#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw4 s GLN 2 N 0.00 2.04 -0.02 3.49 -0.21 -1.26 -2.62 119.66 121.07 1bw4 s GLN 2 Ca 0.00 -0.49 0.03 0.00 0.02 0.00 0.00 55.36 54.92 1bw4 s GLN 2 Cb 0.00 -1.78 -0.01 0.00 1.00 0.00 0.00 33.01 32.22 1bw4 s GLN 2 CO 0.00 -0.10 -0.11 0.00 -2.12 0.00 0.00 175.29 172.96 1bw4 s ALA 3 N 1.09 0.99 0.46 6.09 0.00 -1.09 -5.07 121.76 124.23 1bw4 s ALA 3 Ca -0.05 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1bw4 s ALA 3 Cb -0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1bw4 s ALA 3 CO -0.03 0.22 0.06 0.27 0.00 0.00 0.00 175.76 176.28 1bw4 n ASN 4 N 2.96 2.54 -3.82 0.00 6.94 -1.26 -1.65 115.26 120.96 1bw4 n ASN 4 Ca -0.15 -3.16 -0.23 0.00 -0.02 0.00 0.00 54.58 51.02 1bw4 n ASN 4 Cb 0.55 0.61 -0.00 0.00 -2.36 0.00 0.00 39.78 38.58 1bw4 n ASN 4 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1bw4 n ASP 5 N -1.39 -1.56 -4.73 0.53 5.68 -1.23 -4.91 116.55 108.95 1bw4 n ASP 5 Ca -0.15 -0.68 -0.34 0.00 -0.50 0.00 0.00 54.79 53.12 1bw4 n ASP 5 Cb 0.62 -0.81 -0.08 0.00 -1.14 0.00 0.00 41.12 39.70 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1bw4 s VAL 6 N -4.13 4.53 -0.84 2.12 1.01 -0.44 -4.94 120.40 117.70 1bw4 s VAL 6 Ca 0.20 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 1bw4 s VAL 6 Cb -0.11 -2.97 0.07 0.00 0.00 0.00 0.00 36.38 33.37 1bw4 s VAL 6 CO 0.51 0.52 1.20 -0.13 0.00 0.00 0.00 175.10 177.20 1bw4 s ARG 7 N -1.17 3.38 -0.33 2.72 0.52 -1.26 -2.04 118.95 120.76 1bw4 s ARG 7 Ca 0.16 -1.02 -0.19 0.00 -0.52 0.00 0.00 55.73 54.17 1bw4 s ARG 7 Cb -0.12 -4.70 -0.01 0.00 0.52 0.00 0.00 34.95 30.65 1bw4 s ARG 7 CO 0.06 -1.98 0.55 0.00 0.02 0.00 0.00 175.30 173.95 1bw4 s ALA 8 N 4.33 3.49 -0.61 2.13 0.00 0.21 -4.89 121.76 126.42 1bw4 s ALA 8 Ca 0.34 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 1bw4 s ALA 8 Cb -0.07 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1bw4 s ALA 8 CO 0.01 -1.16 1.22 0.95 0.00 0.00 0.00 175.76 176.77 1bw4 s THR 9 N 2.48 3.95 -1.01 0.00 -4.23 -1.26 -1.32 115.64 114.24 1bw4 s THR 9 Ca 0.21 0.80 -0.23 0.00 -1.18 0.00 0.00 61.69 61.29 1bw4 s THR 9 Cb -0.15 -4.76 0.05 0.00 1.34 0.00 0.00 72.50 68.98 1bw4 s THR 9 CO 0.13 -1.44 1.45 -0.72 -0.54 0.00 0.00 174.62 173.50 1bw4 s TYR 10 N 5.15 2.51 -0.30 3.99 1.13 -1.25 -4.12 117.35 124.47 1bw4 s TYR 10 Ca 0.42 -0.80 0.01 0.00 -1.41 0.00 0.00 57.07 55.29 1bw4 s TYR 10 Cb -0.08 -4.69 0.07 0.00 -1.10 0.00 0.00 41.96 36.16 1bw4 s TYR 10 CO 0.23 -1.94 -0.03 -1.58 -2.51 0.00 0.00 175.55 169.73 1bw4 s HIS 11 N 5.06 3.37 -0.63 -3.49 2.46 0.56 -4.93 115.29 117.69 1bw4 s HIS 11 Ca 0.46 -2.29 -0.13 0.00 0.47 0.00 0.00 55.06 53.56 1bw4 s HIS 11 Cb -0.00 -2.24 0.16 0.00 -0.13 0.00 0.00 32.58 30.36 1bw4 s HIS 11 CO -0.09 -0.87 0.56 1.52 -2.47 0.00 0.00 174.74 173.39 1bw4 s TYR 12 N 1.12 3.46 0.67 3.88 1.13 -1.24 -2.55 117.35 123.82 1bw4 s TYR 12 Ca -0.03 -1.70 -0.15 0.00 -1.41 0.00 0.00 57.07 53.78 1bw4 s TYR 12 Cb -0.20 -3.72 0.00 0.00 -1.10 0.00 0.00 41.96 36.94 1bw4 s TYR 12 CO -0.04 -1.00 1.11 -0.47 -2.51 0.00 0.00 175.55 172.64 1bw4 s TYR 13 N 0.99 2.60 -1.15 -3.49 5.04 0.12 -4.66 117.35 116.80 1bw4 s TYR 13 Ca 0.09 1.55 -0.09 0.00 -2.44 0.00 0.00 57.07 56.18 1bw4 s TYR 13 Cb -0.22 -3.17 0.25 0.00 0.35 0.00 0.00 41.96 39.17 1bw4 s TYR 13 CO -0.02 -1.72 1.32 0.54 -1.34 0.00 0.00 175.55 174.33 1bw4 n ARG 14 N -2.50 3.70 -0.30 4.97 1.74 -1.26 -1.44 116.66 121.57 1bw4 n ARG 14 Ca 0.10 -4.27 0.24 0.00 -0.77 0.00 0.00 57.85 53.15 1bw4 n ARG 14 Cb 0.52 -2.68 0.55 0.00 -1.02 0.00 0.00 32.46 29.83 1bw4 n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1bw4 h PRO 15 N 6.44 0.32 -0.67 5.56 0.13 -1.82 0.11 132.00 142.07 1bw4 h PRO 15 Ca 0.23 -0.02 0.14 0.00 -0.87 0.00 0.00 66.00 65.49 1bw4 h PRO 15 Cb 0.80 -0.07 -0.12 0.00 0.13 0.00 0.00 31.00 31.74 1bw4 h PRO 15 CO 1.18 0.21 -0.01 0.00 -0.23 0.00 0.00 178.00 179.15 1bw4 h ALA 16 N 1.59 0.66 -0.46 -0.56 0.00 -1.92 -0.21 119.26 118.36 1bw4 h ALA 16 Ca 0.56 0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.79 1bw4 h ALA 16 Cb 1.54 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.62 1bw4 h ALA 16 CO -0.22 -0.40 -0.03 0.94 0.00 0.00 0.00 179.25 179.53 1bw4 n GLN 17 N -5.31 -0.04 -2.40 0.00 7.27 0.40 -0.33 117.38 116.96 1bw4 n GLN 17 Ca 0.11 0.70 -0.17 0.00 0.07 0.00 0.00 57.00 57.71 1bw4 n GLN 17 Cb 0.40 -1.08 0.02 0.00 2.41 0.00 0.00 30.24 31.99 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bw4 n ASN 18 N -4.59 3.59 -4.26 1.69 4.05 -1.09 -4.95 115.26 109.71 1bw4 n ASN 18 Ca 0.10 -3.17 -0.34 0.00 0.45 0.00 0.00 54.58 51.61 1bw4 n ASN 18 Cb 0.31 -0.42 -0.05 0.00 1.23 0.00 0.00 39.78 40.84 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bw4 n ASN 19 N -0.56 -1.36 -1.14 1.20 4.05 0.55 -0.29 115.26 117.71 1bw4 n ASN 19 Ca 0.29 -1.12 -0.07 0.00 0.45 0.00 0.00 54.58 54.13 1bw4 n ASN 19 Cb 0.85 -2.30 -0.03 0.00 1.23 0.00 0.00 39.78 39.52 1bw4 n ASN 19 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 1bw4 n TRP 20 N -4.36 -0.62 -1.46 1.20 7.02 -0.11 -4.73 117.44 114.37 1bw4 n TRP 20 Ca -0.09 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.12 1bw4 n TRP 20 Cb 0.57 -1.80 -0.07 0.00 -2.42 0.00 0.00 31.31 27.59 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw4 n ASP 21 N 0.27 6.75 -0.44 -0.99 2.03 0.60 -4.57 116.55 120.20 1bw4 n ASP 21 Ca -0.07 -2.95 0.40 0.00 0.52 0.00 0.00 54.79 52.69 1bw4 n ASP 21 Cb 0.23 -1.34 0.64 0.00 -0.72 0.00 0.00 41.12 39.93 1bw4 n ASP 21 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1bw4 h LEU 22 N 4.86 0.00 -1.23 -2.67 3.38 -1.85 0.30 115.31 118.10 1bw4 h LEU 22 Ca 0.46 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.69 1bw4 h LEU 22 Cb 0.78 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.42 1bw4 h LEU 22 CO 0.94 0.00 0.65 1.23 0.09 0.00 0.00 178.44 181.35 1bw4 h GLY 23 N 0.00 1.48 -6.49 0.83 0.00 -1.82 -2.20 103.07 94.87 1bw4 h GLY 23 Ca 0.69 -0.24 -0.78 0.00 0.00 0.00 0.00 47.33 47.00 1bw4 h GLY 23 CO -0.01 -0.18 0.80 0.00 0.00 0.00 0.00 176.54 177.16 1bw4 n ALA 24 N -2.41 -0.64 -0.19 3.60 0.00 0.10 -4.52 120.51 116.45 1bw4 n ALA 24 Ca 0.26 0.43 -0.05 0.00 0.00 0.00 0.00 53.44 54.08 1bw4 n ALA 24 Cb 0.84 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 1bw4 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw4 n PRO 25 N 4.78 -0.20 -0.52 0.00 -0.01 -1.26 -1.08 135.00 136.70 1bw4 n PRO 25 Ca 0.27 0.94 0.39 0.00 -0.01 0.00 0.00 63.50 65.09 1bw4 n PRO 25 Cb 0.07 -1.39 0.60 0.00 -0.01 0.00 0.00 33.50 32.78 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw4 n ALA 26 N -3.21 1.39 -0.06 3.55 0.00 -1.26 -2.06 120.51 118.86 1bw4 n ALA 26 Ca 0.01 0.49 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 1bw4 n ALA 26 Cb 0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 1bw4 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw4 n VAL 27 N -3.45 1.18 -2.81 0.00 0.31 -0.24 -5.07 118.33 108.25 1bw4 n VAL 27 Ca 0.33 0.03 -0.16 0.00 -0.01 0.00 0.00 64.34 64.53 1bw4 n VAL 27 Cb 1.48 -1.90 0.01 0.00 -0.91 0.00 0.00 33.84 32.52 1bw4 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw4 n SER 28 N -3.93 -2.60 -4.91 4.52 3.41 -0.59 -4.97 113.62 104.55 1bw4 n SER 28 Ca -0.20 -0.33 -0.27 0.00 -0.26 0.00 0.00 58.87 57.81 1bw4 n SER 28 Cb 0.50 -0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 s ALA 29 N -1.78 3.49 0.08 7.33 0.00 -1.24 -4.97 121.76 124.67 1bw4 s ALA 29 Ca 0.08 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 1bw4 s ALA 29 Cb -0.01 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1bw4 s ALA 29 CO 0.46 -0.13 0.87 0.98 0.00 0.00 0.00 175.76 177.94 1bw4 n TYR 30 N -1.78 -0.21 1.23 0.00 4.19 -1.26 -0.20 117.16 119.13 1bw4 n TYR 30 Ca -0.01 0.59 0.13 0.00 3.31 0.00 0.00 57.90 61.92 1bw4 n TYR 30 Cb 0.55 -0.49 0.31 0.00 0.49 0.00 0.00 39.34 40.20 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw4 h ALA 32 N 3.95 -0.32 -1.05 0.00 0.00 -0.88 0.69 119.26 121.65 1bw4 h ALA 32 Ca 0.00 0.16 0.30 0.00 0.00 0.00 0.00 54.91 55.37 1bw4 h ALA 32 Cb 0.59 1.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 1bw4 h ALA 32 CO 0.00 -0.85 0.81 1.15 0.00 0.00 0.00 179.25 180.36 1bw4 h THR 33 N -0.06 0.38 0.00 0.00 2.02 -1.78 0.19 112.91 113.66 1bw4 h THR 33 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1bw4 h THR 33 Cb 0.50 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1bw4 h THR 33 CO -0.90 0.00 -1.07 0.79 0.37 0.00 0.00 175.52 174.71 1bw4 n TRP 34 N -4.05 0.00 -0.09 3.16 8.01 0.28 -4.76 117.44 119.99 1bw4 n TRP 34 Ca 0.22 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.30 1bw4 n TRP 34 Cb 1.16 -0.09 -0.09 0.00 -2.01 0.00 0.00 31.31 30.27 1bw4 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw4 n ASP 35 N -1.58 2.27 0.33 -0.99 9.92 0.22 -4.39 116.55 122.32 1bw4 n ASP 35 Ca -0.01 -0.07 0.21 0.00 -0.53 0.00 0.00 54.79 54.39 1bw4 n ASP 35 Cb 0.12 0.00 1.15 0.00 -0.64 0.00 0.00 41.12 41.75 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw4 h ALA 36 N 0.18 1.12 -0.25 2.24 0.00 -0.79 0.35 119.26 122.11 1bw4 h ALA 36 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1bw4 h ALA 36 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1bw4 h ALA 36 CO -0.04 -0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 1bw4 n SER 37 N -3.22 1.57 -4.86 0.00 3.41 -1.26 -4.83 113.62 104.44 1bw4 n SER 37 Ca -0.03 -1.89 -0.34 0.00 -0.26 0.00 0.00 58.87 56.35 1bw4 n SER 37 Cb 0.09 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1bw4 n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bw4 s LYS 38 N -1.66 3.92 0.78 4.33 -0.14 0.12 -5.04 119.74 122.05 1bw4 s LYS 38 Ca 0.24 0.43 -0.15 0.00 -1.36 0.00 0.00 55.97 55.13 1bw4 s LYS 38 Cb 0.13 -2.79 0.04 0.00 -1.68 0.00 0.00 37.83 33.53 1bw4 s LYS 38 CO 0.18 0.39 1.00 -0.35 -0.76 0.00 0.00 175.35 175.81 1bw4 n PRO 39 N 0.37 0.30 -0.37 -1.68 -0.04 -1.26 -4.70 135.00 127.61 1bw4 n PRO 39 Ca -0.02 0.17 0.30 0.00 -0.04 0.00 0.00 63.50 63.91 1bw4 n PRO 39 Cb 0.52 -2.27 0.57 0.00 -0.04 0.00 0.00 33.50 32.28 1bw4 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw4 h LEU 40 N -0.64 0.37 0.00 1.53 3.38 -1.96 -3.01 115.31 114.98 1bw4 h LEU 40 Ca -0.46 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1bw4 h LEU 40 Cb 1.32 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1bw4 h LEU 40 CO 0.45 -0.21 0.00 -1.20 0.09 0.00 0.00 178.44 177.57 1bw4 n SER 41 N -4.94 0.00 -0.15 -0.43 7.64 -1.26 -1.32 113.62 113.16 1bw4 n SER 41 Ca 0.35 0.55 -0.10 0.00 1.01 0.00 0.00 58.87 60.68 1bw4 n SER 41 Cb 1.21 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 64.36 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1bw4 h TRP 42 N 0.00 0.81 -0.55 1.43 7.01 -1.91 0.86 115.95 123.60 1bw4 h TRP 42 Ca 0.00 -0.13 0.09 0.00 2.11 0.00 0.00 58.89 60.96 1bw4 h TRP 42 Cb 0.00 -0.21 -0.07 0.00 -2.10 0.00 0.00 29.16 26.77 1bw4 h TRP 42 CO -0.08 0.79 0.14 -0.09 -2.79 0.00 0.00 178.44 176.42 1bw4 h ARG 43 N 0.59 0.28 0.00 2.65 2.43 -1.52 -2.11 114.38 116.70 1bw4 h ARG 43 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1bw4 h ARG 43 Cb 0.46 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1bw4 h ARG 43 CO 0.02 0.19 -1.19 -1.13 -1.51 0.00 0.00 179.97 176.35 1bw4 n SER 44 N -5.08 0.69 -0.01 -3.80 3.41 -0.43 -4.35 113.62 104.04 1bw4 n SER 44 Ca 0.07 0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 1bw4 n SER 44 Cb 0.27 0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 64.87 1bw4 n SER 44 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1bw4 h LYS 45 N 0.00 0.05 -3.71 4.33 3.64 -0.43 -3.39 116.57 117.06 1bw4 h LYS 45 Ca 0.00 -0.02 -0.79 0.00 -1.27 0.00 0.00 60.65 58.57 1bw4 h LYS 45 Cb 0.99 -0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.54 1bw4 h LYS 45 CO 0.00 0.42 0.27 -0.47 -2.27 0.00 0.00 179.45 177.40 1bw4 s TYR 46 N -4.66 4.01 -0.38 1.91 6.14 -0.83 -5.01 117.35 118.53 1bw4 s TYR 46 Ca -0.15 -2.33 -0.40 0.00 0.64 0.00 0.00 57.07 54.83 1bw4 s TYR 46 Cb 0.03 -3.83 -0.17 0.00 0.42 0.00 0.00 41.96 38.41 1bw4 s TYR 46 CO 0.68 -0.97 1.32 0.41 0.64 0.00 0.00 175.55 177.63 1bw4 n GLY 47 N 3.36 0.11 1.41 8.97 0.00 -1.26 -4.24 105.19 113.54 1bw4 n GLY 47 Ca 0.19 0.84 -0.08 0.00 0.00 0.00 0.00 46.02 46.97 1bw4 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw4 n TRP 48 N 3.18 -2.16 -3.54 1.61 2.14 -1.26 0.65 117.44 118.06 1bw4 n TRP 48 Ca 0.26 -0.80 -0.11 0.00 2.07 0.00 0.00 57.50 58.92 1bw4 n TRP 48 Cb -0.04 -0.19 -0.10 0.00 -0.81 0.00 0.00 31.31 30.18 1bw4 n TRP 48 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1bw4 s THR 49 N -0.56 -0.55 -0.30 -1.67 -1.32 0.88 -3.93 115.64 108.19 1bw4 s THR 49 Ca 0.18 0.09 -0.28 0.00 -1.21 0.00 0.00 61.69 60.48 1bw4 s THR 49 Cb -0.01 -0.66 0.01 0.00 -1.51 0.00 0.00 72.50 70.32 1bw4 s THR 49 CO 0.12 -0.00 1.00 0.00 -2.21 0.00 0.00 174.62 173.53 1bw4 s ALA 50 N 2.52 3.54 0.10 11.08 0.00 -1.23 -2.12 121.76 135.66 1bw4 s ALA 50 Ca 0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 1bw4 s ALA 50 Cb -0.13 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 1bw4 s ALA 50 CO -0.13 -1.33 0.54 -0.59 0.00 0.00 0.00 175.76 174.25 1bw4 s PHE 51 N 3.41 3.69 -0.47 0.00 -0.12 0.26 -0.07 117.98 124.67 1bw4 s PHE 51 Ca 0.42 1.12 0.06 0.00 -0.05 0.00 0.00 56.93 58.49 1bw4 s PHE 51 Cb -0.13 -2.40 0.29 0.00 -0.63 0.00 0.00 43.02 40.15 1bw4 s PHE 51 CO 0.13 0.51 1.04 0.00 -0.05 0.00 0.00 175.22 176.85 1bw4 s GLY 53 N -1.42 1.56 0.08 0.00 0.00 -1.26 -2.10 107.32 104.17 1bw4 s GLY 53 Ca 0.25 -1.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 1bw4 s GLY 53 CO -0.12 -1.77 1.46 -0.56 0.00 0.00 0.00 173.10 172.11 1bw4 h PRO 54 N 2.63 -0.69 -5.85 2.90 0.13 -2.00 -3.42 132.00 125.70 1bw4 h PRO 54 Ca -0.40 0.05 -0.68 0.00 -0.87 0.00 0.00 66.00 64.10 1bw4 h PRO 54 Cb 1.23 0.16 -0.12 0.00 0.13 0.00 0.00 31.00 32.39 1bw4 h PRO 54 CO 0.59 -0.46 -0.57 0.00 -0.23 0.00 0.00 178.00 177.33 1bw4 s ALA 55 N -5.36 3.50 0.00 -0.56 0.00 -1.26 -4.93 121.76 113.15 1bw4 s ALA 55 Ca -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1bw4 s ALA 55 Cb 0.04 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1bw4 s ALA 55 CO 0.50 0.60 0.00 0.41 0.00 0.00 0.00 175.76 177.27 1bw4 n GLY 56 N 2.08 0.05 3.55 0.00 0.00 -1.26 -4.92 105.19 104.69 1bw4 n GLY 56 Ca -0.19 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 1bw4 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw4 s PRO 57 N 0.00 2.82 0.32 1.61 0.04 -1.26 -4.89 135.00 133.64 1bw4 s PRO 57 Ca 0.00 0.30 -0.01 0.00 0.04 0.00 0.00 61.00 61.33 1bw4 s PRO 57 Cb 0.00 -4.33 0.01 0.00 0.04 0.00 0.00 34.50 30.22 1bw4 s PRO 57 CO 0.00 -2.54 0.43 -2.13 0.04 0.00 0.00 177.00 172.80 1bw4 n ARG 58 N 9.25 0.62 0.00 4.56 0.00 -1.26 -4.85 116.66 124.98 1bw4 n ARG 58 Ca 0.15 -2.57 0.00 0.00 -0.00 0.00 0.00 57.85 55.43 1bw4 n ARG 58 Cb 0.51 2.45 0.00 0.00 0.00 0.00 0.00 32.46 35.42 1bw4 n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bw4 n GLY 59 N -0.53 1.24 0.00 5.14 0.00 -1.26 -5.06 105.19 104.73 1bw4 n GLY 59 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bw4 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw4 n GLN 60 N 0.00 0.00 -1.83 1.61 6.02 -1.26 -4.69 117.38 117.23 1bw4 n GLN 60 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1bw4 n GLN 60 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1bw4 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 n ALA 61 N -3.00 6.73 0.69 -1.58 0.00 -1.26 -4.32 120.51 117.77 1bw4 n ALA 61 Ca 0.00 -3.76 0.07 0.00 0.00 0.00 0.00 53.44 49.75 1bw4 n ALA 61 Cb 0.00 -2.61 -0.07 0.00 0.00 0.00 0.00 19.45 16.78 1bw4 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n ALA 62 N 1.53 3.74 -1.33 0.00 0.00 -1.26 -4.68 120.51 118.51 1bw4 n ALA 62 Ca 0.59 -0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 1bw4 n ALA 62 Cb 0.34 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 1bw4 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n GLY 64 N 3.07 0.25 3.80 0.00 0.00 -1.26 -5.06 105.19 105.98 1bw4 n GLY 64 Ca 0.69 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.46 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw4 s LYS 65 N 0.00 2.27 0.17 1.61 3.01 -0.48 -4.60 119.74 121.71 1bw4 s LYS 65 Ca 0.00 -1.90 0.10 0.00 -1.01 0.00 0.00 55.97 53.16 1bw4 s LYS 65 Cb 0.00 -2.01 -0.04 0.00 -1.01 0.00 0.00 37.83 34.76 1bw4 s LYS 65 CO 0.00 -0.27 -0.20 0.00 0.51 0.00 0.00 175.35 175.39 1bw4 s LEU 67 N -2.56 3.01 -0.23 0.00 0.20 0.12 -1.92 118.68 117.30 1bw4 s LEU 67 Ca 0.20 -0.17 -0.11 0.00 0.69 0.00 0.00 54.13 54.75 1bw4 s LEU 67 Cb -0.09 -1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 43.95 1bw4 s LEU 67 CO 0.11 0.24 0.18 -0.60 -0.29 0.00 0.00 176.35 175.99 1bw4 s ARG 68 N -0.08 4.10 -0.11 1.98 3.52 0.43 -0.71 118.95 128.08 1bw4 s ARG 68 Ca -0.00 -0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.41 1bw4 s ARG 68 Cb -0.13 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 1bw4 s ARG 68 CO 0.03 0.09 -0.18 0.08 -0.81 0.00 0.00 175.30 174.50 1bw4 s VAL 69 N 0.98 2.58 -0.02 7.11 1.01 -0.61 -0.58 120.40 130.87 1bw4 s VAL 69 Ca 0.09 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1bw4 s VAL 69 Cb -0.13 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1bw4 s VAL 69 CO 0.04 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.59 1bw4 s THR 70 N 0.25 1.58 -0.62 3.92 2.01 0.04 -1.25 115.64 121.57 1bw4 s THR 70 Ca -0.13 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.04 1bw4 s THR 70 Cb -0.16 -1.31 0.16 0.00 0.01 0.00 0.00 72.50 71.19 1bw4 s THR 70 CO 0.07 0.45 0.41 0.21 -0.69 0.00 0.00 174.62 175.06 1bw4 s ASN 71 N -0.46 4.84 0.28 3.53 2.47 -0.02 -1.57 114.94 124.02 1bw4 s ASN 71 Ca 0.07 -3.20 -0.06 0.00 0.42 0.00 0.00 52.86 50.10 1bw4 s ASN 71 Cb -0.08 -1.73 0.52 0.00 -1.45 0.00 0.00 41.25 38.52 1bw4 s ASN 71 CO -0.01 -0.24 1.57 -0.65 -3.72 0.00 0.00 177.10 174.06 1bw4 h PRO 72 N 6.40 0.01 -0.90 0.43 0.11 -1.86 0.19 132.00 136.38 1bw4 h PRO 72 Ca 0.00 -0.00 0.37 0.00 0.11 0.00 0.00 66.00 66.48 1bw4 h PRO 72 Cb 0.88 -0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.82 1bw4 h PRO 72 CO 0.72 0.00 0.46 0.00 -0.21 0.00 0.00 178.00 178.97 1bw4 n ALA 73 N -3.44 0.90 -0.04 -0.75 0.00 -1.26 -2.48 120.51 113.44 1bw4 n ALA 73 Ca 0.17 0.92 -0.05 0.00 0.00 0.00 0.00 53.44 54.48 1bw4 n ALA 73 Cb 0.56 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1bw4 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw4 n THR 74 N -5.04 0.46 0.00 0.00 -2.24 0.25 -5.01 114.28 102.69 1bw4 n THR 74 Ca 0.33 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1bw4 n THR 74 Cb 1.13 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1bw4 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw4 n GLY 75 N 3.00 0.50 3.78 3.38 0.00 0.42 -5.07 105.19 111.19 1bw4 n GLY 75 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1bw4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 76 N -2.00 3.07 -0.02 4.61 0.00 -1.25 -4.77 121.76 121.41 1bw4 s ALA 76 Ca 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 1bw4 s ALA 76 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1bw4 s ALA 76 CO 0.00 -0.34 0.04 -1.14 0.00 0.00 0.00 175.76 174.31 1bw4 s GLN 77 N -2.51 0.03 0.24 0.00 -0.44 -1.26 -0.84 119.66 114.88 1bw4 s GLN 77 Ca 0.59 0.08 0.02 0.00 -2.50 0.00 0.00 55.36 53.55 1bw4 s GLN 77 Cb -0.24 -0.03 -0.05 0.00 -1.64 0.00 0.00 33.01 31.04 1bw4 s GLN 77 CO 0.30 -0.04 0.04 -1.50 0.50 0.00 0.00 175.29 174.59 1bw4 s ILE 78 N 0.22 0.83 -0.25 -2.34 1.10 -0.38 -4.99 121.20 115.38 1bw4 s ILE 78 Ca -0.02 -2.01 0.02 0.00 -0.51 0.00 0.00 60.65 58.13 1bw4 s ILE 78 Cb -0.03 -2.44 0.05 0.00 0.15 0.00 0.00 42.46 40.20 1bw4 s ILE 78 CO -0.01 -0.22 -0.10 -0.89 -2.11 0.00 0.00 174.94 171.61 1bw4 s THR 79 N -3.56 2.31 0.22 4.00 2.01 -1.26 -1.57 115.64 117.78 1bw4 s THR 79 Ca 0.31 -1.48 0.07 0.00 0.31 0.00 0.00 61.69 60.90 1bw4 s THR 79 Cb 0.07 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1bw4 s THR 79 CO 0.10 0.05 0.15 0.00 -0.69 0.00 0.00 174.62 174.23 1bw4 s ALA 80 N 1.16 3.53 -0.41 7.40 0.00 0.11 -4.72 121.76 128.83 1bw4 s ALA 80 Ca -0.06 -1.37 -0.24 0.00 0.00 0.00 0.00 51.96 50.29 1bw4 s ALA 80 Cb -0.19 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.68 1bw4 s ALA 80 CO -0.05 0.34 0.81 0.50 0.00 0.00 0.00 175.76 177.36 1bw4 s ARG 81 N -3.55 3.60 -0.04 0.00 6.06 0.21 0.13 118.95 125.35 1bw4 s ARG 81 Ca 0.32 0.14 -0.30 0.00 -2.50 0.00 0.00 55.73 53.39 1bw4 s ARG 81 Cb -0.08 -3.87 -0.06 0.00 0.06 0.00 0.00 34.95 31.00 1bw4 s ARG 81 CO 0.24 -1.00 1.60 0.42 -2.50 0.00 0.00 175.30 174.06 1bw4 s ILE 82 N 3.28 3.56 0.00 4.11 1.01 0.09 -0.08 121.20 133.17 1bw4 s ILE 82 Ca 0.32 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1bw4 s ILE 82 Cb -0.12 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1bw4 s ILE 82 CO 0.20 -0.05 0.00 0.55 0.00 0.00 0.00 174.94 175.64 1bw4 n VAL 83 N 5.28 0.00 -4.38 2.92 3.14 -0.90 -4.44 118.33 119.94 1bw4 n VAL 83 Ca 0.16 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.35 1bw4 n VAL 83 Cb 0.43 -0.47 -0.10 0.00 -1.06 0.00 0.00 33.84 32.63 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bw4 s ASP 84 N -3.98 1.77 -0.10 6.55 2.15 -1.18 -3.41 116.67 118.47 1bw4 s ASP 84 Ca 0.00 -1.46 0.03 0.00 0.43 0.00 0.00 52.55 51.55 1bw4 s ASP 84 Cb 0.00 0.19 0.01 0.00 -0.30 0.00 0.00 42.92 42.82 1bw4 s ASP 84 CO 0.00 -0.76 -0.18 -1.58 -0.17 0.00 0.00 175.17 172.48 1bw4 s GLN 85 N -3.91 2.45 0.15 4.34 -0.44 -1.26 0.89 119.66 121.87 1bw4 s GLN 85 Ca 0.35 -0.66 0.07 0.00 -2.50 0.00 0.00 55.36 52.62 1bw4 s GLN 85 Cb 0.07 -1.98 -0.04 0.00 -1.64 0.00 0.00 33.01 29.42 1bw4 s GLN 85 CO 0.15 0.03 -0.04 0.00 0.50 0.00 0.00 175.29 175.93 1bw4 n ALA 87 N 0.20 1.95 -1.86 0.00 0.00 -1.26 -4.55 120.51 115.00 1bw4 n ALA 87 Ca -0.11 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.31 1bw4 n ALA 87 Cb 0.54 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.10 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw4 n ASN 88 N -0.78 1.34 -4.70 0.00 6.94 -1.26 -5.06 115.26 111.74 1bw4 n ASN 88 Ca 0.00 -2.88 -0.33 0.00 -0.02 0.00 0.00 54.58 51.35 1bw4 n ASN 88 Cb 0.00 -0.39 -0.07 0.00 -2.36 0.00 0.00 39.78 36.96 1bw4 n ASN 88 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1bw4 s GLY 89 N -2.46 3.07 -0.42 4.83 0.00 -1.26 -5.08 107.32 106.01 1bw4 s GLY 89 Ca 0.30 -0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.94 1bw4 s GLY 89 CO -0.07 -2.17 0.93 0.61 0.00 0.00 0.00 173.10 172.39 1bw4 n GLY 90 N -1.27 2.04 0.00 0.20 0.00 -1.06 -4.86 105.19 100.24 1bw4 n GLY 90 Ca -0.20 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N 0.33 0.00 -3.77 0.99 7.94 -0.89 -0.32 117.00 121.26 1bw4 n LEU 91 Ca 0.15 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.96 1bw4 n LEU 91 Cb 0.68 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.57 1bw4 n LEU 91 CO 0.12 0.00 0.03 1.51 -1.11 0.00 0.00 177.39 177.94 1bw4 s ASP 92 N 0.00 -0.04 -0.67 1.96 1.47 -1.15 -1.55 116.67 116.69 1bw4 s ASP 92 Ca 0.00 -0.54 0.05 0.00 1.18 0.00 0.00 52.55 53.25 1bw4 s ASP 92 Cb 0.00 0.41 0.25 0.00 -0.34 0.00 0.00 42.92 43.24 1bw4 s ASP 92 CO 0.00 -0.81 0.78 0.00 0.68 0.00 0.00 175.17 175.82 1bw4 n LEU 93 N -0.15 3.91 0.00 2.11 -0.00 0.90 0.12 117.00 123.88 1bw4 n LEU 93 Ca -0.14 -5.43 0.00 0.00 -0.00 0.00 0.00 56.01 50.44 1bw4 n LEU 93 Cb 0.63 -0.71 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1bw4 n LEU 93 CO 0.20 2.03 0.00 -0.90 -0.00 0.00 0.00 177.39 178.72 1bw4 n ASP 94 N 0.91 0.00 0.00 1.45 5.75 -0.52 -3.54 116.55 120.59 1bw4 n ASP 94 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1bw4 n ASP 94 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1bw4 n TRP 95 N -0.46 0.00 0.00 2.11 -0.00 -1.19 -3.90 117.44 114.01 1bw4 n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1bw4 n TRP 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1bw4 n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw4 n ASP 96 N 1.39 0.68 -0.03 5.87 5.75 -1.26 -4.64 116.55 124.31 1bw4 n ASP 96 Ca 0.00 -0.24 -0.02 0.00 -0.01 0.00 0.00 54.79 54.51 1bw4 n ASP 96 Cb 0.00 0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 40.71 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bw4 n THR 97 N -0.69 0.71 0.00 2.12 -2.24 -1.25 -4.63 114.28 108.29 1bw4 n THR 97 Ca 0.00 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1bw4 n THR 97 Cb 0.00 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 1bw4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bw4 n VAL 98 N -3.43 0.00 0.00 2.28 0.31 -1.26 -4.56 118.33 111.67 1bw4 n VAL 98 Ca -0.04 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1bw4 n VAL 98 Cb 0.13 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw4 n PHE 99 N -1.68 0.00 -0.14 3.52 7.35 -1.26 -1.92 117.46 123.32 1bw4 n PHE 99 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 1bw4 n PHE 99 Cb 0.00 -0.21 0.18 0.00 0.35 0.00 0.00 39.48 39.80 1bw4 n PHE 99 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1bw4 n THR 100 N -1.13 -0.02 -0.13 -2.13 -1.04 -1.26 -0.85 114.28 107.72 1bw4 n THR 100 Ca 0.00 0.36 -0.25 0.00 -2.04 0.00 0.00 64.05 62.11 1bw4 n THR 100 Cb 0.00 -0.59 -0.11 0.00 -1.82 0.00 0.00 70.33 67.81 1bw4 n THR 100 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bw4 n LYS 101 N -2.62 0.61 0.21 -2.82 4.76 -1.23 -4.60 118.16 112.47 1bw4 n LYS 101 Ca 0.10 0.22 0.12 0.00 -2.87 0.00 0.00 58.31 55.88 1bw4 n LYS 101 Cb 0.42 -1.51 0.18 0.00 -1.84 0.00 0.00 35.03 32.29 1bw4 n LYS 101 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1bw4 h ILE 102 N -0.60 0.00 0.00 -0.18 3.07 -0.29 -3.37 117.51 116.14 1bw4 h ILE 102 Ca -0.65 -0.97 -0.60 0.00 1.55 0.00 0.00 64.86 64.19 1bw4 h ILE 102 Cb 1.73 1.95 0.02 0.00 -0.27 0.00 0.00 36.82 40.24 1bw4 h ILE 102 CO -0.29 0.00 3.24 -0.67 -1.05 0.00 0.00 178.15 179.38 1bw4 n ASP 103 N -3.03 8.25 -1.50 2.16 2.03 -0.34 -4.59 116.55 119.53 1bw4 n ASP 103 Ca 0.04 -2.55 -0.08 0.00 0.52 0.00 0.00 54.79 52.72 1bw4 n ASP 103 Cb 0.52 -1.54 0.12 0.00 -0.72 0.00 0.00 41.12 39.51 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw4 n THR 104 N 3.43 1.90 -0.06 5.18 -2.24 -1.26 -3.77 114.28 117.46 1bw4 n THR 104 Ca 0.74 -0.89 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1bw4 n THR 104 Cb 0.33 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1bw4 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw4 n ASN 105 N -0.15 0.96 0.00 3.42 6.94 -1.26 -5.06 115.26 120.11 1bw4 n ASN 105 Ca 0.25 0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.98 1bw4 n ASN 105 Cb 0.99 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw4 n GLY 106 N 2.18 2.83 0.15 4.83 0.00 -1.25 -4.92 105.19 109.01 1bw4 n GLY 106 Ca -0.25 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 1bw4 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw4 n ILE 107 N 0.00 -0.24 -0.33 -0.61 2.08 -1.26 -0.37 119.36 118.63 1bw4 n ILE 107 Ca 0.00 1.01 0.06 0.00 0.56 0.00 0.00 62.75 64.38 1bw4 n ILE 107 Cb 0.00 -1.26 0.14 0.00 -0.75 0.00 0.00 39.64 37.77 1bw4 n ILE 107 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bw4 n GLY 108 N -1.09 -1.53 0.37 7.39 0.00 -1.26 0.34 105.19 109.40 1bw4 n GLY 108 Ca 0.01 0.98 0.15 0.00 0.00 0.00 0.00 46.02 47.16 1bw4 n GLY 108 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1bw4 h TYR 109 N 0.00 0.31 0.00 1.61 5.03 -1.03 -1.71 116.97 121.18 1bw4 h TYR 109 Ca 0.46 0.01 -0.25 0.00 2.58 0.00 0.00 58.73 61.53 1bw4 h TYR 109 Cb 0.72 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.86 1bw4 h TYR 109 CO -0.69 0.13 -1.32 0.37 -1.32 0.00 0.00 178.16 175.33 1bw4 h GLN 110 N 0.28 0.00 0.00 1.82 5.75 -0.17 -3.46 115.11 119.33 1bw4 h GLN 110 Ca 0.29 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1bw4 h GLN 110 Cb 0.76 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1bw4 h GLN 110 CO -0.06 0.77 0.00 0.94 -2.65 0.00 0.00 178.83 177.82 1bw4 n GLN 111 N -3.21 3.49 -0.00 1.69 7.27 -0.64 -5.05 117.38 120.93 1bw4 n GLN 111 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1bw4 n GLN 111 Cb 0.99 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.63 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bw4 n GLY 112 N 5.00 0.38 3.68 1.69 0.00 -1.25 -4.99 105.19 109.70 1bw4 n GLY 112 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw4 s HIS 113 N -1.63 0.19 0.33 1.61 -3.43 -1.26 -3.88 115.29 107.22 1bw4 s HIS 113 Ca -0.00 -0.59 0.07 0.00 -0.80 0.00 0.00 55.06 53.74 1bw4 s HIS 113 Cb 0.01 0.37 -0.06 0.00 -1.43 0.00 0.00 32.58 31.47 1bw4 s HIS 113 CO 0.04 -1.10 -0.05 -1.17 -2.00 0.00 0.00 174.74 170.46 1bw4 s LEU 114 N -2.99 2.60 -0.64 5.38 2.96 -0.43 -4.59 118.68 120.96 1bw4 s LEU 114 Ca 0.19 -1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 52.70 1bw4 s LEU 114 Cb -0.03 -0.78 0.16 0.00 0.50 0.00 0.00 46.19 46.05 1bw4 s LEU 114 CO 0.09 -0.34 0.59 0.21 -1.32 0.00 0.00 176.35 175.58 1bw4 s ASN 115 N -3.55 6.38 0.35 3.68 2.47 -1.26 -0.62 114.94 122.39 1bw4 s ASN 115 Ca 0.32 -2.12 0.07 0.00 0.42 0.00 0.00 52.86 51.55 1bw4 s ASN 115 Cb 0.05 -2.20 -0.07 0.00 -1.45 0.00 0.00 41.25 37.58 1bw4 s ASN 115 CO 0.15 -0.75 -0.01 0.68 -3.72 0.00 0.00 177.10 173.45 1bw4 s VAL 116 N 1.07 1.75 -0.00 -5.21 -7.23 -0.86 -4.43 120.40 105.49 1bw4 s VAL 116 Ca 0.08 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1bw4 s VAL 116 Cb -0.23 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 1bw4 s VAL 116 CO -0.01 -0.10 -0.12 0.20 -0.31 0.00 0.00 175.10 174.75 1bw4 s ASN 117 N -3.57 1.38 0.00 4.85 0.01 -0.61 -1.33 114.94 115.67 1bw4 s ASN 117 Ca 0.34 -0.24 -0.05 0.00 -0.71 0.00 0.00 52.86 52.21 1bw4 s ASN 117 Cb 0.07 -0.14 -0.00 0.00 0.41 0.00 0.00 41.25 41.58 1bw4 s ASN 117 CO 0.16 0.13 0.08 -0.72 -1.51 0.00 0.00 177.10 175.24 1bw4 s TYR 118 N -0.34 0.08 0.01 2.20 -0.85 -0.66 -0.78 117.35 117.02 1bw4 s TYR 118 Ca 0.04 -0.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.43 1bw4 s TYR 118 Cb -0.05 -0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 1bw4 s TYR 118 CO -0.00 -0.22 -0.09 -0.65 -1.52 0.00 0.00 175.55 173.07 1bw4 s GLN 119 N -1.19 0.65 -0.01 -3.49 -1.52 0.25 -2.69 119.66 111.66 1bw4 s GLN 119 Ca -0.13 -0.46 -0.30 0.00 -1.95 0.00 0.00 55.36 52.52 1bw4 s GLN 119 Cb -0.07 -0.59 -0.04 0.00 -0.22 0.00 0.00 33.01 32.09 1bw4 s GLN 119 CO 0.01 0.15 1.24 -0.06 -0.25 0.00 0.00 175.29 176.38 1bw4 s PHE 120 N -0.55 3.19 0.04 0.91 0.40 -1.08 -0.43 117.98 120.47 1bw4 s PHE 120 Ca -0.00 1.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.52 1bw4 s PHE 120 Cb -0.05 -3.47 -0.02 0.00 0.51 0.00 0.00 43.02 39.99 1bw4 s PHE 120 CO 0.00 -1.53 -0.10 0.08 0.70 0.00 0.00 175.22 174.37 1bw4 s VAL 121 N 1.92 0.76 0.48 -0.44 1.01 -0.81 -4.88 120.40 118.44 1bw4 s VAL 121 Ca 0.58 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1bw4 s VAL 121 Cb -0.27 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1bw4 s VAL 121 CO 0.25 -0.19 0.75 -0.62 0.00 0.00 0.00 175.10 175.29 1bw4 s ASP 122 N -1.28 5.97 -0.05 3.32 2.15 -1.26 -1.73 116.67 123.78 1bw4 s ASP 122 Ca -0.04 0.62 0.08 0.00 0.43 0.00 0.00 52.55 53.64 1bw4 s ASP 122 Cb -0.08 -1.87 -0.24 0.00 -0.30 0.00 0.00 42.92 40.43 1bw4 s ASP 122 CO 0.01 -0.70 0.63 0.00 -0.17 0.00 0.00 175.17 174.94 1bw4 n ARG 124 N -3.15 -3.67 0.00 0.00 3.00 -1.26 -5.09 116.66 106.49 1bw4 n ARG 124 Ca -0.19 0.44 0.14 0.00 -0.00 0.00 0.00 57.85 58.25 1bw4 n ARG 124 Cb 1.05 -4.76 0.61 0.00 0.00 0.00 0.00 32.46 29.36 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16