.00 33.01 32.11 1bw3 s GLN 85 CO 0.00 0.47 2.52 0.00 -0.55 0.00 0.00 175.29 177.73 1bw3 n ALA 87 N 1.82 -0.01 -2.24 0.00 0.00 -1.26 -0.20 120.51 118.62 1bw3 n ALA 87 Ca 0.14 0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 1bw3 n ALA 87 Cb 0.63 -0.01 0.05 0.00 0.00 0.00 0.00 19.45 20.13 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 -4.04 3.25 -1.52 0.00 0.23 -1.26 -5.02 115.26 106.91 1bw3 n ASN 88 Ca 0.00 -3.14 -0.00 0.00 -0.53 0.00 0.00 54.58 50.91 1bw3 n ASN 88 Cb 0.01 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 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 -0.64 -0.58 3.18 4.83 0.00 0.73 -4.96 105.19 107.75 1bw3 n GLY 89 Ca 0.27 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1bw3 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bw3 s GLY 90 N -1.34 -0.38 -0.01 -0.02 0.00 -1.26 -4.04 107.32 100.27 1bw3 s GLY 90 Ca 0.00 2.73 -0.21 0.00 0.00 0.00 0.00 44.72 47.24 1bw3 s GLY 90 CO 0.01 3.67 0.93 1.41 0.00 0.00 0.00 173.10 179.13 1bw3 h LEU 91 N 7.91 -0.51-10.09 0.66 3.38 -1.88 -3.39 115.31 111.39 1bw3 h LEU 91 Ca -0.15 -0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.26 1bw3 h LEU 91 Cb 1.16 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1bw3 h LEU 91 CO -0.03 -0.09 -0.43 1.51 0.09 0.00 0.00 178.44 179.50 1bw3 s ASP 92 N -4.89 5.34 -0.00 -0.43 1.47 -1.05 -0.33 116.67 116.78 1bw3 s ASP 92 Ca -0.12 -0.49 0.01 0.00 1.18 0.00 0.00 52.55 53.13 1bw3 s ASP 92 Cb 0.01 -0.95 -0.01 0.00 -0.34 0.00 0.00 42.92 41.64 1bw3 s ASP 92 CO 0.39 -0.40 0.02 0.00 0.68 0.00 0.00 175.17 175.86 1bw3 n LEU 93 N -1.43 0.02 0.00 2.11 -0.00 -1.26 -4.59 117.00 111.86 1bw3 n LEU 93 Ca -0.01 -0.48 0.00 0.00 -0.00 0.00 0.00 56.01 55.52 1bw3 n LEU 93 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1bw3 n LEU 93 CO 0.42 0.01 0.00 -0.67 -0.00 0.00 0.00 177.39 177.15 1bw3 n ASP 94 N -1.03 0.00 -3.58 1.45 -0.08 -1.26 -4.39 116.55 107.66 1bw3 n ASP 94 Ca 0.00 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.88 1bw3 n ASP 94 Cb 0.01 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.45 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1bw3 n TRP 95 N 0.00 2.72 -3.52 -0.67 -0.00 -1.26 -4.61 117.44 110.11 1bw3 n TRP 95 Ca 0.00 -2.61 -0.16 0.00 -0.00 0.00 0.00 57.50 54.72 1bw3 n TRP 95 Cb 0.00 -2.25 -0.03 0.00 -0.00 0.00 0.00 31.31 29.03 1bw3 n TRP 95 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1bw3 n ASP 96 N 5.82 -0.36 -0.44 5.87 9.92 -1.26 -4.70 116.55 131.39 1bw3 n ASP 96 Ca 0.55 -0.58 0.41 0.00 -0.53 0.00 0.00 54.79 54.65 1bw3 n ASP 96 Cb 0.34 -0.71 0.73 0.00 -0.64 0.00 0.00 41.12 40.85 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1bw3 h THR 97 N 0.03 0.17 0.00 -3.53 1.35 -1.92 -1.91 112.91 107.11 1bw3 h THR 97 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1bw3 h THR 97 Cb 0.62 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 1bw3 h THR 97 CO 0.29 0.00 -0.29 0.58 -0.25 0.00 0.00 175.52 175.84 1bw3 h VAL 98 N 0.00 0.00 -0.69 6.82 2.07 -1.84 -3.40 116.25 119.21 1bw3 h VAL 98 Ca 0.69 -0.62 0.14 0.00 0.82 0.00 0.00 66.70 67.72 1bw3 h VAL 98 Cb 2.94 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 32.58 1bw3 h VAL 98 CO -0.01 0.00 -0.18 0.15 0.02 0.00 0.00 177.57 177.55 1bw3 h PHE 99 N -0.62 -0.40 0.00 1.57 3.57 -1.74 -0.68 116.94 118.63 1bw3 h PHE 99 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1bw3 h PHE 99 Cb 0.29 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1bw3 h PHE 99 CO -0.13 -0.31 0.00 0.25 -2.23 0.00 0.00 178.31 175.90 1bw3 n THR 100 N -5.46 0.00 -0.05 4.41 -2.24 -0.79 -3.77 114.28 106.38 1bw3 n THR 100 Ca 0.09 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1bw3 n THR 100 Cb 0.36 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.85 0.33 0.00 -0.78 4.76 -0.27 -4.61 118.16 116.74 1bw3 n LYS 101 Ca 0.09 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1bw3 n LYS 101 Cb 0.04 -1.06 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 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 -3.86 0.00 -1.93 -0.18 -5.35 -1.16 -3.75 119.36 103.13 1bw3 n ILE 102 Ca -0.09 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.03 1bw3 n ILE 102 Cb 0.32 -0.71 0.04 0.00 -1.74 0.00 0.00 39.64 37.55 1bw3 n ILE 102 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1bw3 n ASP 103 N -0.59 7.03 -0.36 7.28 9.92 -1.26 -4.76 116.55 133.82 1bw3 n ASP 103 Ca 0.00 -3.81 0.00 0.00 -0.53 0.00 0.00 54.79 50.45 1bw3 n ASP 103 Cb 0.00 -0.94 0.00 0.00 -0.64 0.00 0.00 41.12 39.54 1bw3 n ASP 103 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1bw3 n THR 104 N -0.59 0.00 -1.95 -3.53 -2.24 -1.25 -1.14 114.28 103.59 1bw3 n THR 104 Ca 0.53 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 1bw3 n THR 104 Cb 0.38 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1bw3 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw3 n ASN 105 N 0.15 0.00 0.00 3.42 2.04 -1.26 -5.08 115.26 114.52 1bw3 n ASN 105 Ca 0.00 -1.04 0.00 0.00 -0.44 0.00 0.00 54.58 53.10 1bw3 n ASN 105 Cb 0.00 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.24 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw3 n GLY 106 N 0.00 0.00 0.00 4.83 0.00 -0.29 -5.07 105.19 104.66 1bw3 n GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bw3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw3 n ILE 107 N 0.00 0.00 0.28 -0.61 -0.00 -1.24 -4.67 119.36 113.12 1bw3 n ILE 107 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.81 1bw3 n ILE 107 Cb 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 39.64 39.99 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 0.00 0.79 7.39 0.00 -1.90 -2.64 103.07 106.71 1bw3 h GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bw3 h GLY 108 CO 0.00 0.00 0.41 2.98 0.00 0.00 0.00 176.54 179.93 1bw3 n TYR 109 N -2.44 0.21 1.01 5.60 9.36 -1.26 0.14 117.16 129.77 1bw3 n TYR 109 Ca -0.01 0.11 0.11 0.00 3.32 0.00 0.00 57.90 61.43 1bw3 n TYR 109 Cb 0.63 -0.37 0.03 0.00 -0.63 0.00 0.00 39.34 39.00 1bw3 n TYR 109 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1bw3 n GLN 110 N -1.73 1.50 -0.11 2.98 6.02 -1.00 -4.62 117.38 120.42 1bw3 n GLN 110 Ca -0.00 -1.23 -0.19 0.00 -0.01 0.00 0.00 57.00 55.56 1bw3 n GLN 110 Cb 0.42 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.14 1bw3 n GLN 110 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bw3 n GLN 111 N 0.33 0.56 0.00 -1.09 1.13 0.12 -5.08 117.38 113.34 1bw3 n GLN 111 Ca 0.11 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 1bw3 n GLN 111 Cb 0.50 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bw3 n GLY 112 N 1.37 1.81 3.21 1.08 0.00 -1.23 -5.09 105.19 106.35 1bw3 n GLY 112 Ca -0.34 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.37 0.58 1.61 0.00 -1.26 -4.11 115.29 110.75 1bw3 s HIS 113 Ca 0.00 1.57 -0.12 0.00 -3.00 0.00 0.00 55.06 53.51 1bw3 s HIS 113 Cb 0.00 0.52 -0.05 0.00 -4.00 0.00 0.00 32.58 29.06 1bw3 s HIS 113 CO 0.00 -0.74 1.00 -1.17 -1.00 0.00 0.00 174.74 172.83 1bw3 s LEU 114 N 2.86 3.35 -0.33 5.38 2.96 -1.16 -4.59 118.68 127.15 1bw3 s LEU 114 Ca 0.14 1.41 -0.15 0.00 -0.22 0.00 0.00 54.13 55.31 1bw3 s LEU 114 Cb -0.14 -4.43 -0.02 0.00 0.50 0.00 0.00 46.19 42.11 1bw3 s LEU 114 CO -0.19 -0.78 0.34 0.21 -1.32 0.00 0.00 176.35 174.61 1bw3 s ASN 115 N -3.92 6.16 0.37 3.68 3.84 -1.26 -0.97 114.94 122.84 1bw3 s ASN 115 Ca 0.55 -0.20 0.06 0.00 0.21 0.00 0.00 52.86 53.48 1bw3 s ASN 115 Cb -0.11 -2.19 -0.03 0.00 -0.55 0.00 0.00 41.25 38.38 1bw3 s ASN 115 CO 0.48 -0.30 0.21 0.68 -2.79 0.00 0.00 177.10 175.38 1bw3 s VAL 116 N 1.98 0.25 0.01 -5.21 -7.23 -1.06 -4.67 120.40 104.47 1bw3 s VAL 116 Ca 0.11 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1bw3 s VAL 116 Cb -0.17 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1bw3 s VAL 116 CO 0.11 0.00 -0.22 0.20 -0.31 0.00 0.00 175.10 174.88 1bw3 s ASN 117 N -3.48 2.59 -0.01 4.85 0.01 -1.08 -2.14 114.94 115.68 1bw3 s ASN 117 Ca 0.33 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 52.04 1bw3 s ASN 117 Cb 0.02 -0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.43 1bw3 s ASN 117 CO 0.21 0.24 -0.04 -0.72 -1.51 0.00 0.00 177.10 175.28 1bw3 s TYR 118 N -0.62 0.49 0.01 2.20 -0.85 0.10 -2.32 117.35 116.35 1bw3 s TYR 118 Ca 0.08 -0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.56 1bw3 s TYR 118 Cb -0.09 -0.37 -0.01 0.00 0.38 0.00 0.00 41.96 41.87 1bw3 s TYR 118 CO 0.00 -0.05 -0.08 -0.65 -1.52 0.00 0.00 175.55 173.25 1bw3 s GLN 119 N 0.19 0.58 0.53 -3.49 -1.52 -0.70 -1.02 119.66 114.24 1bw3 s GLN 119 Ca -0.02 -0.42 -0.21 0.00 -1.95 0.00 0.00 55.36 52.77 1bw3 s GLN 119 Cb -0.06 -0.52 -0.05 0.00 -0.22 0.00 0.00 33.01 32.16 1bw3 s GLN 119 CO -0.00 0.13 1.20 -0.06 -0.25 0.00 0.00 175.29 176.31 1bw3 s PHE 120 N -0.51 2.58 0.11 0.91 0.40 0.10 -0.77 117.98 120.79 1bw3 s PHE 120 Ca -0.00 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.65 1bw3 s PHE 120 Cb -0.05 -3.46 0.04 0.00 0.51 0.00 0.00 43.02 40.06 1bw3 s PHE 120 CO 0.00 -1.96 0.44 0.54 0.70 0.00 0.00 175.22 174.94 1bw3 s VAL 121 N -1.57 0.06 0.01 -0.44 0.11 0.66 -4.69 120.40 114.53 1bw3 s VAL 121 Ca 0.71 -0.46 -0.19 0.00 -2.93 0.00 0.00 61.98 59.12 1bw3 s VAL 121 Cb -0.30 -1.10 -0.06 0.00 -1.53 0.00 0.00 36.38 33.40 1bw3 s VAL 121 CO 0.34 -0.25 0.54 -0.62 -3.33 0.00 0.00 175.10 171.78 1bw3 s ASP 122 N -2.60 6.94 -0.03 3.54 2.15 -1.26 0.41 116.67 125.82 1bw3 s ASP 122 Ca 0.01 1.12 -0.21 0.00 0.43 0.00 0.00 52.55 53.90 1bw3 s ASP 122 Cb 0.01 -2.34 -0.28 0.00 -0.30 0.00 0.00 42.92 40.01 1bw3 s ASP 122 CO -0.10 0.18 0.98 0.00 -0.17 0.00 0.00 175.17 176.07 1bw3 n ARG 124 N -4.17 -1.20 0.00 0.00 1.74 -1.26 -5.13 116.66 106.64 1bw3 n ARG 124 Ca -0.12 1.41 0.14 0.00 -0.77 0.00 0.00 57.85 58.51 1bw3 n ARG 124 Cb 0.76 -5.37 0.58 0.00 -1.02 0.00 0.00 32.46 27.41 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64