#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 2.99 0.01 3.49 -0.44 -1.26 -3.99 119.66 120.46 1bw3 s GLN 2 Ca 0.00 -0.47 0.01 0.00 -2.50 0.00 0.00 55.36 52.40 1bw3 s GLN 2 Cb 0.00 -2.81 -0.01 0.00 -1.64 0.00 0.00 33.01 28.55 1bw3 s GLN 2 CO 0.00 0.67 -0.04 0.00 0.50 0.00 0.00 175.29 176.42 1bw3 s ALA 3 N -1.05 0.24 0.29 1.58 0.00 -0.63 -5.04 121.76 117.15 1bw3 s ALA 3 Ca 0.18 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.83 1bw3 s ALA 3 Cb -0.12 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 1bw3 s ALA 3 CO 0.08 -0.04 -0.11 0.54 0.00 0.00 0.00 175.76 176.24 1bw3 s ASN 4 N -0.83 3.16 -0.61 0.00 2.20 -1.26 -0.91 114.94 116.69 1bw3 s ASN 4 Ca -0.07 -1.14 -0.16 0.00 -0.94 0.00 0.00 52.86 50.56 1bw3 s ASN 4 Cb -0.06 -0.24 0.02 0.00 -2.00 0.00 0.00 41.25 38.97 1bw3 s ASN 4 CO -0.00 -0.21 0.29 0.47 -2.94 0.00 0.00 177.10 174.71 1bw3 n ASP 5 N -0.62 -1.71 -4.83 3.54 8.00 -0.62 -4.88 116.55 115.43 1bw3 n ASP 5 Ca -0.06 -0.64 -0.36 0.00 0.71 0.00 0.00 54.79 54.44 1bw3 n ASP 5 Cb 0.62 -0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw3 s VAL 6 N -4.22 5.46 -0.05 2.53 1.01 0.30 -4.70 120.40 120.73 1bw3 s VAL 6 Ca 0.22 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1bw3 s VAL 6 Cb -0.12 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 1bw3 s VAL 6 CO 0.48 0.56 1.90 0.00 0.00 0.00 0.00 175.10 178.04 1bw3 s ARG 7 N -0.58 3.97 -0.08 2.72 1.70 -1.26 -0.76 118.95 124.66 1bw3 s ARG 7 Ca 0.13 2.34 0.01 0.00 -0.47 0.00 0.00 55.73 57.75 1bw3 s ARG 7 Cb -0.12 -4.14 0.02 0.00 -0.57 0.00 0.00 34.95 30.14 1bw3 s ARG 7 CO 0.02 -1.13 -0.08 0.00 -1.08 0.00 0.00 175.30 173.03 1bw3 s ALA 8 N 5.01 1.12 0.14 7.88 0.00 0.11 -4.93 121.76 131.08 1bw3 s ALA 8 Ca 0.85 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.53 1bw3 s ALA 8 Cb -0.37 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1bw3 s ALA 8 CO 0.37 -0.11 -0.08 -0.08 0.00 0.00 0.00 175.76 175.86 1bw3 s THR 9 N 1.11 3.35 0.52 0.00 -1.32 -1.26 -0.57 115.64 117.47 1bw3 s THR 9 Ca -0.07 -1.44 -0.12 0.00 -1.21 0.00 0.00 61.69 58.85 1bw3 s THR 9 Cb -0.14 -2.62 -0.06 0.00 -1.51 0.00 0.00 72.50 68.17 1bw3 s THR 9 CO -0.01 -0.01 0.93 -0.72 -2.21 0.00 0.00 174.62 172.59 1bw3 s TYR 10 N -1.48 3.53 0.09 9.09 -0.85 -1.26 -4.17 117.35 122.30 1bw3 s TYR 10 Ca 0.24 1.22 0.03 0.00 -0.52 0.00 0.00 57.07 58.03 1bw3 s TYR 10 Cb -0.10 -2.62 -0.03 0.00 0.38 0.00 0.00 41.96 39.59 1bw3 s TYR 10 CO 0.15 -0.41 -0.09 -1.58 -1.52 0.00 0.00 175.55 172.10 1bw3 s HIS 11 N -2.78 0.98 0.00 -3.49 2.46 -1.26 -4.73 115.29 106.47 1bw3 s HIS 11 Ca 0.54 -0.66 -0.11 0.00 0.47 0.00 0.00 55.06 55.30 1bw3 s HIS 11 Cb -0.10 -0.54 0.01 0.00 -0.13 0.00 0.00 32.58 31.81 1bw3 s HIS 11 CO 0.41 -0.04 0.22 1.52 -2.47 0.00 0.00 174.74 174.38 1bw3 s TYR 12 N -2.42 -0.05 0.05 3.88 -0.85 -1.26 -4.67 117.35 112.04 1bw3 s TYR 12 Ca 0.04 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 1bw3 s TYR 12 Cb -0.03 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.32 1bw3 s TYR 12 CO -0.01 -0.35 0.00 2.48 -1.52 0.00 0.00 175.55 176.16 1bw3 n TYR 13 N 1.29 -1.95 0.02 -3.49 4.11 -1.26 -5.05 117.16 110.83 1bw3 n TYR 13 Ca -0.22 0.15 -0.00 0.00 -0.00 0.00 0.00 57.90 57.83 1bw3 n TYR 13 Cb 0.56 0.80 -0.00 0.00 -0.00 0.00 0.00 39.34 40.70 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 -2.62 0.01 0.00 -3.48 3.00 -1.26 -5.11 116.66 107.20 1bw3 n ARG 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1bw3 n ARG 14 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 32.46 31.94 1bw3 n ARG 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1bw3 n PRO 15 N -3.22 0.00 0.00 5.56 -0.04 -1.26 -4.01 135.00 132.03 1bw3 n PRO 15 Ca -0.01 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1bw3 n PRO 15 Cb 0.30 -0.66 0.58 0.00 -0.04 0.00 0.00 33.50 33.69 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 16 N -2.26 2.19 0.01 0.55 0.00 -1.26 -0.78 120.51 118.96 1bw3 n ALA 16 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1bw3 n ALA 16 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 1bw3 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bw3 h GLN 17 N 0.00 -0.08 -1.55 0.00 4.15 -2.01 0.43 115.11 116.06 1bw3 h GLN 17 Ca 0.00 0.01 -0.40 0.00 0.77 0.00 0.00 58.65 59.02 1bw3 h GLN 17 Cb 0.24 0.02 -0.17 0.00 0.21 0.00 0.00 27.48 27.79 1bw3 h GLN 17 CO 0.00 -0.05 0.48 -1.71 -1.93 0.00 0.00 178.83 175.62 1bw3 n ASN 18 N -5.20 6.64 -4.38 -0.69 4.05 -1.22 -4.71 115.26 109.75 1bw3 n ASN 18 Ca -0.04 -3.19 -0.38 0.00 0.45 0.00 0.00 54.58 51.42 1bw3 n ASN 18 Cb 0.13 -1.08 -0.08 0.00 1.23 0.00 0.00 39.78 39.98 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 0.27 -0.93 -1.84 1.20 2.85 0.15 -0.84 115.26 116.13 1bw3 n ASN 19 Ca 0.38 -1.21 -0.05 0.00 -0.11 0.00 0.00 54.58 53.58 1bw3 n ASN 19 Cb 0.58 -1.54 -0.01 0.00 1.24 0.00 0.00 39.78 40.05 1bw3 n ASN 19 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1bw3 n TRP 20 N -4.09 -0.86 -1.62 1.20 2.14 0.04 -4.73 117.44 109.52 1bw3 n TRP 20 Ca -0.02 0.08 -0.15 0.00 2.07 0.00 0.00 57.50 59.49 1bw3 n TRP 20 Cb 0.51 -0.58 -0.07 0.00 -0.81 0.00 0.00 31.31 30.35 1bw3 n TRP 20 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1bw3 s ASP 21 N -1.24 3.98 0.44 -0.67 -1.08 -0.02 -4.76 116.67 113.32 1bw3 s ASP 21 Ca 0.10 -0.08 0.35 0.00 -0.52 0.00 0.00 52.55 52.41 1bw3 s ASP 21 Cb -0.06 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 40.28 1bw3 s ASP 21 CO 0.12 -3.82 1.41 0.18 0.52 0.00 0.00 175.17 173.58 1bw3 n LEU 22 N 18.29 0.12 -0.17 -1.34 4.77 -1.26 0.95 117.00 138.36 1bw3 n LEU 22 Ca 0.46 1.12 -0.02 0.00 -0.03 0.00 0.00 56.01 57.54 1bw3 n LEU 22 Cb 0.44 -0.56 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1bw3 n LEU 22 CO 0.55 -1.19 0.96 1.23 -1.33 0.00 0.00 177.39 177.61 1bw3 h GLY 23 N 0.00 0.70 -3.01 -0.72 0.00 -1.86 0.43 103.07 98.61 1bw3 h GLY 23 Ca 0.82 -0.10 -0.35 0.00 0.00 0.00 0.00 47.33 47.70 1bw3 h GLY 23 CO -0.27 -0.00 0.47 0.00 0.00 0.00 0.00 176.54 176.73 1bw3 n ALA 24 N -2.44 -0.16 -0.26 3.60 0.00 0.27 -3.93 120.51 117.59 1bw3 n ALA 24 Ca 0.06 0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 1bw3 n ALA 24 Cb 0.22 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 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 2.66 -0.27 0.20 0.00 -0.04 -1.26 -0.14 135.00 136.15 1bw3 n PRO 25 Ca 0.20 0.93 0.08 0.00 -0.04 0.00 0.00 63.50 64.67 1bw3 n PRO 25 Cb -0.02 -1.37 0.43 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.29 1.23 0.00 0.55 0.00 -1.92 -3.15 119.26 116.26 1bw3 h ALA 26 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1bw3 h ALA 26 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bw3 h ALA 26 CO -0.57 -0.23 -0.24 0.28 0.00 0.00 0.00 179.25 178.49 1bw3 n VAL 27 N -2.20 0.57 -3.15 0.00 0.31 0.80 -5.07 118.33 109.59 1bw3 n VAL 27 Ca -0.01 0.27 -0.25 0.00 -0.01 0.00 0.00 64.34 64.34 1bw3 n VAL 27 Cb 0.34 -1.59 0.02 0.00 -0.91 0.00 0.00 33.84 31.70 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 -3.13 -3.90 -4.85 4.52 3.41 0.15 -4.97 113.62 104.85 1bw3 n SER 28 Ca -0.03 -0.39 -0.34 0.00 -0.26 0.00 0.00 58.87 57.85 1bw3 n SER 28 Cb 0.12 -1.20 -0.06 0.00 -0.26 0.00 0.00 64.21 62.82 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 -1.79 3.53 0.00 7.33 0.00 -1.14 -5.00 121.76 124.68 1bw3 s ALA 29 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1bw3 s ALA 29 Cb -0.02 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1bw3 s ALA 29 CO 0.67 0.45 0.00 0.98 0.00 0.00 0.00 175.76 177.86 1bw3 n TYR 30 N 0.28 0.00 -0.38 0.00 4.19 -1.25 -0.01 117.16 119.98 1bw3 n TYR 30 Ca -0.02 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.19 1bw3 n TYR 30 Cb 0.52 0.00 0.25 0.00 0.49 0.00 0.00 39.34 40.60 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw3 h ALA 32 N 2.91 1.04 0.00 0.00 0.00 -0.73 0.44 119.26 122.92 1bw3 h ALA 32 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bw3 h ALA 32 Cb 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1bw3 h ALA 32 CO 0.45 -0.04 -0.27 1.15 0.00 0.00 0.00 179.25 180.54 1bw3 h THR 33 N 0.00 0.00 0.00 0.00 2.02 -1.79 -3.32 112.91 109.82 1bw3 h THR 33 Ca 0.00 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1bw3 h THR 33 Cb 0.09 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1bw3 h THR 33 CO 0.00 0.00 -0.77 0.79 0.37 0.00 0.00 175.52 175.91 1bw3 n TRP 34 N -2.28 0.00 0.13 3.16 8.01 0.80 -4.82 117.44 122.44 1bw3 n TRP 34 Ca 0.04 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.02 1bw3 n TRP 34 Cb 0.45 0.03 -0.15 0.00 -2.01 0.00 0.00 31.31 29.63 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 0.00 0.70 -0.95 -0.99 5.19 -0.54 -3.29 116.42 116.54 1bw3 h ASP 35 Ca 0.00 -0.75 0.27 0.00 -0.62 0.00 0.00 57.03 55.93 1bw3 h ASP 35 Cb 0.77 -0.23 -0.14 0.00 0.18 0.00 0.00 39.33 39.92 1bw3 h ASP 35 CO 0.00 1.58 0.46 0.00 -3.12 0.00 0.00 179.24 178.16 1bw3 h ALA 36 N 0.31 1.67 -0.65 3.45 0.00 -1.66 0.30 119.26 122.68 1bw3 h ALA 36 Ca -0.21 0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1bw3 h ALA 36 Cb 2.09 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 1bw3 h ALA 36 CO 0.25 -0.45 0.45 0.66 0.00 0.00 0.00 179.25 180.16 1bw3 h SER 37 N 0.36 0.14 -3.21 0.00 4.64 -1.81 -3.43 113.55 110.23 1bw3 h SER 37 Ca 0.64 0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 61.44 1bw3 h SER 37 Cb 1.35 -0.02 0.07 0.00 -0.31 0.00 0.00 62.40 63.49 1bw3 h SER 37 CO -0.58 0.07 0.88 -0.54 -0.87 0.00 0.00 176.83 175.79 1bw3 s LYS 38 N -5.15 4.16 0.76 4.77 -0.14 0.10 -4.91 119.74 119.33 1bw3 s LYS 38 Ca -0.06 2.51 -0.15 0.00 -1.36 0.00 0.00 55.97 56.91 1bw3 s LYS 38 Cb 0.20 -3.06 -0.01 0.00 -1.68 0.00 0.00 37.83 33.29 1bw3 s LYS 38 CO 0.75 -0.60 0.64 -0.35 -0.76 0.00 0.00 175.35 175.03 1bw3 n PRO 39 N 2.58 0.24 0.06 -1.68 -0.04 -1.26 -4.71 135.00 130.19 1bw3 n PRO 39 Ca 0.09 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1bw3 n PRO 39 Cb 0.38 -1.95 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 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 -0.58 -0.61 -0.87 1.53 -0.00 -1.91 -2.79 115.31 110.08 1bw3 h LEU 40 Ca -0.46 0.09 0.15 0.00 -0.00 0.00 0.00 57.88 57.66 1bw3 h LEU 40 Cb 1.33 0.25 -0.15 0.00 -0.00 0.00 0.00 40.66 42.09 1bw3 h LEU 40 CO 0.42 -0.28 -0.34 -1.28 -0.00 0.00 0.00 178.44 176.97 1bw3 h SER 41 N -0.34 -1.23 0.23 -0.43 0.87 -1.98 0.15 113.55 110.83 1bw3 h SER 41 Ca 0.06 0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1bw3 h SER 41 Cb 0.41 0.67 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1bw3 h SER 41 CO -0.19 -0.29 -0.17 -0.25 -0.53 0.00 0.00 176.83 175.39 1bw3 h TRP 42 N -0.04 -0.45 -0.96 2.24 7.01 -1.85 0.62 115.95 122.53 1bw3 h TRP 42 Ca 0.34 -0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.53 1bw3 h TRP 42 Cb 0.60 0.17 -0.11 0.00 -2.10 0.00 0.00 29.16 27.72 1bw3 h TRP 42 CO -0.77 -0.26 0.55 0.00 -2.79 0.00 0.00 178.44 175.16 1bw3 h ARG 43 N -0.41 0.65 0.16 2.65 3.08 -0.81 -0.99 114.38 118.72 1bw3 h ARG 43 Ca -0.01 -0.04 -0.32 0.00 0.07 0.00 0.00 59.98 59.67 1bw3 h ARG 43 Cb 0.36 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1bw3 h ARG 43 CO -0.00 0.43 -1.57 0.66 -1.07 0.00 0.00 179.97 178.42 1bw3 h SER 44 N 0.67 0.54 -0.41 7.04 4.64 -0.53 -3.35 113.55 122.15 1bw3 h SER 44 Ca 0.56 -0.72 0.08 0.00 -0.47 0.00 0.00 61.79 61.25 1bw3 h SER 44 Cb 0.91 -0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 62.74 1bw3 h SER 44 CO -0.41 1.59 -0.15 0.50 -0.87 0.00 0.00 176.83 177.49 1bw3 h LYS 45 N 0.09 -0.06 0.00 4.77 3.64 0.10 -3.43 116.57 121.69 1bw3 h LYS 45 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1bw3 h LYS 45 Cb 2.07 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1bw3 h LYS 45 CO 0.19 -0.04 0.00 0.98 -2.27 0.00 0.00 179.45 178.31 1bw3 n TYR 46 N -5.35 0.00 -3.13 1.91 9.36 -0.45 -5.08 117.16 114.42 1bw3 n TYR 46 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1bw3 n TYR 46 Cb 0.26 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 1bw3 n TYR 46 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bw3 n GLY 47 N 5.00 2.73 0.00 2.98 0.00 -1.26 -4.83 105.19 109.81 1bw3 n GLY 47 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1bw3 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw3 n TRP 48 N -0.61 0.00 -2.58 1.61 4.27 -1.19 -3.94 117.44 114.99 1bw3 n TRP 48 Ca 0.00 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.57 1bw3 n TRP 48 Cb 0.00 0.00 0.02 0.00 -1.36 0.00 0.00 31.31 29.97 1bw3 n TRP 48 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1bw3 n THR 49 N 0.00 0.00 -3.62 -1.67 -2.24 0.24 -4.69 114.28 102.30 1bw3 n THR 49 Ca 0.00 -0.33 -0.23 0.00 -2.27 0.00 0.00 64.05 61.22 1bw3 n THR 49 Cb 0.00 -1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 67.08 1bw3 n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw3 s ALA 50 N -2.57 4.27 0.13 6.98 0.00 -1.17 -0.59 121.76 128.81 1bw3 s ALA 50 Ca 0.12 -1.71 0.08 0.00 0.00 0.00 0.00 51.96 50.46 1bw3 s ALA 50 Cb -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1bw3 s ALA 50 CO 0.08 -0.38 -0.19 -0.59 0.00 0.00 0.00 175.76 174.67 1bw3 s PHE 51 N -2.61 1.77 0.11 0.00 -0.71 0.45 -4.74 117.98 112.27 1bw3 s PHE 51 Ca 0.45 -0.45 0.00 0.00 -1.04 0.00 0.00 56.93 55.89 1bw3 s PHE 51 Cb -0.03 -0.93 0.00 0.00 -1.21 0.00 0.00 43.02 40.85 1bw3 s PHE 51 CO 0.27 0.25 0.00 0.00 -1.34 0.00 0.00 175.22 174.40 1bw3 n GLY 53 N 2.63 0.27 0.31 0.00 0.00 -1.26 -4.81 105.19 102.33 1bw3 n GLY 53 Ca 0.00 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.53 0.19 -0.38 1.61 0.13 -2.03 0.19 132.00 131.18 1bw3 h PRO 54 Ca -0.16 -0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.67 1bw3 h PRO 54 Cb 1.09 -0.04 -0.30 0.00 0.13 0.00 0.00 31.00 31.87 1bw3 h PRO 54 CO 0.14 0.12 -0.83 0.00 -0.23 0.00 0.00 178.00 177.20 1bw3 n ALA 55 N -2.72 3.79 -2.80 -0.56 0.00 -1.26 -4.91 120.51 112.05 1bw3 n ALA 55 Ca 0.22 -3.25 -0.08 0.00 0.00 0.00 0.00 53.44 50.32 1bw3 n ALA 55 Cb 0.69 -0.50 0.02 0.00 0.00 0.00 0.00 19.45 19.67 1bw3 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw3 n GLY 56 N -0.63 0.06 3.55 0.00 0.00 0.68 -3.67 105.19 105.18 1bw3 n GLY 56 Ca 0.25 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 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 0.62 2.81 -0.31 1.61 0.04 -1.25 -4.08 135.00 134.45 1bw3 s PRO 57 Ca 0.32 0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 1bw3 s PRO 57 Cb 0.14 -4.32 0.14 0.00 0.04 0.00 0.00 34.50 30.50 1bw3 s PRO 57 CO -0.17 -2.54 0.29 0.50 0.04 0.00 0.00 177.00 175.11 1bw3 s ARG 58 N 6.61 0.37 0.00 4.56 6.06 -1.26 -5.05 118.95 130.24 1bw3 s ARG 58 Ca 0.58 -0.36 0.00 0.00 -2.50 0.00 0.00 55.73 53.44 1bw3 s ARG 58 Cb -0.11 -0.76 0.00 0.00 0.06 0.00 0.00 34.95 34.14 1bw3 s ARG 58 CO 0.19 -1.07 0.00 0.41 -2.50 0.00 0.00 175.30 172.34 1bw3 n GLY 59 N 5.07 0.51 0.28 8.12 0.00 -1.26 -4.66 105.19 113.25 1bw3 n GLY 59 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.07 -1.73 1.61 4.20 -2.01 0.75 115.11 117.86 1bw3 h GLN 60 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 1bw3 h GLN 60 Cb 0.00 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.69 1bw3 h GLN 60 CO 0.00 -0.05 0.25 0.00 -0.67 0.00 0.00 178.83 178.37 1bw3 n ALA 61 N -3.10 5.07 -0.00 3.87 0.00 -1.26 -3.38 120.51 121.71 1bw3 n ALA 61 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.04 1bw3 n ALA 61 Cb 0.18 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.85 2.00 -1.03 0.00 0.00 0.25 -4.87 120.51 117.71 1bw3 n ALA 62 Ca 0.25 -0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1bw3 n ALA 62 Cb 0.58 0.12 -0.11 0.00 0.00 0.00 0.00 19.45 20.04 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 5.38 -0.49 3.59 0.00 0.00 -1.25 -5.09 105.19 107.33 1bw3 n GLY 64 Ca 0.45 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 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 1.98 0.30 1.61 1.02 0.45 -4.83 119.74 120.27 1bw3 s LYS 65 Ca 0.00 -1.77 0.04 0.00 0.02 0.00 0.00 55.97 54.26 1bw3 s LYS 65 Cb 0.00 -1.87 -0.06 0.00 -0.52 0.00 0.00 37.83 35.38 1bw3 s LYS 65 CO 0.00 0.18 0.02 0.00 -0.92 0.00 0.00 175.35 174.64 1bw3 s LEU 67 N -3.45 1.91 -0.16 0.00 1.43 0.41 -0.32 118.68 118.50 1bw3 s LEU 67 Ca 0.34 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 1bw3 s LEU 67 Cb 0.07 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1bw3 s LEU 67 CO 0.14 0.14 0.43 -0.60 0.23 0.00 0.00 176.35 176.68 1bw3 s ARG 68 N 0.22 4.26 -0.15 1.70 3.52 0.35 -0.14 118.95 128.71 1bw3 s ARG 68 Ca -0.10 0.31 -0.00 0.00 -0.13 0.00 0.00 55.73 55.82 1bw3 s ARG 68 Cb -0.14 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.76 1bw3 s ARG 68 CO 0.04 0.07 -0.14 0.08 -0.81 0.00 0.00 175.30 174.55 1bw3 s VAL 69 N 0.94 2.87 0.04 7.11 1.01 0.60 -1.56 120.40 131.42 1bw3 s VAL 69 Ca 0.22 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1bw3 s VAL 69 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1bw3 s VAL 69 CO 0.08 0.51 -0.23 -0.89 0.00 0.00 0.00 175.10 174.58 1bw3 s THR 70 N 0.67 1.86 -0.53 3.92 2.01 0.03 -0.70 115.64 122.90 1bw3 s THR 70 Ca -0.07 -1.27 -0.16 0.00 0.31 0.00 0.00 61.69 60.51 1bw3 s THR 70 Cb -0.16 -1.60 0.13 0.00 0.01 0.00 0.00 72.50 70.88 1bw3 s THR 70 CO 0.02 0.28 0.49 0.21 -0.69 0.00 0.00 174.62 174.93 1bw3 s ASN 71 N -1.18 6.16 0.46 3.53 3.84 0.56 -1.27 114.94 127.04 1bw3 s ASN 71 Ca 0.09 -1.77 0.21 0.00 0.21 0.00 0.00 52.86 51.61 1bw3 s ASN 71 Cb -0.09 -2.20 1.20 0.00 -0.55 0.00 0.00 41.25 39.61 1bw3 s ASN 71 CO 0.02 -0.84 1.87 -0.65 -2.79 0.00 0.00 177.10 174.71 1bw3 h PRO 72 N 8.86 0.27 -0.08 0.43 0.10 -1.88 0.26 132.00 139.97 1bw3 h PRO 72 Ca -0.29 -0.02 -0.13 0.00 0.10 0.00 0.00 66.00 65.66 1bw3 h PRO 72 Cb 1.10 -0.06 0.01 0.00 0.10 0.00 0.00 31.00 32.14 1bw3 h PRO 72 CO 1.02 0.18 -0.45 0.00 0.10 0.00 0.00 178.00 178.85 1bw3 h ALA 73 N 1.61 0.16 0.02 -0.75 0.00 -1.93 -3.39 119.26 114.97 1bw3 h ALA 73 Ca 0.44 -0.49 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1bw3 h ALA 73 Cb 1.29 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1bw3 h ALA 73 CO -0.12 0.31 -1.93 0.25 0.00 0.00 0.00 179.25 177.76 1bw3 n THR 74 N -4.30 1.56 0.00 0.00 -2.24 -0.96 -5.00 114.28 103.35 1bw3 n THR 74 Ca -0.08 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1bw3 n THR 74 Cb 0.57 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 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 1.52 1.07 3.78 3.38 0.00 0.89 -5.08 105.19 110.75 1bw3 n GLY 75 Ca -0.42 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.00 3.30 0.05 4.61 0.00 -1.25 -4.77 121.76 121.70 1bw3 s ALA 76 Ca 0.00 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1bw3 s ALA 76 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1bw3 s ALA 76 CO 0.00 0.22 -0.11 -1.14 0.00 0.00 0.00 175.76 174.74 1bw3 s GLN 77 N -1.81 0.66 0.02 0.00 -0.44 -1.26 -0.32 119.66 116.51 1bw3 s GLN 77 Ca 0.46 -0.83 -0.01 0.00 -2.50 0.00 0.00 55.36 52.48 1bw3 s GLN 77 Cb -0.20 -0.53 -0.02 0.00 -1.64 0.00 0.00 33.01 30.62 1bw3 s GLN 77 CO 0.25 0.11 -0.01 -1.50 0.50 0.00 0.00 175.29 174.64 1bw3 s ILE 78 N -1.30 0.12 -0.09 -2.34 1.10 0.12 -5.01 121.20 113.81 1bw3 s ILE 78 Ca -0.06 -1.00 0.02 0.00 -0.51 0.00 0.00 60.65 59.10 1bw3 s ILE 78 Cb -0.10 -0.45 -0.02 0.00 0.15 0.00 0.00 42.46 42.04 1bw3 s ILE 78 CO 0.01 -0.55 -0.15 -0.89 -2.11 0.00 0.00 174.94 171.25 1bw3 s THR 79 N -1.79 2.94 0.27 4.00 2.01 -1.26 -0.29 115.64 121.52 1bw3 s THR 79 Ca -0.13 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 61.24 1bw3 s THR 79 Cb -0.07 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1bw3 s THR 79 CO -0.02 0.56 -0.03 0.00 -0.69 0.00 0.00 174.62 174.44 1bw3 s ALA 80 N -0.16 3.10 -0.15 7.40 0.00 0.80 -4.34 121.76 128.41 1bw3 s ALA 80 Ca -0.01 -1.68 -0.07 0.00 0.00 0.00 0.00 51.96 50.20 1bw3 s ALA 80 Cb -0.13 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1bw3 s ALA 80 CO 0.03 0.27 0.10 0.50 0.00 0.00 0.00 175.76 176.67 1bw3 s ARG 81 N -3.64 3.72 -0.50 0.00 3.52 -1.25 -0.45 118.95 120.35 1bw3 s ARG 81 Ca 0.31 -0.24 -0.22 0.00 -0.13 0.00 0.00 55.73 55.46 1bw3 s ARG 81 Cb -0.06 -3.21 0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1bw3 s ARG 81 CO 0.19 0.52 0.75 0.42 -0.81 0.00 0.00 175.30 176.37 1bw3 s ILE 82 N -0.29 4.68 0.00 4.11 1.01 -0.19 0.80 121.20 131.32 1bw3 s ILE 82 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1bw3 s ILE 82 Cb -0.12 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.99 1bw3 s ILE 82 CO 0.01 -0.86 0.00 0.55 0.00 0.00 0.00 174.94 174.64 1bw3 n VAL 83 N 5.91 0.00 -4.01 2.92 3.14 0.24 -3.90 118.33 122.62 1bw3 n VAL 83 Ca -0.02 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.13 1bw3 n VAL 83 Cb 0.47 -0.56 -0.01 0.00 -1.06 0.00 0.00 33.84 32.67 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 -1.68 2.61 -4.34 6.55 2.03 -0.61 -2.69 116.55 118.41 1bw3 n ASP 84 Ca 0.00 -2.61 -0.26 0.00 0.52 0.00 0.00 54.79 52.43 1bw3 n ASP 84 Cb 0.33 0.05 -0.13 0.00 -0.72 0.00 0.00 41.12 40.65 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 -3.76 1.28 0.45 -0.67 0.74 -1.26 -0.41 119.66 116.03 1bw3 s GLN 85 Ca 0.19 -1.28 0.05 0.00 0.05 0.00 0.00 55.36 54.38 1bw3 s GLN 85 Cb -0.02 -1.66 0.01 0.00 1.10 0.00 0.00 33.01 32.45 1bw3 s GLN 85 CO 0.12 0.39 0.62 0.00 -0.55 0.00 0.00 175.29 175.87 1bw3 n ALA 87 N -1.98 3.00 -0.01 0.00 0.00 -1.26 -4.94 120.51 115.32 1bw3 n ALA 87 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 1bw3 n ALA 87 Cb 0.59 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.61 4.40 -3.63 0.00 6.94 -1.26 -5.06 115.26 114.04 1bw3 n ASN 88 Ca 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1bw3 n ASN 88 Cb 0.00 0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw3 n GLY 89 N 2.92 -2.06 0.00 4.83 0.00 -1.26 -5.10 105.19 104.53 1bw3 n GLY 89 Ca -0.04 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 1.84 0.39 0.31 -0.02 0.00 -1.26 -4.97 105.19 101.48 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 1.47 0.00 0.00 0.00 173.32 174.79 1bw3 n LEU 91 N 0.00 0.00 -4.22 0.99 -0.00 -1.26 -4.86 117.00 107.65 1bw3 n LEU 91 Ca 0.00 -0.64 -0.21 0.00 -0.00 0.00 0.00 56.01 55.17 1bw3 n LEU 91 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 1bw3 n LEU 91 CO 0.00 0.18 -0.48 1.51 -0.00 0.00 0.00 177.39 178.59 1bw3 s ASP 92 N -0.61 2.07 -0.03 1.45 -4.77 -1.26 -3.04 116.67 110.48 1bw3 s ASP 92 Ca 0.00 -0.64 0.04 0.00 -3.30 0.00 0.00 52.55 48.64 1bw3 s ASP 92 Cb 0.00 -0.09 0.06 0.00 -1.09 0.00 0.00 42.92 41.79 1bw3 s ASP 92 CO 0.00 -0.01 0.89 0.00 0.70 0.00 0.00 175.17 176.75 1bw3 n LEU 93 N 1.22 1.24 0.00 2.11 -0.00 -1.26 -4.45 117.00 115.85 1bw3 n LEU 93 Ca -0.20 -1.52 0.00 0.00 -0.00 0.00 0.00 56.01 54.29 1bw3 n LEU 93 Cb 0.54 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1bw3 n LEU 93 CO 0.22 0.37 0.00 0.47 -0.00 0.00 0.00 177.39 178.45 1bw3 n ASP 94 N -0.47 0.00 -4.15 1.45 9.92 -1.26 -4.88 116.55 117.15 1bw3 n ASP 94 Ca 0.03 -0.89 -0.44 0.00 -0.53 0.00 0.00 54.79 52.97 1bw3 n ASP 94 Cb 0.46 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.94 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1bw3 n TRP 95 N -1.32 3.63 -2.34 1.24 -0.00 -1.26 -4.70 117.44 112.70 1bw3 n TRP 95 Ca 0.00 -3.17 -0.10 0.00 -0.00 0.00 0.00 57.50 54.23 1bw3 n TRP 95 Cb 0.00 -1.51 -0.02 0.00 -0.00 0.00 0.00 31.31 29.79 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 2.14 -0.79 -0.66 5.87 9.92 -1.26 -4.71 116.55 127.05 1bw3 n ASP 96 Ca 0.26 -0.13 0.51 0.00 -0.53 0.00 0.00 54.79 54.90 1bw3 n ASP 96 Cb 0.36 -0.73 0.79 0.00 -0.64 0.00 0.00 41.12 40.90 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1bw3 n THR 97 N -1.93 -0.05 -0.07 -3.53 -2.24 -1.26 0.54 114.28 105.74 1bw3 n THR 97 Ca 0.03 1.54 -0.09 0.00 -2.27 0.00 0.00 64.05 63.25 1bw3 n THR 97 Cb 0.28 -2.55 -0.07 0.00 -2.10 0.00 0.00 70.33 65.89 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 0.00 0.76 0.46 2.28 2.07 -1.99 -3.35 116.25 116.48 1bw3 h VAL 98 Ca 0.92 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1bw3 h VAL 98 Cb 3.58 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 34.88 1bw3 h VAL 98 CO -0.10 0.26 -0.22 0.15 0.02 0.00 0.00 177.57 177.68 1bw3 h PHE 99 N -1.00 -0.57 0.00 1.57 3.57 -0.26 -1.47 116.94 118.77 1bw3 h PHE 99 Ca -0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1bw3 h PHE 99 Cb 0.64 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1bw3 h PHE 99 CO 0.08 -0.26 0.00 0.25 -2.23 0.00 0.00 178.31 176.15 1bw3 n THR 100 N -5.27 0.70 -0.10 4.41 -2.24 0.68 -1.01 114.28 111.45 1bw3 n THR 100 Ca -0.11 0.18 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 1bw3 n THR 100 Cb 0.30 -1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 67.29 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 -1.18 0.48 -0.08 -0.78 4.76 -1.10 -4.62 118.16 115.64 1bw3 n LYS 101 Ca 0.00 0.20 0.10 0.00 -2.87 0.00 0.00 58.31 55.75 1bw3 n LYS 101 Cb 0.00 -1.31 0.37 0.00 -1.84 0.00 0.00 35.03 32.26 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 -4.12 0.21 -0.76 -0.18 -6.64 -0.57 -4.50 119.36 102.81 1bw3 n ILE 102 Ca -0.36 -0.34 -0.08 0.00 -1.77 0.00 0.00 62.75 60.20 1bw3 n ILE 102 Cb 0.71 0.36 -0.04 0.00 -1.44 0.00 0.00 39.64 39.23 1bw3 n ILE 102 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1bw3 n ASP 103 N 0.31 5.58 -0.33 7.28 5.75 -0.18 -4.69 116.55 130.27 1bw3 n ASP 103 Ca 0.16 -2.59 0.11 0.00 -0.01 0.00 0.00 54.79 52.46 1bw3 n ASP 103 Cb 0.33 -1.20 0.22 0.00 -1.03 0.00 0.00 41.12 39.44 1bw3 n ASP 103 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bw3 n THR 104 N 1.53 -0.39 -0.13 2.12 -2.24 -1.26 -2.73 114.28 111.17 1bw3 n THR 104 Ca 0.19 2.08 -0.26 0.00 -2.27 0.00 0.00 64.05 63.78 1bw3 n THR 104 Cb 0.62 -2.98 -0.09 0.00 -2.10 0.00 0.00 70.33 65.78 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 -5.42 1.94 0.00 3.42 0.23 -1.26 -5.06 115.26 109.11 1bw3 n ASN 105 Ca 0.19 0.35 0.00 0.00 -0.53 0.00 0.00 54.58 54.60 1bw3 n ASN 105 Cb 0.63 -0.83 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 106 N 1.30 1.41 0.06 4.83 0.00 -1.11 -5.04 105.19 106.64 1bw3 n GLY 106 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.03 -0.10 -0.22 -0.61 2.08 -1.26 -0.58 119.36 117.64 1bw3 n ILE 107 Ca 0.00 1.02 0.00 0.00 0.56 0.00 0.00 62.75 64.33 1bw3 n ILE 107 Cb 0.00 -1.32 0.11 0.00 -0.75 0.00 0.00 39.64 37.68 1bw3 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw3 h GLY 108 N 0.00 0.93 -1.11 7.39 0.00 -1.97 -3.00 103.07 105.32 1bw3 h GLY 108 Ca 0.02 -0.18 0.42 0.00 0.00 0.00 0.00 47.33 47.59 1bw3 h GLY 108 CO -0.13 0.04 0.67 2.98 0.00 0.00 0.00 176.54 180.09 1bw3 n TYR 109 N -4.92 0.86 -0.01 5.60 9.36 0.25 -0.20 117.16 128.10 1bw3 n TYR 109 Ca 0.09 0.86 -0.11 0.00 3.32 0.00 0.00 57.90 62.07 1bw3 n TYR 109 Cb 0.25 -1.28 -0.14 0.00 -0.63 0.00 0.00 39.34 37.54 1bw3 n TYR 109 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1bw3 h GLN 110 N 0.00 0.05 0.17 2.98 1.08 -1.56 -3.40 115.11 114.42 1bw3 h GLN 110 Ca 0.80 -0.08 -0.35 0.00 -1.45 0.00 0.00 58.65 57.57 1bw3 h GLN 110 Cb 2.36 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.83 1bw3 h GLN 110 CO -0.57 0.64 -1.79 1.96 -0.95 0.00 0.00 178.83 178.13 1bw3 h GLN 111 N 0.01 0.37 0.00 1.46 4.20 -0.67 -3.49 115.11 116.99 1bw3 h GLN 111 Ca -0.29 -0.63 0.00 0.00 0.06 0.00 0.00 58.65 57.79 1bw3 h GLN 111 Cb 2.00 0.23 0.00 0.00 0.30 0.00 0.00 27.48 30.02 1bw3 h GLN 111 CO 0.09 1.29 0.00 0.41 -0.67 0.00 0.00 178.83 179.95 1bw3 n GLY 112 N 1.88 3.52 3.25 3.46 0.00 0.73 -5.09 105.19 112.94 1bw3 n GLY 112 Ca -0.26 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.07 0.53 0.41 1.61 0.00 -1.25 -4.29 115.29 112.23 1bw3 s HIS 113 Ca 0.00 -0.91 0.04 0.00 -3.00 0.00 0.00 55.06 51.19 1bw3 s HIS 113 Cb 0.00 -0.21 -0.05 0.00 -4.00 0.00 0.00 32.58 28.32 1bw3 s HIS 113 CO 0.00 -0.62 0.03 -1.17 -1.00 0.00 0.00 174.74 171.98 1bw3 s LEU 114 N -2.98 2.46 -0.26 5.38 2.96 0.26 -4.32 118.68 122.18 1bw3 s LEU 114 Ca 0.18 -1.48 0.02 0.00 -0.22 0.00 0.00 54.13 52.63 1bw3 s LEU 114 Cb 0.05 -0.64 0.05 0.00 0.50 0.00 0.00 46.19 46.16 1bw3 s LEU 114 CO -0.01 -0.64 -0.09 0.21 -1.32 0.00 0.00 176.35 174.50 1bw3 s ASN 115 N -3.68 4.42 0.46 3.68 2.47 -1.26 0.05 114.94 121.08 1bw3 s ASN 115 Ca 0.27 -1.28 0.04 0.00 0.42 0.00 0.00 52.86 52.31 1bw3 s ASN 115 Cb 0.07 -1.58 -0.04 0.00 -1.45 0.00 0.00 41.25 38.24 1bw3 s ASN 115 CO 0.13 -0.18 0.01 0.68 -3.72 0.00 0.00 177.10 174.02 1bw3 s VAL 116 N 1.16 1.55 0.05 -5.21 -7.23 0.06 -4.66 120.40 106.12 1bw3 s VAL 116 Ca -0.06 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.19 1bw3 s VAL 116 Cb -0.19 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 1bw3 s VAL 116 CO -0.05 0.00 -0.23 0.20 -0.31 0.00 0.00 175.10 174.71 1bw3 s ASN 117 N -3.80 3.40 -0.01 4.85 0.01 -0.40 -0.54 114.94 118.46 1bw3 s ASN 117 Ca 0.19 -0.53 -0.13 0.00 -0.71 0.00 0.00 52.86 51.68 1bw3 s ASN 117 Cb 0.05 -0.41 0.02 0.00 0.41 0.00 0.00 41.25 41.33 1bw3 s ASN 117 CO 0.10 0.26 0.28 -0.72 -1.51 0.00 0.00 177.10 175.50 1bw3 s TYR 118 N -0.85 -0.13 0.02 2.20 -0.85 -0.09 -0.79 117.35 116.86 1bw3 s TYR 118 Ca 0.13 0.16 0.01 0.00 -0.52 0.00 0.00 57.07 56.85 1bw3 s TYR 118 Cb -0.10 0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.29 1bw3 s TYR 118 CO 0.03 -0.38 -0.05 1.14 -1.52 0.00 0.00 175.55 174.77 1bw3 s GLN 119 N -1.46 0.38 0.42 -3.49 0.00 -0.60 -1.60 119.66 113.31 1bw3 s GLN 119 Ca -0.13 -0.53 -0.24 0.00 -0.00 0.00 0.00 55.36 54.46 1bw3 s GLN 119 Cb -0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 33.01 32.72 1bw3 s GLN 119 CO 0.03 0.02 1.16 -0.06 0.00 0.00 0.00 175.29 176.44 1bw3 s PHE 120 N -1.03 3.01 0.36 9.60 0.40 -1.26 -0.49 117.98 128.57 1bw3 s PHE 120 Ca -0.09 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 57.69 1bw3 s PHE 120 Cb -0.07 -3.37 0.03 0.00 0.51 0.00 0.00 43.02 40.11 1bw3 s PHE 120 CO -0.00 -1.34 0.65 0.54 0.70 0.00 0.00 175.22 175.76 1bw3 s VAL 121 N -1.48 0.00 0.51 -0.44 0.11 0.56 -4.75 120.40 114.92 1bw3 s VAL 121 Ca 0.59 -1.26 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 1bw3 s VAL 121 Cb -0.29 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 1bw3 s VAL 121 CO 0.36 0.00 0.77 -1.81 -3.33 0.00 0.00 175.10 171.09 1bw3 s ASP 122 N -3.12 5.75 -0.11 3.54 1.01 -1.26 -1.18 116.67 121.30 1bw3 s ASP 122 Ca 0.21 0.48 -0.10 0.00 0.71 0.00 0.00 52.55 53.86 1bw3 s ASP 122 Cb -0.03 -1.63 -0.27 0.00 1.01 0.00 0.00 42.92 42.00 1bw3 s ASP 122 CO 0.14 -0.84 0.43 0.00 0.21 0.00 0.00 175.17 175.11 1bw3 n ARG 124 N -3.62 -0.39 0.00 0.00 3.00 -1.26 -5.07 116.66 109.32 1bw3 n ARG 124 Ca -0.30 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 1bw3 n ARG 124 Cb 1.01 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 31.10 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16