#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 2.64 0.07 3.49 0.74 -1.26 -0.90 119.66 124.44 1bw3 s GLN 2 Ca 0.00 -1.63 0.08 0.00 0.05 0.00 0.00 55.36 53.86 1bw3 s GLN 2 Cb 0.00 -3.97 -0.03 0.00 1.10 0.00 0.00 33.01 30.11 1bw3 s GLN 2 CO 0.00 -1.13 -0.22 0.00 -0.55 0.00 0.00 175.29 173.39 1bw3 s ALA 3 N 1.44 1.85 0.43 1.58 0.00 -0.75 -5.03 121.76 121.28 1bw3 s ALA 3 Ca 0.04 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1bw3 s ALA 3 Cb -0.26 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 1bw3 s ALA 3 CO 0.01 0.40 0.01 0.54 0.00 0.00 0.00 175.76 176.73 1bw3 s ASN 4 N -1.51 3.79 -0.51 0.00 4.22 -1.26 -1.21 114.94 118.46 1bw3 s ASN 4 Ca 0.08 -1.45 -0.09 0.00 -2.14 0.00 0.00 52.86 49.26 1bw3 s ASN 4 Cb -0.09 -0.14 0.01 0.00 1.28 0.00 0.00 41.25 42.31 1bw3 s ASN 4 CO 0.03 -0.57 0.32 -0.90 -2.04 0.00 0.00 177.10 173.94 1bw3 n ASP 5 N -1.02 -2.23 -4.16 3.54 5.68 -0.68 -4.87 116.55 112.81 1bw3 n ASP 5 Ca -0.08 -0.58 -0.35 0.00 -0.50 0.00 0.00 54.79 53.28 1bw3 n ASP 5 Cb 0.67 -0.79 -0.13 0.00 -1.14 0.00 0.00 41.12 39.72 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1bw3 s VAL 6 N -3.37 2.98 -0.56 2.12 1.01 0.41 -4.83 120.40 118.17 1bw3 s VAL 6 Ca 0.12 -1.52 -0.39 0.00 0.00 0.00 0.00 61.98 60.19 1bw3 s VAL 6 Cb -0.07 -2.78 -0.18 0.00 0.00 0.00 0.00 36.38 33.35 1bw3 s VAL 6 CO 0.47 -0.20 2.11 -1.14 0.00 0.00 0.00 175.10 176.34 1bw3 n ARG 7 N 4.60 0.00 -4.58 2.72 0.63 -1.26 -3.79 116.66 114.97 1bw3 n ARG 7 Ca -0.11 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.49 1bw3 n ARG 7 Cb 0.43 -1.41 -0.15 0.00 0.45 0.00 0.00 32.46 31.78 1bw3 n ARG 7 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bw3 s ALA 8 N 6.16 2.52 0.22 5.13 0.00 -0.47 -4.91 121.76 130.42 1bw3 s ALA 8 Ca 1.16 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 52.15 1bw3 s ALA 8 Cb -1.37 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 1bw3 s ALA 8 CO 0.59 0.03 -0.04 -0.08 0.00 0.00 0.00 175.76 176.26 1bw3 s THR 9 N 0.72 1.15 0.17 0.00 -1.32 -1.26 -0.97 115.64 114.14 1bw3 s THR 9 Ca -0.07 -2.06 0.06 0.00 -1.21 0.00 0.00 61.69 58.42 1bw3 s THR 9 Cb -0.15 -2.24 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1bw3 s THR 9 CO 0.01 -0.42 -0.13 -0.72 -2.21 0.00 0.00 174.62 171.15 1bw3 s TYR 10 N -3.34 1.52 0.00 9.09 -0.85 -1.25 -4.15 117.35 118.37 1bw3 s TYR 10 Ca 0.26 -0.62 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 1bw3 s TYR 10 Cb 0.05 -0.74 0.00 0.00 0.38 0.00 0.00 41.96 41.64 1bw3 s TYR 10 CO 0.07 0.23 0.00 -2.39 -1.52 0.00 0.00 175.55 171.94 1bw3 n HIS 11 N -0.12 -0.55 -3.80 -3.49 1.44 -1.26 -4.92 115.22 102.51 1bw3 n HIS 11 Ca -0.10 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.24 1bw3 n HIS 11 Cb 0.60 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.58 1bw3 n HIS 11 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1bw3 s TYR 12 N -5.90 3.29 -0.58 -1.40 1.51 -1.26 -4.81 117.35 108.20 1bw3 s TYR 12 Ca 0.00 -1.68 0.05 0.00 -1.01 0.00 0.00 57.07 54.43 1bw3 s TYR 12 Cb 0.00 -2.33 0.34 0.00 -0.11 0.00 0.00 41.96 39.85 1bw3 s TYR 12 CO 0.00 -0.78 0.94 0.98 -1.11 0.00 0.00 175.55 175.58 1bw3 n TYR 13 N 4.73 3.98 -2.80 2.71 9.36 -1.26 -4.98 117.16 128.90 1bw3 n TYR 13 Ca -0.12 -4.00 -0.06 0.00 3.32 0.00 0.00 57.90 57.04 1bw3 n TYR 13 Cb 0.44 -0.49 -0.02 0.00 -0.63 0.00 0.00 39.34 38.64 1bw3 n TYR 13 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1bw3 n ARG 14 N -0.20 -0.98 0.00 2.98 0.00 -1.26 -4.78 116.66 112.41 1bw3 n ARG 14 Ca 0.31 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1bw3 n ARG 14 Cb 0.40 -0.73 0.00 0.00 -0.00 0.00 0.00 32.46 32.13 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 -1.67 0.00 0.00 2.89 -0.04 -1.26 -3.43 135.00 131.48 1bw3 n PRO 15 Ca -0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1bw3 n PRO 15 Cb 0.13 -0.41 0.32 0.00 -0.04 0.00 0.00 33.50 33.50 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 -2.58 1.70 -0.38 0.55 0.00 -1.26 0.37 120.51 118.91 1bw3 n ALA 16 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1bw3 n ALA 16 Cb 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 1bw3 n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bw3 n GLN 17 N -1.45 -0.31 -1.02 0.00 7.27 -1.22 0.29 117.38 120.95 1bw3 n GLN 17 Ca 0.04 1.43 -0.22 0.00 0.07 0.00 0.00 57.00 58.32 1bw3 n GLN 17 Cb 0.15 -2.12 0.06 0.00 2.41 0.00 0.00 30.24 30.75 1bw3 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bw3 n ASN 18 N -5.28 6.40 -3.05 1.69 4.05 -1.26 -4.72 115.26 113.10 1bw3 n ASN 18 Ca 0.06 -3.29 -0.18 0.00 0.45 0.00 0.00 54.58 51.62 1bw3 n ASN 18 Cb 0.31 -0.98 0.07 0.00 1.23 0.00 0.00 39.78 40.41 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 -0.18 -4.38 -1.05 1.20 5.15 0.15 -4.42 115.26 111.72 1bw3 n ASN 19 Ca 0.42 -0.47 -0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1bw3 n ASN 19 Cb 0.71 -4.29 -0.00 0.00 -0.53 0.00 0.00 39.78 35.67 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1bw3 n TRP 20 N -4.24 -0.01 -0.51 1.20 7.02 -0.86 -4.82 117.44 115.22 1bw3 n TRP 20 Ca -0.08 0.01 -0.16 0.00 -1.02 0.00 0.00 57.50 56.24 1bw3 n TRP 20 Cb 0.58 -1.95 -0.02 0.00 -2.42 0.00 0.00 31.31 27.50 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 3.15 -0.02 -0.99 2.03 0.16 -4.51 116.55 116.37 1bw3 n ASP 21 Ca -0.00 -2.24 -0.21 0.00 0.52 0.00 0.00 54.79 52.86 1bw3 n ASP 21 Cb 0.00 -0.89 -0.13 0.00 -0.72 0.00 0.00 41.12 39.37 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 9.30 0.31 -3.83 -2.67 3.38 -1.87 -3.37 115.31 116.56 1bw3 h LEU 22 Ca 0.33 -0.81 -0.33 0.00 0.09 0.00 0.00 57.88 57.16 1bw3 h LEU 22 Cb 0.14 -0.10 -0.19 0.00 0.09 0.00 0.00 40.66 40.60 1bw3 h LEU 22 CO 1.34 1.64 0.41 0.61 0.09 0.00 0.00 178.44 182.53 1bw3 n GLY 23 N 1.74 3.93 3.82 0.83 0.00 -1.26 -0.33 105.19 113.92 1bw3 n GLY 23 Ca -0.28 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.09 3.61 0.20 4.61 0.00 -1.26 -4.83 121.76 121.00 1bw3 s ALA 24 Ca 0.56 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.35 1bw3 s ALA 24 Cb 0.45 -2.59 0.21 0.00 0.00 0.00 0.00 23.12 21.20 1bw3 s ALA 24 CO 0.13 0.42 1.37 -0.35 0.00 0.00 0.00 175.76 177.32 1bw3 n PRO 25 N 1.69 -0.21 -0.18 0.00 -0.04 -1.26 -0.35 135.00 134.65 1bw3 n PRO 25 Ca -0.11 1.36 0.06 0.00 -0.04 0.00 0.00 63.50 64.77 1bw3 n PRO 25 Cb 0.51 -2.01 0.19 0.00 -0.04 0.00 0.00 33.50 32.14 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 26 N -3.54 2.45 -0.04 0.55 0.00 -1.26 -4.33 120.51 114.34 1bw3 n ALA 26 Ca 0.09 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 1bw3 n ALA 26 Cb 0.35 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 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 0.57 1.11 -2.52 0.00 0.31 0.52 -5.07 118.33 113.26 1bw3 n VAL 27 Ca 0.13 0.08 -0.18 0.00 -0.01 0.00 0.00 64.34 64.36 1bw3 n VAL 27 Cb 0.32 -1.85 0.01 0.00 -0.91 0.00 0.00 33.84 31.41 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 -3.82 -2.66 -3.80 4.52 3.41 -0.60 -4.92 113.62 105.75 1bw3 n SER 28 Ca -0.15 -0.20 -0.30 0.00 -0.26 0.00 0.00 58.87 57.96 1bw3 n SER 28 Cb 0.44 -0.80 0.23 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.22 1.00 -0.15 7.33 0.00 0.55 -4.90 121.76 124.37 1bw3 s ALA 29 Ca 0.14 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 1bw3 s ALA 29 Cb -0.01 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1bw3 s ALA 29 CO 0.45 -3.37 -0.21 0.98 0.00 0.00 0.00 175.76 173.61 1bw3 n TYR 30 N -4.56 0.74 1.59 0.00 4.19 -1.15 -4.34 117.16 113.63 1bw3 n TYR 30 Ca 0.15 0.32 0.00 0.00 3.31 0.00 0.00 57.90 61.68 1bw3 n TYR 30 Cb 0.60 -0.73 0.00 0.00 0.49 0.00 0.00 39.34 39.70 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 2.59 0.36 -0.45 0.00 0.00 -1.83 0.31 119.26 120.24 1bw3 h ALA 32 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1bw3 h ALA 32 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1bw3 h ALA 32 CO 0.00 -0.25 0.41 1.15 0.00 0.00 0.00 179.25 180.55 1bw3 h THR 33 N 0.29 0.51 0.00 0.00 2.02 -1.87 -2.91 112.91 110.94 1bw3 h THR 33 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1bw3 h THR 33 Cb 0.06 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1bw3 h THR 33 CO -0.10 0.00 -1.00 0.79 0.37 0.00 0.00 175.52 175.57 1bw3 n TRP 34 N -3.96 0.00 0.06 3.16 8.01 -0.82 -4.83 117.44 119.06 1bw3 n TRP 34 Ca 0.08 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.37 1bw3 n TRP 34 Cb 0.60 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.84 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw3 n ASP 35 N -2.21 0.62 -0.04 -0.99 9.92 0.10 -4.25 116.55 119.69 1bw3 n ASP 35 Ca -0.00 0.24 0.24 0.00 -0.53 0.00 0.00 54.79 54.74 1bw3 n ASP 35 Cb 0.50 0.83 0.66 0.00 -0.64 0.00 0.00 41.12 42.48 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw3 h ALA 36 N 1.93 2.47 0.27 2.24 0.00 -1.57 -0.68 119.26 123.93 1bw3 h ALA 36 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bw3 h ALA 36 Cb 1.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1bw3 h ALA 36 CO 0.00 -1.07 -0.13 0.66 0.00 0.00 0.00 179.25 178.72 1bw3 h SER 37 N 0.00 -0.31 -1.00 0.00 4.64 -1.82 -3.45 113.55 111.61 1bw3 h SER 37 Ca 0.32 -0.22 -0.77 0.00 -0.47 0.00 0.00 61.79 60.65 1bw3 h SER 37 Cb 1.76 0.08 0.06 0.00 -0.31 0.00 0.00 62.40 63.99 1bw3 h SER 37 CO -0.00 0.14 -0.04 0.29 -0.87 0.00 0.00 176.83 176.35 1bw3 n LYS 38 N -5.06 0.00 -0.40 4.77 4.76 -0.26 -4.90 118.16 117.07 1bw3 n LYS 38 Ca -0.09 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.07 1bw3 n LYS 38 Cb 0.26 -1.41 0.26 0.00 -1.84 0.00 0.00 35.03 32.30 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 1.41 -3.39 -0.06 1.97 -0.04 -1.26 -4.81 135.00 128.82 1bw3 n PRO 39 Ca 0.20 -0.99 -0.13 0.00 -0.04 0.00 0.00 63.50 62.54 1bw3 n PRO 39 Cb 0.11 -1.94 -0.07 0.00 -0.04 0.00 0.00 33.50 31.56 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 -3.04 0.41 -0.03 1.53 5.85 -1.96 -3.14 115.31 114.93 1bw3 h LEU 40 Ca -0.50 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 57.74 1bw3 h LEU 40 Cb 1.28 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1bw3 h LEU 40 CO 0.35 0.82 -0.02 -1.54 -0.34 0.00 0.00 178.44 177.71 1bw3 n SER 41 N -4.53 -0.03 0.19 1.25 3.41 -1.26 -0.25 113.62 112.40 1bw3 n SER 41 Ca -0.06 0.52 -0.15 0.00 -0.26 0.00 0.00 58.87 58.92 1bw3 n SER 41 Cb 0.38 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1bw3 h TRP 42 N 0.00 -0.74 -0.94 7.33 7.01 -1.95 -0.82 115.95 125.85 1bw3 h TRP 42 Ca 0.00 0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.16 1bw3 h TRP 42 Cb 0.01 0.28 -0.08 0.00 -2.10 0.00 0.00 29.16 27.28 1bw3 h TRP 42 CO -0.47 -0.40 0.60 -0.09 -2.79 0.00 0.00 178.44 175.29 1bw3 h ARG 43 N -0.59 0.75 0.15 2.65 2.43 -0.91 0.88 114.38 119.73 1bw3 h ARG 43 Ca -0.01 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.84 1bw3 h ARG 43 Cb 0.54 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1bw3 h ARG 43 CO -0.05 0.49 -1.34 0.66 -1.51 0.00 0.00 179.97 178.23 1bw3 h SER 44 N 0.77 0.49 -0.88 -3.80 4.64 -0.55 -3.34 113.55 110.87 1bw3 h SER 44 Ca 0.48 -0.90 0.17 0.00 -0.47 0.00 0.00 61.79 61.07 1bw3 h SER 44 Cb 0.71 -0.16 -0.16 0.00 -0.31 0.00 0.00 62.40 62.48 1bw3 h SER 44 CO -0.25 1.61 -0.27 0.50 -0.87 0.00 0.00 176.83 177.55 1bw3 h LYS 45 N -0.21 -0.02 -3.98 4.77 3.11 -0.57 -3.25 116.57 116.43 1bw3 h LYS 45 Ca -0.27 0.00 -0.77 0.00 -2.81 0.00 0.00 60.65 56.80 1bw3 h LYS 45 Cb 1.83 0.00 -0.25 0.00 -1.00 0.00 0.00 32.23 32.82 1bw3 h LYS 45 CO 0.12 -0.01 -0.09 -0.47 -2.81 0.00 0.00 179.45 176.19 1bw3 s TYR 46 N -6.17 3.46 0.28 1.91 6.14 0.25 -5.05 117.35 118.18 1bw3 s TYR 46 Ca -0.15 -1.58 -0.24 0.00 0.64 0.00 0.00 57.07 55.74 1bw3 s TYR 46 Cb 0.23 -3.81 -0.16 0.00 0.42 0.00 0.00 41.96 38.64 1bw3 s TYR 46 CO 0.75 -1.01 0.31 0.41 0.64 0.00 0.00 175.55 176.65 1bw3 n GLY 47 N 4.72 -2.12 2.25 8.97 0.00 -1.23 -4.58 105.19 113.20 1bw3 n GLY 47 Ca -0.02 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.45 -0.67 -0.20 1.61 4.27 -1.26 0.23 117.44 120.97 1bw3 n TRP 48 Ca 0.14 -3.38 0.00 0.00 -3.89 0.00 0.00 57.50 50.37 1bw3 n TRP 48 Cb 0.31 -0.15 0.00 0.00 -1.36 0.00 0.00 31.31 30.11 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 1.51 0.00 -3.70 -1.67 -2.24 -0.63 -4.52 114.28 103.03 1bw3 n THR 49 Ca 0.20 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.77 1bw3 n THR 49 Cb 0.54 -1.68 -0.04 0.00 -2.10 0.00 0.00 70.33 67.05 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 -3.80 3.94 -0.01 6.98 0.00 -1.26 -2.20 121.76 125.41 1bw3 s ALA 50 Ca 0.00 -1.86 -0.14 0.00 0.00 0.00 0.00 51.96 49.96 1bw3 s ALA 50 Cb 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 22.10 1bw3 s ALA 50 CO 0.00 -0.16 0.39 0.12 0.00 0.00 0.00 175.76 176.11 1bw3 s PHE 51 N -2.45 3.72 0.32 0.00 5.36 0.83 -4.82 117.98 120.94 1bw3 s PHE 51 Ca 0.45 0.96 -0.18 0.00 -0.96 0.00 0.00 56.93 57.20 1bw3 s PHE 51 Cb -0.03 -2.26 0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1bw3 s PHE 51 CO 0.27 0.65 0.72 0.00 -1.46 0.00 0.00 175.22 175.40 1bw3 n GLY 53 N -0.48 1.20 0.28 0.00 0.00 -1.26 -4.78 105.19 100.15 1bw3 n GLY 53 Ca -0.05 -1.96 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 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 0.71 -6.23 1.61 0.13 -2.02 -3.43 132.00 122.77 1bw3 h PRO 54 Ca 0.00 -0.17 -0.58 0.00 -0.87 0.00 0.00 66.00 64.38 1bw3 h PRO 54 Cb 0.00 -0.09 -0.20 0.00 0.13 0.00 0.00 31.00 30.84 1bw3 h PRO 54 CO 0.00 0.71 -0.81 0.00 -0.23 0.00 0.00 178.00 177.67 1bw3 s ALA 55 N -5.02 2.08 0.00 -0.56 0.00 -1.26 -5.05 121.76 111.94 1bw3 s ALA 55 Ca -0.09 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1bw3 s ALA 55 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1bw3 s ALA 55 CO 0.79 0.34 0.00 0.41 0.00 0.00 0.00 175.76 177.31 1bw3 n GLY 56 N 0.60 0.83 3.53 0.00 0.00 -1.26 -4.51 105.19 104.38 1bw3 n GLY 56 Ca -0.16 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 3.18 -0.18 1.61 0.05 -1.26 -4.95 135.00 133.45 1bw3 s PRO 57 Ca 0.00 -0.38 -0.03 0.00 0.05 0.00 0.00 61.00 60.64 1bw3 s PRO 57 Cb 0.00 -4.22 0.06 0.00 0.05 0.00 0.00 34.50 30.39 1bw3 s PRO 57 CO 0.00 -2.09 0.04 0.50 0.05 0.00 0.00 177.00 175.51 1bw3 s ARG 58 N 5.39 0.55 0.00 4.56 6.06 -1.26 -4.90 118.95 129.35 1bw3 s ARG 58 Ca 0.33 -0.34 0.00 0.00 -2.50 0.00 0.00 55.73 53.21 1bw3 s ARG 58 Cb -0.10 -2.02 0.00 0.00 0.06 0.00 0.00 34.95 32.90 1bw3 s ARG 58 CO 0.13 -0.63 0.00 0.41 -2.50 0.00 0.00 175.30 172.71 1bw3 n GLY 59 N 5.09 1.13 0.04 8.12 0.00 -1.26 -4.95 105.19 113.36 1bw3 n GLY 59 Ca -0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.02 -3.40 115.11 115.50 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 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1bw3 n ALA 61 N -2.95 1.00 -0.14 3.87 0.00 -1.26 -0.79 120.51 120.24 1bw3 n ALA 61 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1bw3 n ALA 61 Cb 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.25 1.79 0.23 0.00 0.00 -1.26 -4.79 120.51 116.24 1bw3 n ALA 62 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1bw3 n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.08 0.64 3.48 0.00 0.00 -1.26 -4.97 105.19 104.15 1bw3 n GLY 64 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 1.73 0.47 1.61 1.02 -0.86 -4.86 119.74 118.84 1bw3 s LYS 65 Ca 0.00 -1.98 0.04 0.00 0.02 0.00 0.00 55.97 54.05 1bw3 s LYS 65 Cb 0.00 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.35 1bw3 s LYS 65 CO 0.00 -0.22 0.01 0.00 -0.92 0.00 0.00 175.35 174.22 1bw3 s LEU 67 N -3.81 1.45 -0.03 0.00 0.20 0.14 0.29 118.68 116.92 1bw3 s LEU 67 Ca 0.19 -0.50 -0.19 0.00 0.69 0.00 0.00 54.13 54.33 1bw3 s LEU 67 Cb 0.05 -0.92 -0.05 0.00 -0.43 0.00 0.00 46.19 44.84 1bw3 s LEU 67 CO 0.10 -0.14 0.52 -0.60 -0.29 0.00 0.00 176.35 175.93 1bw3 s ARG 68 N 1.64 4.23 0.05 1.98 3.52 -0.24 -0.52 118.95 129.62 1bw3 s ARG 68 Ca 0.03 0.58 0.07 0.00 -0.13 0.00 0.00 55.73 56.28 1bw3 s ARG 68 Cb -0.14 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1bw3 s ARG 68 CO -0.08 0.39 -0.17 0.08 -0.81 0.00 0.00 175.30 174.71 1bw3 s VAL 69 N -0.20 2.86 0.01 7.11 1.01 0.63 -0.15 120.40 131.67 1bw3 s VAL 69 Ca 0.28 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 1bw3 s VAL 69 Cb -0.17 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 1bw3 s VAL 69 CO 0.14 0.30 0.10 -0.89 0.00 0.00 0.00 175.10 174.75 1bw3 s THR 70 N -0.97 0.09 -0.09 3.92 2.01 0.07 -1.10 115.64 119.57 1bw3 s THR 70 Ca 0.15 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1bw3 s THR 70 Cb -0.11 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1bw3 s THR 70 CO 0.06 -0.40 -0.16 0.21 -0.69 0.00 0.00 174.62 173.64 1bw3 s ASN 71 N -1.39 3.82 0.00 3.53 2.47 1.00 -1.62 114.94 122.75 1bw3 s ASN 71 Ca -0.15 -0.32 0.00 0.00 0.42 0.00 0.00 52.86 52.81 1bw3 s ASN 71 Cb -0.08 -1.20 0.00 0.00 -1.45 0.00 0.00 41.25 38.52 1bw3 s ASN 71 CO 0.01 0.24 0.24 -2.65 -3.72 0.00 0.00 177.10 171.23 1bw3 n PRO 72 N 2.98 0.00 -0.09 0.43 -0.02 -1.26 -1.47 135.00 135.57 1bw3 n PRO 72 Ca -0.18 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1bw3 n PRO 72 Cb 0.52 -0.76 0.02 0.00 -0.02 0.00 0.00 33.50 33.26 1bw3 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw3 n ALA 73 N -0.57 -0.00 0.33 3.55 0.00 -1.26 0.79 120.51 123.34 1bw3 n ALA 73 Ca 0.00 0.25 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1bw3 n ALA 73 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 -4.37 0.26 -0.91 0.00 -2.24 -1.26 -4.95 114.28 100.80 1bw3 n THR 74 Ca 0.03 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1bw3 n THR 74 Cb 0.11 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 1.30 0.33 3.82 3.38 0.00 0.24 -4.97 105.19 109.28 1bw3 n GLY 75 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.84 2.98 0.08 4.61 0.00 -1.23 -4.75 121.76 121.61 1bw3 s ALA 76 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 1bw3 s ALA 76 Cb 0.00 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1bw3 s ALA 76 CO 0.00 -0.21 0.24 1.14 0.00 0.00 0.00 175.76 176.93 1bw3 s GLN 77 N -3.62 0.85 0.28 0.00 -2.07 -1.26 -0.00 119.66 113.84 1bw3 s GLN 77 Ca 0.62 -0.81 -0.12 0.00 -1.82 0.00 0.00 55.36 53.24 1bw3 s GLN 77 Cb -0.12 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1bw3 s GLN 77 CO 0.24 -0.28 0.51 -1.50 -1.32 0.00 0.00 175.29 172.94 1bw3 s ILE 78 N -3.47 0.00 -0.12 3.63 1.10 -0.26 -4.98 121.20 117.11 1bw3 s ILE 78 Ca 0.02 -1.39 0.01 0.00 -0.51 0.00 0.00 60.65 58.77 1bw3 s ILE 78 Cb 0.03 -2.33 0.02 0.00 0.15 0.00 0.00 42.46 40.33 1bw3 s ILE 78 CO -0.09 0.00 -0.12 -0.89 -2.11 0.00 0.00 174.94 171.73 1bw3 s THR 79 N -3.70 1.33 0.46 4.00 2.01 -1.26 -0.26 115.64 118.21 1bw3 s THR 79 Ca 0.23 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.79 1bw3 s THR 79 Cb -0.01 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 1bw3 s THR 79 CO 0.11 0.41 0.32 0.00 -0.69 0.00 0.00 174.62 174.78 1bw3 s ALA 80 N 1.37 4.03 0.02 7.40 0.00 0.32 -4.25 121.76 130.65 1bw3 s ALA 80 Ca 0.01 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.22 1bw3 s ALA 80 Cb -0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1bw3 s ALA 80 CO -0.06 -0.28 0.04 0.50 0.00 0.00 0.00 175.76 175.96 1bw3 s ARG 81 N -4.11 2.88 -1.24 0.00 3.52 0.62 -0.69 118.95 119.94 1bw3 s ARG 81 Ca 0.41 -0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 55.29 1bw3 s ARG 81 Cb -0.01 -2.74 0.17 0.00 -1.56 0.00 0.00 34.95 30.81 1bw3 s ARG 81 CO 0.24 0.62 1.60 -0.89 -0.81 0.00 0.00 175.30 176.06 1bw3 n ILE 82 N 1.08 4.27 -0.10 4.11 5.41 -0.93 -1.60 119.36 131.61 1bw3 n ILE 82 Ca -0.13 -4.59 -0.13 0.00 1.00 0.00 0.00 62.75 58.91 1bw3 n ILE 82 Cb 0.52 -2.43 -0.12 0.00 -0.71 0.00 0.00 39.64 36.90 1bw3 n ILE 82 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1bw3 n VAL 83 N 4.22 1.28 -4.49 1.39 0.24 -0.99 -4.53 118.33 115.45 1bw3 n VAL 83 Ca 0.38 -0.63 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 1bw3 n VAL 83 Cb 0.41 -0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 31.79 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bw3 n ASP 84 N -2.94 3.19 -3.98 -1.34 2.03 -0.93 -1.86 116.55 110.72 1bw3 n ASP 84 Ca -0.35 -3.09 -0.26 0.00 0.52 0.00 0.00 54.79 51.61 1bw3 n ASP 84 Cb 1.01 0.23 -0.17 0.00 -0.72 0.00 0.00 41.12 41.47 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 -3.92 1.67 -0.60 -0.67 0.74 -1.26 -0.12 119.66 115.50 1bw3 s GLN 85 Ca 0.09 -0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.12 1bw3 s GLN 85 Cb -0.01 -1.51 0.15 0.00 1.10 0.00 0.00 33.01 32.75 1bw3 s GLN 85 CO 0.06 -0.10 0.40 0.00 -0.55 0.00 0.00 175.29 175.10 1bw3 n ALA 87 N 3.45 -0.10 -2.79 0.00 0.00 -1.26 -3.56 120.51 116.25 1bw3 n ALA 87 Ca 0.07 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 1bw3 n ALA 87 Cb 0.37 -0.01 0.07 0.00 0.00 0.00 0.00 19.45 19.88 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 -4.02 -1.48 0.00 0.00 6.94 -1.26 -4.96 115.26 110.49 1bw3 n ASN 88 Ca 0.00 -3.25 0.00 0.00 -0.02 0.00 0.00 54.58 51.31 1bw3 n ASN 88 Cb 0.04 1.15 0.00 0.00 -2.36 0.00 0.00 39.78 38.61 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 0.11 0.00 0.00 4.83 0.00 -1.23 -5.19 105.19 103.70 1bw3 n GLY 89 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.17 0.86 2.27 -0.02 0.00 -1.26 -4.79 105.19 103.42 1bw3 n GLY 90 Ca 0.00 -2.03 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 1bw3 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw3 n LEU 91 N 0.00 0.76 -3.70 0.99 4.32 -1.26 -4.73 117.00 113.37 1bw3 n LEU 91 Ca 0.00 -4.79 -0.16 0.00 -0.02 0.00 0.00 56.01 51.04 1bw3 n LEU 91 Cb 0.00 0.38 -0.16 0.00 -1.62 0.00 0.00 43.42 42.03 1bw3 n LEU 91 CO 0.00 2.04 -0.26 1.51 -1.22 0.00 0.00 177.39 179.46 1bw3 s ASP 92 N -1.27 0.44 0.00 -1.43 -4.77 -1.26 -4.74 116.67 103.64 1bw3 s ASP 92 Ca 0.35 0.26 0.00 0.00 -3.30 0.00 0.00 52.55 49.86 1bw3 s ASP 92 Cb 0.15 0.16 0.00 0.00 -1.09 0.00 0.00 42.92 42.13 1bw3 s ASP 92 CO -0.10 -0.20 0.00 0.18 0.70 0.00 0.00 175.17 175.74 1bw3 n LEU 93 N 4.83 0.00 -4.84 2.11 4.32 -1.26 -4.86 117.00 117.30 1bw3 n LEU 93 Ca -0.14 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.49 1bw3 n LEU 93 Cb 0.50 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 1bw3 n LEU 93 CO 0.11 0.00 0.26 -0.62 -1.22 0.00 0.00 177.39 175.92 1bw3 s ASP 94 N -0.01 6.86 0.00 -1.43 2.15 -1.26 -4.39 116.67 118.59 1bw3 s ASP 94 Ca 0.00 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1bw3 s ASP 94 Cb 0.00 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1bw3 s ASP 94 CO 0.00 0.10 0.00 1.87 -0.17 0.00 0.00 175.17 176.97 1bw3 n TRP 95 N 0.84 0.00 -3.17 -5.34 -0.00 -1.26 -0.01 117.44 108.50 1bw3 n TRP 95 Ca -0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.29 1bw3 n TRP 95 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.78 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 0.49 0.05 -0.20 5.87 8.00 -1.26 -4.67 116.55 124.83 1bw3 n ASP 96 Ca 0.00 -0.57 0.21 0.00 0.71 0.00 0.00 54.79 55.14 1bw3 n ASP 96 Cb 0.00 -0.71 0.32 0.00 -0.02 0.00 0.00 41.12 40.71 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bw3 n THR 97 N -2.44 0.00 -0.04 -3.53 -2.24 0.99 -1.67 114.28 105.35 1bw3 n THR 97 Ca -0.09 0.81 -0.02 0.00 -2.27 0.00 0.00 64.05 62.48 1bw3 n THR 97 Cb 0.28 -1.43 -0.01 0.00 -2.10 0.00 0.00 70.33 67.07 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 0.00 -0.46 2.28 2.07 -1.85 -3.41 116.25 114.88 1bw3 h VAL 98 Ca 0.37 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 67.44 1bw3 h VAL 98 Cb 1.94 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.61 1bw3 h VAL 98 CO -0.00 0.00 -0.36 0.15 0.02 0.00 0.00 177.57 177.38 1bw3 h PHE 99 N -0.54 -1.01 0.00 1.57 3.57 -1.64 -1.82 116.94 117.08 1bw3 h PHE 99 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1bw3 h PHE 99 Cb 0.25 0.51 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1bw3 h PHE 99 CO -0.11 -0.40 0.00 0.25 -2.23 0.00 0.00 178.31 175.82 1bw3 n THR 100 N -5.42 0.21 -0.09 4.41 -2.24 -1.10 -1.66 114.28 108.38 1bw3 n THR 100 Ca 0.02 0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1bw3 n THR 100 Cb 0.35 -1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 67.45 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 -1.05 0.78 0.03 -0.78 5.02 -0.69 -4.65 118.16 116.82 1bw3 n LYS 101 Ca 0.01 0.08 -0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1bw3 n LYS 101 Cb 0.01 -1.39 -0.08 0.00 -0.02 0.00 0.00 35.03 33.54 1bw3 n LYS 101 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1bw3 n ILE 102 N -2.93 1.19 -2.06 -0.18 -6.64 -0.88 -4.49 119.36 103.36 1bw3 n ILE 102 Ca -0.32 -0.69 -0.42 0.00 -1.77 0.00 0.00 62.75 59.55 1bw3 n ILE 102 Cb 0.91 -0.74 0.00 0.00 -1.44 0.00 0.00 39.64 38.37 1bw3 n ILE 102 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1bw3 n ASP 103 N -2.88 4.29 -0.67 7.28 -0.08 -0.67 -4.68 116.55 119.13 1bw3 n ASP 103 Ca -0.10 -2.87 0.01 0.00 -1.51 0.00 0.00 54.79 50.32 1bw3 n ASP 103 Cb 0.84 -1.69 0.06 0.00 2.34 0.00 0.00 41.12 42.67 1bw3 n ASP 103 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1bw3 n THR 104 N 5.57 0.41 -0.01 5.18 -2.24 -1.26 -3.64 114.28 118.29 1bw3 n THR 104 Ca 0.51 -0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 62.07 1bw3 n THR 104 Cb 0.42 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.07 3.47 0.00 3.42 6.94 -1.26 -5.06 115.26 122.85 1bw3 n ASN 105 Ca 0.04 -0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1bw3 n ASN 105 Cb 0.37 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw3 n GLY 106 N 3.38 2.97 0.35 4.83 0.00 -1.24 -4.90 105.19 110.58 1bw3 n GLY 106 Ca -0.02 -0.79 0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.20 0.12 -0.61 2.08 -1.26 0.12 119.36 119.61 1bw3 n ILE 107 Ca 0.00 1.38 -0.14 0.00 0.56 0.00 0.00 62.75 64.55 1bw3 n ILE 107 Cb 0.00 -2.26 -0.08 0.00 -0.75 0.00 0.00 39.64 36.55 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 -0.30 -0.82 7.39 0.00 -1.90 -3.04 103.07 104.40 1bw3 h GLY 108 Ca 0.66 0.11 0.15 0.00 0.00 0.00 0.00 47.33 48.26 1bw3 h GLY 108 CO -0.37 -0.11 -0.23 2.98 0.00 0.00 0.00 176.54 178.80 1bw3 n TYR 109 N -5.12 0.22 -0.07 5.60 4.19 0.12 -0.97 117.16 121.12 1bw3 n TYR 109 Ca -0.09 1.00 0.03 0.00 3.31 0.00 0.00 57.90 62.15 1bw3 n TYR 109 Cb 0.21 -0.93 0.06 0.00 0.49 0.00 0.00 39.34 39.17 1bw3 n TYR 109 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1bw3 n GLN 110 N -5.29 -0.02 -0.03 2.98 1.13 -1.15 -0.81 117.38 114.19 1bw3 n GLN 110 Ca 0.12 0.32 -0.03 0.00 -1.94 0.00 0.00 57.00 55.47 1bw3 n GLN 110 Cb 0.39 -0.51 -0.03 0.00 0.11 0.00 0.00 30.24 30.19 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 1.36 0.00 -1.09 6.02 -0.54 -5.04 117.38 114.02 1bw3 n GLN 111 Ca 0.05 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1bw3 n GLN 111 Cb 0.16 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.31 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 3.04 2.58 3.77 1.08 0.00 0.01 -4.88 105.19 110.78 1bw3 n GLY 112 Ca -0.09 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1bw3 n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bw3 s HIS 113 N -0.96 3.86 0.36 1.61 5.65 -1.25 -3.87 115.29 120.68 1bw3 s HIS 113 Ca 0.00 1.59 -0.02 0.00 0.25 0.00 0.00 55.06 56.89 1bw3 s HIS 113 Cb 0.00 -2.79 0.01 0.00 -1.18 0.00 0.00 32.58 28.62 1bw3 s HIS 113 CO 0.00 0.44 0.50 -0.11 -0.65 0.00 0.00 174.74 174.92 1bw3 n LEU 114 N 1.97 0.00 -4.53 8.88 7.94 -0.14 -4.88 117.00 126.24 1bw3 n LEU 114 Ca -0.05 -2.92 -0.34 0.00 -1.11 0.00 0.00 56.01 51.59 1bw3 n LEU 114 Cb 0.49 2.59 -0.11 0.00 0.53 0.00 0.00 43.42 46.92 1bw3 n LEU 114 CO 0.47 -0.67 -0.32 0.21 -1.11 0.00 0.00 177.39 175.97 1bw3 s ASN 115 N -3.22 5.03 0.30 1.96 2.47 -1.26 -1.36 114.94 118.85 1bw3 s ASN 115 Ca 0.30 -0.08 -0.03 0.00 0.42 0.00 0.00 52.86 53.47 1bw3 s ASN 115 Cb -0.01 -1.84 -0.01 0.00 -1.45 0.00 0.00 41.25 37.94 1bw3 s ASN 115 CO 0.21 0.16 0.39 0.68 -3.72 0.00 0.00 177.10 174.82 1bw3 s VAL 116 N 0.44 0.00 0.13 -5.21 -7.23 -1.25 -4.71 120.40 102.57 1bw3 s VAL 116 Ca -0.02 -1.69 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1bw3 s VAL 116 Cb -0.14 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1bw3 s VAL 116 CO 0.02 0.00 -0.16 0.20 -0.31 0.00 0.00 175.10 174.85 1bw3 s ASN 117 N -3.20 2.22 -0.04 4.85 0.01 -0.64 -0.45 114.94 117.69 1bw3 s ASN 117 Ca 0.32 -0.81 -0.09 0.00 -0.71 0.00 0.00 52.86 51.57 1bw3 s ASN 117 Cb 0.01 -0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.59 1bw3 s ASN 117 CO 0.18 -0.10 0.22 -0.72 -1.51 0.00 0.00 177.10 175.17 1bw3 s TYR 118 N -2.02 -0.14 -0.11 2.20 -0.85 -0.35 -0.75 117.35 115.32 1bw3 s TYR 118 Ca 0.10 0.31 -0.02 0.00 -0.52 0.00 0.00 57.07 56.94 1bw3 s TYR 118 Cb -0.06 0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.37 1bw3 s TYR 118 CO 0.04 -0.23 0.02 -0.65 -1.52 0.00 0.00 175.55 173.21 1bw3 s GLN 119 N -0.66 0.56 0.16 -3.49 -1.52 0.78 -1.80 119.66 113.69 1bw3 s GLN 119 Ca -0.08 -0.03 -0.33 0.00 -1.95 0.00 0.00 55.36 52.97 1bw3 s GLN 119 Cb -0.04 -1.30 -0.16 0.00 -0.22 0.00 0.00 33.01 31.28 1bw3 s GLN 119 CO 0.02 -0.41 1.17 1.19 -0.25 0.00 0.00 175.29 177.01 1bw3 n PHE 120 N 5.14 1.28 -4.16 0.91 3.01 -0.08 -1.08 117.46 122.48 1bw3 n PHE 120 Ca -0.07 0.69 -0.15 0.00 1.01 0.00 0.00 57.45 58.92 1bw3 n PHE 120 Cb 0.49 -2.28 -0.06 0.00 -0.01 0.00 0.00 39.48 37.62 1bw3 n PHE 120 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1bw3 s VAL 121 N -0.11 0.00 0.34 -4.37 1.01 0.14 -4.74 120.40 112.68 1bw3 s VAL 121 Ca 0.75 -1.78 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1bw3 s VAL 121 Cb -0.88 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 1bw3 s VAL 121 CO 0.52 0.00 0.66 -1.81 0.00 0.00 0.00 175.10 174.47 1bw3 s ASP 122 N -3.26 6.49 -0.13 3.32 1.11 -1.26 0.10 116.67 123.05 1bw3 s ASP 122 Ca 0.35 0.94 -0.08 0.00 0.18 0.00 0.00 52.55 53.93 1bw3 s ASP 122 Cb 0.02 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.74 1bw3 s ASP 122 CO 0.21 -0.29 -0.16 0.00 1.18 0.00 0.00 175.17 176.11 1bw3 n ARG 124 N -4.43 -1.77 0.00 0.00 0.63 -1.26 -5.09 116.66 104.74 1bw3 n ARG 124 Ca -0.06 0.43 0.14 0.00 -0.92 0.00 0.00 57.85 57.43 1bw3 n ARG 124 Cb 0.23 -3.80 0.54 0.00 0.45 0.00 0.00 32.46 29.88 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65