#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 1.24 -0.02 3.49 0.74 -1.26 -1.02 119.66 122.83 1bw4 s GLN 2 Ca 0.00 -1.71 0.03 0.00 0.05 0.00 0.00 55.36 53.72 1bw4 s GLN 2 Cb 0.00 -2.64 -0.00 0.00 1.10 0.00 0.00 33.01 31.47 1bw4 s GLN 2 CO 0.00 -1.02 -0.09 0.00 -0.55 0.00 0.00 175.29 173.63 1bw4 s ALA 3 N 0.90 0.79 0.39 1.58 0.00 -1.08 -5.06 121.76 119.29 1bw4 s ALA 3 Ca 0.13 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1bw4 s ALA 3 Cb -0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1bw4 s ALA 3 CO -0.11 0.16 0.07 0.54 0.00 0.00 0.00 175.76 176.41 1bw4 s ASN 4 N 0.01 2.95 -1.12 0.00 2.20 -1.26 -1.23 114.94 116.48 1bw4 s ASN 4 Ca 0.00 -1.54 -0.04 0.00 -0.94 0.00 0.00 52.86 50.34 1bw4 s ASN 4 Cb -0.06 0.22 0.01 0.00 -2.00 0.00 0.00 41.25 39.41 1bw4 s ASN 4 CO 0.00 -0.76 0.07 0.47 -2.94 0.00 0.00 177.10 173.94 1bw4 n ASP 5 N -1.04 0.17 -4.68 3.54 8.00 -1.20 -4.85 116.55 116.47 1bw4 n ASP 5 Ca -0.07 -0.96 -0.38 0.00 0.71 0.00 0.00 54.79 54.10 1bw4 n ASP 5 Cb 0.66 -1.19 -0.07 0.00 -0.02 0.00 0.00 41.12 40.50 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw4 s VAL 6 N -4.02 5.24 -0.55 2.53 1.01 -0.64 -4.94 120.40 119.03 1bw4 s VAL 6 Ca 0.05 0.63 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 1bw4 s VAL 6 Cb -0.03 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1bw4 s VAL 6 CO 0.74 0.30 1.63 -0.60 0.00 0.00 0.00 175.10 177.16 1bw4 s ARG 7 N 1.06 3.06 0.28 2.72 6.06 -1.26 -2.72 118.95 128.15 1bw4 s ARG 7 Ca 0.18 0.63 0.07 0.00 -2.50 0.00 0.00 55.73 54.10 1bw4 s ARG 7 Cb -0.14 -4.23 -0.03 0.00 0.06 0.00 0.00 34.95 30.61 1bw4 s ARG 7 CO 0.07 -2.21 0.26 0.00 -2.50 0.00 0.00 175.30 170.92 1bw4 s ALA 8 N 7.23 3.75 0.15 6.12 0.00 -0.86 -5.02 121.76 133.13 1bw4 s ALA 8 Ca 0.61 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1bw4 s ALA 8 Cb -0.13 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1bw4 s ALA 8 CO 0.24 0.16 0.00 0.25 0.00 0.00 0.00 175.76 176.41 1bw4 n THR 9 N -1.30 0.00 -3.00 0.00 -2.24 -1.24 -2.51 114.28 103.99 1bw4 n THR 9 Ca -0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 1bw4 n THR 9 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1bw4 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw4 n TYR 10 N 0.00 -0.11 -4.28 4.78 0.18 -1.22 -3.24 117.16 113.27 1bw4 n TYR 10 Ca 0.00 -3.32 -0.24 0.00 1.88 0.00 0.00 57.90 56.22 1bw4 n TYR 10 Cb 0.00 -0.07 -0.17 0.00 -0.38 0.00 0.00 39.34 38.72 1bw4 n TYR 10 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1bw4 s HIS 11 N -2.13 1.20 -0.19 -3.48 2.46 -1.13 -4.87 115.29 107.15 1bw4 s HIS 11 Ca 0.34 -0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.42 1bw4 s HIS 11 Cb 0.37 -0.96 0.05 0.00 -0.13 0.00 0.00 32.58 31.90 1bw4 s HIS 11 CO -0.05 -0.30 -0.07 1.52 -2.47 0.00 0.00 174.74 173.36 1bw4 s TYR 12 N 1.02 2.15 0.38 3.88 -0.85 -1.25 -1.78 117.35 120.90 1bw4 s TYR 12 Ca -0.09 -1.45 -0.25 0.00 -0.52 0.00 0.00 57.07 54.76 1bw4 s TYR 12 Cb -0.15 -1.51 -0.09 0.00 0.38 0.00 0.00 41.96 40.60 1bw4 s TYR 12 CO -0.00 -0.71 1.13 -0.47 -1.52 0.00 0.00 175.55 173.98 1bw4 s TYR 13 N 1.48 3.19 -0.44 -3.49 5.04 0.98 -4.41 117.35 119.70 1bw4 s TYR 13 Ca -0.02 1.60 0.09 0.00 -2.44 0.00 0.00 57.07 56.30 1bw4 s TYR 13 Cb -0.16 -3.31 0.40 0.00 0.35 0.00 0.00 41.96 39.23 1bw4 s TYR 13 CO -0.08 -1.04 0.99 2.89 -1.34 0.00 0.00 175.55 176.97 1bw4 n ARG 14 N 0.19 2.57 -0.09 4.97 1.85 -1.26 0.02 116.66 124.90 1bw4 n ARG 14 Ca 0.04 -4.17 0.03 0.00 -1.00 0.00 0.00 57.85 52.74 1bw4 n ARG 14 Cb 0.47 -1.96 0.06 0.00 -1.05 0.00 0.00 32.46 29.98 1bw4 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1bw4 n PRO 15 N -0.24 -0.02 -0.52 2.89 -0.02 -1.26 -2.15 135.00 133.68 1bw4 n PRO 15 Ca 0.29 0.40 0.40 0.00 -2.02 0.00 0.00 63.50 62.57 1bw4 n PRO 15 Cb 0.63 -0.63 0.61 0.00 -0.02 0.00 0.00 33.50 34.10 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 n ALA 16 N -3.69 1.41 -0.32 3.55 0.00 -1.26 -1.90 120.51 118.30 1bw4 n ALA 16 Ca 0.05 0.49 0.13 0.00 0.00 0.00 0.00 53.44 54.11 1bw4 n ALA 16 Cb 0.17 -0.85 0.28 0.00 0.00 0.00 0.00 19.45 19.05 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bw4 h GLN 17 N 0.00 0.04 -2.38 0.00 -0.00 -1.86 0.14 115.11 111.06 1bw4 h GLN 17 Ca 0.70 -0.00 -0.70 0.00 -0.00 0.00 0.00 58.65 58.65 1bw4 h GLN 17 Cb 2.88 -0.01 -0.35 0.00 0.00 0.00 0.00 27.48 30.00 1bw4 h GLN 17 CO -0.01 0.03 0.12 -1.71 0.00 0.00 0.00 178.83 177.26 1bw4 n ASN 18 N -5.43 5.52 -2.87 -0.69 2.85 -0.80 -4.81 115.26 109.02 1bw4 n ASN 18 Ca 0.22 -3.59 -0.10 0.00 -0.11 0.00 0.00 54.58 51.00 1bw4 n ASN 18 Cb 0.72 -0.89 -0.02 0.00 1.24 0.00 0.00 39.78 40.83 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bw4 n ASN 19 N 0.34 -1.13 -3.48 1.20 2.85 0.48 -2.35 115.26 113.17 1bw4 n ASN 19 Ca 0.34 0.04 -0.17 0.00 -0.11 0.00 0.00 54.58 54.68 1bw4 n ASN 19 Cb 0.35 -1.07 -0.04 0.00 1.24 0.00 0.00 39.78 40.26 1bw4 n ASN 19 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1bw4 n TRP 20 N -2.71 -0.62 -2.49 1.20 2.14 -1.17 -4.77 117.44 109.02 1bw4 n TRP 20 Ca 0.03 0.24 -0.39 0.00 2.07 0.00 0.00 57.50 59.44 1bw4 n TRP 20 Cb 0.45 -1.34 -0.03 0.00 -0.81 0.00 0.00 31.31 29.58 1bw4 n TRP 20 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1bw4 s ASP 21 N -3.80 6.31 0.13 -0.67 2.15 -0.99 -4.79 116.67 115.01 1bw4 s ASP 21 Ca 0.05 -1.31 0.11 0.00 0.43 0.00 0.00 52.55 51.83 1bw4 s ASP 21 Cb -0.03 -2.57 0.43 0.00 -0.30 0.00 0.00 42.92 40.45 1bw4 s ASP 21 CO 0.48 -1.69 0.41 0.18 -0.17 0.00 0.00 175.17 174.38 1bw4 n LEU 22 N 9.59 0.03 -1.26 -1.34 4.77 -1.26 0.53 117.00 128.04 1bw4 n LEU 22 Ca 0.33 0.32 -0.04 0.00 -0.03 0.00 0.00 56.01 56.58 1bw4 n LEU 22 Cb 0.50 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1bw4 n LEU 22 CO 0.65 -0.33 0.70 0.61 -1.33 0.00 0.00 177.39 177.69 1bw4 n GLY 23 N -1.19 2.50 3.73 -0.72 0.00 -1.26 -2.16 105.19 106.09 1bw4 n GLY 23 Ca 0.11 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1bw4 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 24 N -0.55 3.43 0.07 4.61 0.00 0.19 -4.91 121.76 124.60 1bw4 s ALA 24 Ca 0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.86 1bw4 s ALA 24 Cb 0.08 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1bw4 s ALA 24 CO 0.01 -0.01 0.72 -2.30 0.00 0.00 0.00 175.76 174.18 1bw4 n PRO 25 N 3.59 -0.20 -0.37 0.00 -0.01 -1.26 -0.59 135.00 136.15 1bw4 n PRO 25 Ca -0.05 0.71 0.04 0.00 -0.01 0.00 0.00 63.50 64.19 1bw4 n PRO 25 Cb 0.51 -1.04 0.19 0.00 -0.01 0.00 0.00 33.50 33.15 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 -3.63 2.98 0.00 3.55 0.00 -1.26 -4.53 120.51 117.62 1bw4 n ALA 26 Ca 0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 53.44 52.57 1bw4 n ALA 26 Cb 0.12 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.38 0.67 -2.75 0.00 0.31 0.24 -5.08 118.33 112.10 1bw4 n VAL 27 Ca 0.13 0.24 -0.24 0.00 -0.01 0.00 0.00 64.34 64.47 1bw4 n VAL 27 Cb 0.61 -1.50 0.02 0.00 -0.91 0.00 0.00 33.84 32.06 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 -3.16 -4.08 -4.79 4.52 3.41 -0.92 -4.94 113.62 103.66 1bw4 n SER 28 Ca -0.02 -0.05 -0.37 0.00 -0.26 0.00 0.00 58.87 58.16 1bw4 n SER 28 Cb 0.08 -1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 62.83 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 -0.99 3.35 0.00 7.33 0.00 -1.23 -4.99 121.76 125.23 1bw4 s ALA 29 Ca 0.23 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1bw4 s ALA 29 Cb -0.02 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1bw4 s ALA 29 CO 0.53 0.26 0.25 0.66 0.00 0.00 0.00 175.76 177.46 1bw4 n TYR 30 N 0.86 0.00 0.92 0.00 4.01 -1.26 0.02 117.16 121.71 1bw4 n TYR 30 Ca -0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 1bw4 n TYR 30 Cb 0.50 -0.12 0.54 0.00 -0.31 0.00 0.00 39.34 39.95 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw4 n ALA 32 N -1.43 -0.59 0.03 0.00 0.00 0.10 0.19 120.51 118.81 1bw4 n ALA 32 Ca 0.08 0.78 0.20 0.00 0.00 0.00 0.00 53.44 54.50 1bw4 n ALA 32 Cb 0.25 -0.10 0.52 0.00 0.00 0.00 0.00 19.45 20.12 1bw4 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bw4 h THR 33 N 0.00 0.12 0.00 0.00 2.02 -1.75 0.37 112.91 113.67 1bw4 h THR 33 Ca 0.15 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.15 1bw4 h THR 33 Cb 0.38 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1bw4 h THR 33 CO -0.87 0.00 -1.66 0.79 0.37 0.00 0.00 175.52 174.15 1bw4 n TRP 34 N -3.24 0.00 -0.06 3.16 8.01 0.11 -4.79 117.44 120.62 1bw4 n TRP 34 Ca 0.12 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.28 1bw4 n TRP 34 Cb 1.03 -0.47 -0.15 0.00 -2.01 0.00 0.00 31.31 29.70 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 -2.41 0.39 0.00 -0.99 9.92 0.13 -4.52 116.55 119.06 1bw4 n ASP 35 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1bw4 n ASP 35 Cb 0.80 1.29 0.00 0.00 -0.64 0.00 0.00 41.12 42.57 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw4 n ALA 36 N -2.52 0.94 0.23 2.24 0.00 0.12 0.09 120.51 121.61 1bw4 n ALA 36 Ca -0.21 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.34 1bw4 n ALA 36 Cb 0.91 -0.82 0.04 0.00 0.00 0.00 0.00 19.45 19.58 1bw4 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw4 h SER 37 N 0.00 0.00 -3.31 0.00 4.64 -1.79 -3.47 113.55 109.62 1bw4 h SER 37 Ca 0.00 -0.06 -0.57 0.00 -0.47 0.00 0.00 61.79 60.69 1bw4 h SER 37 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 1bw4 h SER 37 CO 0.00 0.03 0.00 -0.54 -0.87 0.00 0.00 176.83 175.45 1bw4 s LYS 38 N -3.31 4.32 0.97 4.77 1.02 0.11 -5.06 119.74 122.57 1bw4 s LYS 38 Ca 0.01 0.77 -0.14 0.00 0.02 0.00 0.00 55.97 56.63 1bw4 s LYS 38 Cb 0.10 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1bw4 s LYS 38 CO 0.77 0.39 0.13 -0.35 -0.92 0.00 0.00 175.35 175.38 1bw4 n PRO 39 N 2.61 -0.33 0.14 -1.68 -0.04 -1.26 -4.76 135.00 129.68 1bw4 n PRO 39 Ca -0.07 -0.07 0.18 0.00 -0.04 0.00 0.00 63.50 63.51 1bw4 n PRO 39 Cb 0.51 -1.68 0.78 0.00 -0.04 0.00 0.00 33.50 33.07 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 -1.49 0.00 0.05 1.53 3.38 -1.97 -2.97 115.31 113.83 1bw4 h LEU 40 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1bw4 h LEU 40 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1bw4 h LEU 40 CO 0.32 0.00 -0.11 -1.28 0.09 0.00 0.00 178.44 177.47 1bw4 h SER 41 N 0.00 -0.31 -0.24 -0.43 0.87 -1.99 -0.79 113.55 110.66 1bw4 h SER 41 Ca 0.14 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 1bw4 h SER 41 Cb 0.72 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.72 1bw4 h SER 41 CO -0.00 -0.12 -0.34 -0.25 -0.53 0.00 0.00 176.83 175.59 1bw4 h TRP 42 N -0.17 -0.95 -0.89 2.24 7.01 -1.86 0.42 115.95 121.76 1bw4 h TRP 42 Ca -0.00 0.05 0.22 0.00 2.11 0.00 0.00 58.89 61.27 1bw4 h TRP 42 Cb 0.16 0.45 -0.16 0.00 -2.10 0.00 0.00 29.16 27.51 1bw4 h TRP 42 CO -0.26 -0.40 0.03 0.00 -2.79 0.00 0.00 178.44 175.01 1bw4 h ARG 43 N -0.35 0.07 0.00 2.65 3.08 -1.50 0.22 114.38 118.54 1bw4 h ARG 43 Ca 0.12 -0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.92 1bw4 h ARG 43 Cb 0.55 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1bw4 h ARG 43 CO -0.43 0.04 -1.39 0.66 -1.07 0.00 0.00 179.97 177.78 1bw4 h SER 44 N 0.07 0.00 0.09 7.04 4.64 -0.66 -3.38 113.55 121.34 1bw4 h SER 44 Ca 0.51 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1bw4 h SER 44 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1bw4 h SER 44 CO -0.80 0.93 -0.11 0.50 -0.87 0.00 0.00 176.83 176.49 1bw4 h LYS 45 N 0.00 -0.19 0.00 4.77 3.64 0.18 -3.48 116.57 121.49 1bw4 h LYS 45 Ca -0.17 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1bw4 h LYS 45 Cb 1.86 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.72 1bw4 h LYS 45 CO 0.09 -0.13 0.15 0.66 -2.27 0.00 0.00 179.45 177.96 1bw4 n TYR 46 N -2.96 -1.92 -2.43 1.91 4.01 -0.47 -4.92 117.16 110.39 1bw4 n TYR 46 Ca -0.02 -1.54 -0.05 0.00 -0.16 0.00 0.00 57.90 56.13 1bw4 n TYR 46 Cb 0.09 0.67 0.02 0.00 -0.31 0.00 0.00 39.34 39.82 1bw4 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bw4 n GLY 47 N -0.43 0.25 2.71 2.72 0.00 -1.26 -4.26 105.19 104.94 1bw4 n GLY 47 Ca -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 1bw4 n GLY 47 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bw4 n TRP 48 N -1.98 -2.17 -3.17 1.61 -0.00 0.48 -4.61 117.44 107.60 1bw4 n TRP 48 Ca -0.07 -1.00 0.04 0.00 -0.00 0.00 0.00 57.50 56.46 1bw4 n TRP 48 Cb 0.54 1.28 -0.01 0.00 -0.00 0.00 0.00 31.31 33.12 1bw4 n TRP 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1bw4 s THR 49 N 0.89 -1.00 -0.17 5.87 -4.23 0.28 -4.08 115.64 113.20 1bw4 s THR 49 Ca 0.27 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.48 1bw4 s THR 49 Cb 0.08 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.92 1bw4 s THR 49 CO -0.09 0.00 1.02 0.00 -0.54 0.00 0.00 174.62 175.02 1bw4 s ALA 50 N 2.86 3.56 0.10 3.99 0.00 -1.25 -2.35 121.76 128.68 1bw4 s ALA 50 Ca 0.20 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.35 1bw4 s ALA 50 Cb -0.15 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 1bw4 s ALA 50 CO -0.21 -0.84 0.38 0.12 0.00 0.00 0.00 175.76 175.21 1bw4 s PHE 51 N 2.65 3.53 -0.40 0.00 5.36 0.61 -0.79 117.98 128.93 1bw4 s PHE 51 Ca 0.46 0.67 0.06 0.00 -0.96 0.00 0.00 56.93 57.16 1bw4 s PHE 51 Cb -0.17 -2.08 0.22 0.00 -0.34 0.00 0.00 43.02 40.66 1bw4 s PHE 51 CO 0.12 0.48 0.46 0.00 -1.46 0.00 0.00 175.22 174.82 1bw4 s GLY 53 N -0.69 1.60 0.17 0.00 0.00 -1.26 -4.54 107.32 102.61 1bw4 s GLY 53 Ca 0.34 -1.79 -0.22 0.00 0.00 0.00 0.00 44.72 43.05 1bw4 s GLY 53 CO -0.15 -1.70 1.60 -0.56 0.00 0.00 0.00 173.10 172.30 1bw4 h PRO 54 N 2.44 -0.21 -6.45 2.90 0.13 -2.01 -3.42 132.00 125.38 1bw4 h PRO 54 Ca -0.39 0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.15 1bw4 h PRO 54 Cb 1.22 0.05 -0.22 0.00 0.13 0.00 0.00 31.00 32.19 1bw4 h PRO 54 CO 0.65 -0.14 -0.84 0.00 -0.23 0.00 0.00 178.00 177.44 1bw4 s ALA 55 N -6.03 2.03 0.00 -0.56 0.00 -1.26 -4.96 121.76 110.99 1bw4 s ALA 55 Ca -0.15 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1bw4 s ALA 55 Cb 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1bw4 s ALA 55 CO 0.68 0.43 0.00 0.41 0.00 0.00 0.00 175.76 177.28 1bw4 n GLY 56 N 1.00 0.46 3.51 0.00 0.00 -1.26 -4.46 105.19 104.44 1bw4 n GLY 56 Ca -0.19 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1bw4 n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw4 n PRO 57 N 0.00 0.27 -1.81 1.61 -0.04 -1.26 -3.67 135.00 130.10 1bw4 n PRO 57 Ca 0.00 -0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.05 1bw4 n PRO 57 Cb 0.00 -2.00 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 1bw4 n PRO 57 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1bw4 n ARG 58 N 8.63 3.91 0.00 0.54 3.00 -1.26 -4.97 116.66 126.51 1bw4 n ARG 58 Ca 0.59 -2.97 0.00 0.00 -0.00 0.00 0.00 57.85 55.47 1bw4 n ARG 58 Cb 0.16 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 29.80 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 2.81 0.52 0.29 5.14 0.00 -1.26 -0.02 105.19 112.67 1bw4 n GLY 59 Ca 0.62 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1bw4 n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bw4 h GLN 60 N 0.00 0.24 -0.71 1.61 4.20 -1.96 -0.12 115.11 118.37 1bw4 h GLN 60 Ca 0.00 -0.01 0.21 0.00 0.06 0.00 0.00 58.65 58.90 1bw4 h GLN 60 Cb 0.00 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1bw4 h GLN 60 CO 0.00 0.16 0.74 0.00 -0.67 0.00 0.00 178.83 179.06 1bw4 h ALA 61 N 1.70 2.51 0.26 3.87 0.00 -1.90 0.10 119.26 125.79 1bw4 h ALA 61 Ca 0.49 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 55.03 1bw4 h ALA 61 Cb 0.90 0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.79 1bw4 h ALA 61 CO -0.58 -1.10 -1.48 0.00 0.00 0.00 0.00 179.25 176.08 1bw4 h ALA 62 N 1.19 -0.17 -1.67 0.00 0.00 0.15 -3.44 119.26 115.33 1bw4 h ALA 62 Ca 0.34 -0.86 -0.62 0.00 0.00 0.00 0.00 54.91 53.77 1bw4 h ALA 62 Cb 1.80 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1bw4 h ALA 62 CO -0.00 0.69 1.47 0.00 0.00 0.00 0.00 179.25 181.40 1bw4 n GLY 64 N 6.05 1.35 4.01 0.00 0.00 -0.88 -5.04 105.19 110.68 1bw4 n GLY 64 Ca 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 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 2.80 0.30 1.61 -0.14 0.36 -4.79 119.74 119.88 1bw4 s LYS 65 Ca 0.00 -1.19 0.08 0.00 -1.36 0.00 0.00 55.97 53.50 1bw4 s LYS 65 Cb 0.00 -2.73 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1bw4 s LYS 65 CO 0.00 -0.32 0.20 0.00 -0.76 0.00 0.00 175.35 174.47 1bw4 s LEU 67 N -3.88 2.06 -0.39 0.00 0.20 0.40 -1.33 118.68 115.74 1bw4 s LEU 67 Ca 0.36 -0.56 -0.17 0.00 0.69 0.00 0.00 54.13 54.45 1bw4 s LEU 67 Cb -0.06 -1.38 0.01 0.00 -0.43 0.00 0.00 46.19 44.33 1bw4 s LEU 67 CO 0.25 0.12 0.47 -0.60 -0.29 0.00 0.00 176.35 176.29 1bw4 s ARG 68 N 0.54 3.32 -0.17 1.98 3.52 -0.13 0.31 118.95 128.32 1bw4 s ARG 68 Ca -0.14 -0.52 -0.05 0.00 -0.13 0.00 0.00 55.73 54.89 1bw4 s ARG 68 Cb -0.17 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.29 1bw4 s ARG 68 CO 0.05 -0.77 -0.00 0.08 -0.81 0.00 0.00 175.30 173.85 1bw4 s VAL 69 N 2.26 4.21 0.04 7.11 1.01 -0.44 -1.02 120.40 133.57 1bw4 s VAL 69 Ca 0.15 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.97 1bw4 s VAL 69 Cb -0.16 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1bw4 s VAL 69 CO 0.14 0.48 -0.25 -0.89 0.00 0.00 0.00 175.10 174.57 1bw4 s THR 70 N 0.39 2.05 -0.25 3.92 2.01 0.23 -0.26 115.64 123.73 1bw4 s THR 70 Ca -0.01 -1.35 -0.07 0.00 0.31 0.00 0.00 61.69 60.56 1bw4 s THR 70 Cb -0.14 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1bw4 s THR 70 CO 0.02 0.34 0.07 0.21 -0.69 0.00 0.00 174.62 174.57 1bw4 s ASN 71 N -1.22 5.18 0.18 3.53 3.84 0.64 -1.16 114.94 125.93 1bw4 s ASN 71 Ca 0.11 -0.19 -0.10 0.00 0.21 0.00 0.00 52.86 52.89 1bw4 s ASN 71 Cb -0.10 -1.93 0.08 0.00 -0.55 0.00 0.00 41.25 38.75 1bw4 s ASN 71 CO 0.02 -0.03 1.69 -0.65 -2.79 0.00 0.00 177.10 175.34 1bw4 h PRO 72 N 8.18 1.01 -0.26 0.43 0.11 -1.87 0.15 132.00 139.74 1bw4 h PRO 72 Ca -0.38 -0.24 -0.00 0.00 0.11 0.00 0.00 66.00 65.48 1bw4 h PRO 72 Cb 1.18 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1bw4 h PRO 72 CO 0.58 0.91 0.15 0.00 -0.21 0.00 0.00 178.00 179.43 1bw4 h ALA 73 N 1.05 0.34 0.00 -0.75 0.00 -1.95 -3.26 119.26 114.68 1bw4 h ALA 73 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bw4 h ALA 73 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bw4 h ALA 73 CO 0.00 -0.15 -1.55 0.25 0.00 0.00 0.00 179.25 177.81 1bw4 n THR 74 N -4.86 0.00 -0.85 0.00 -2.24 -1.23 -4.95 114.28 100.15 1bw4 n THR 74 Ca -0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1bw4 n THR 74 Cb 0.06 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.39 1.17 3.87 3.38 0.00 0.52 -5.01 105.19 110.51 1bw4 n GLY 75 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.80 2.88 -0.07 4.61 0.00 -1.23 -4.75 121.76 119.40 1bw4 s ALA 76 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.53 1bw4 s ALA 76 Cb 0.00 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.10 1bw4 s ALA 76 CO 0.00 -1.07 0.47 1.14 0.00 0.00 0.00 175.76 176.31 1bw4 s GLN 77 N -5.26 0.77 0.37 0.00 -2.07 -1.26 -0.26 119.66 111.94 1bw4 s GLN 77 Ca 0.57 0.17 0.06 0.00 -1.82 0.00 0.00 55.36 54.35 1bw4 s GLN 77 Cb -0.12 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 32.13 1bw4 s GLN 77 CO 0.53 -0.20 0.23 -1.50 -1.32 0.00 0.00 175.29 173.03 1bw4 s ILE 78 N -0.88 0.21 -0.28 3.63 2.07 0.63 -4.97 121.20 121.61 1bw4 s ILE 78 Ca -0.09 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.15 1bw4 s ILE 78 Cb -0.03 -2.41 0.05 0.00 0.13 0.00 0.00 42.46 40.20 1bw4 s ILE 78 CO 0.05 0.00 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.14 1bw4 s THR 79 N -3.33 2.63 0.62 4.00 2.01 -1.26 -1.33 115.64 118.98 1bw4 s THR 79 Ca 0.33 -1.43 -0.11 0.00 0.31 0.00 0.00 61.69 60.79 1bw4 s THR 79 Cb 0.02 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1bw4 s THR 79 CO 0.23 -0.03 1.03 0.00 -0.69 0.00 0.00 174.62 175.16 1bw4 s ALA 80 N 1.20 3.10 -0.69 7.40 0.00 0.15 -4.79 121.76 128.13 1bw4 s ALA 80 Ca -0.06 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 1bw4 s ALA 80 Cb -0.19 -3.07 0.18 0.00 0.00 0.00 0.00 23.12 20.04 1bw4 s ALA 80 CO -0.03 -0.70 0.61 1.03 0.00 0.00 0.00 175.76 176.67 1bw4 s ARG 81 N -5.17 3.18 -0.43 0.00 0.52 -1.26 -0.45 118.95 115.34 1bw4 s ARG 81 Ca 0.55 -2.22 -0.28 0.00 -0.52 0.00 0.00 55.73 53.26 1bw4 s ARG 81 Cb -0.11 -4.24 -0.02 0.00 0.52 0.00 0.00 34.95 31.10 1bw4 s ARG 81 CO 0.54 -1.27 1.86 0.42 0.02 0.00 0.00 175.30 176.86 1bw4 s ILE 82 N 0.60 3.41 -0.03 1.52 1.01 0.15 0.18 121.20 128.04 1bw4 s ILE 82 Ca 0.13 0.36 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1bw4 s ILE 82 Cb -0.18 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1bw4 s ILE 82 CO -0.04 -0.55 -0.02 0.55 0.00 0.00 0.00 174.94 174.87 1bw4 n VAL 83 N 7.38 0.19 -4.28 2.92 3.14 -0.99 -2.07 118.33 124.62 1bw4 n VAL 83 Ca 0.23 -0.08 -0.18 0.00 -2.96 0.00 0.00 64.34 61.35 1bw4 n VAL 83 Cb 0.49 -0.67 -0.07 0.00 -1.06 0.00 0.00 33.84 32.53 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bw4 n ASP 84 N -2.51 -0.29 -4.14 6.55 2.03 -1.18 -4.23 116.55 112.78 1bw4 n ASP 84 Ca -0.06 -2.91 -0.35 0.00 0.52 0.00 0.00 54.79 52.00 1bw4 n ASP 84 Cb 0.57 1.36 -0.13 0.00 -0.72 0.00 0.00 41.12 42.19 1bw4 n ASP 84 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1bw4 s GLN 85 N -3.21 2.20 0.66 -0.67 -0.21 -1.26 -0.28 119.66 116.88 1bw4 s GLN 85 Ca 0.32 -1.52 -0.03 0.00 0.02 0.00 0.00 55.36 54.15 1bw4 s GLN 85 Cb 0.02 -3.33 0.06 0.00 1.00 0.00 0.00 33.01 30.76 1bw4 s GLN 85 CO 0.22 -0.81 0.93 0.00 -2.12 0.00 0.00 175.29 173.52 1bw4 n ALA 87 N -2.73 2.58 -1.88 0.00 0.00 -1.26 -4.65 120.51 112.58 1bw4 n ALA 87 Ca 0.09 -0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 1bw4 n ALA 87 Cb 0.60 0.09 0.04 0.00 0.00 0.00 0.00 19.45 20.18 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 -2.96 7.13 -1.85 0.00 6.94 -1.26 -4.94 115.26 118.32 1bw4 n ASN 88 Ca -0.01 -3.81 0.00 0.00 -0.02 0.00 0.00 54.58 50.74 1bw4 n ASN 88 Cb 0.03 -0.95 0.00 0.00 -2.36 0.00 0.00 39.78 36.50 1bw4 n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw4 n GLY 89 N -0.61 2.64 0.12 4.83 0.00 -1.26 -5.07 105.19 105.83 1bw4 n GLY 89 Ca 0.54 -2.14 0.01 0.00 0.00 0.00 0.00 46.02 44.43 1bw4 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw4 n GLY 90 N 5.00 0.45 0.00 -0.02 0.00 -1.04 -4.84 105.19 104.75 1bw4 n GLY 90 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.34 0.00 -4.12 0.99 -0.00 -0.74 -2.83 117.00 109.97 1bw4 n LEU 91 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.91 1bw4 n LEU 91 Cb 0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.85 1bw4 n LEU 91 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 177.39 178.90 1bw4 s ASP 92 N 0.00 0.45 -0.58 1.96 1.47 -1.09 -1.34 116.67 117.54 1bw4 s ASP 92 Ca 0.00 -1.32 0.04 0.00 1.18 0.00 0.00 52.55 52.45 1bw4 s ASP 92 Cb 0.00 0.54 0.38 0.00 -0.34 0.00 0.00 42.92 43.49 1bw4 s ASP 92 CO 0.00 -1.08 1.21 0.00 0.68 0.00 0.00 175.17 175.99 1bw4 n LEU 93 N -0.42 5.16 0.00 2.11 -0.00 0.03 -0.01 117.00 123.87 1bw4 n LEU 93 Ca 0.01 -5.35 0.00 0.00 -0.00 0.00 0.00 56.01 50.67 1bw4 n LEU 93 Cb 0.63 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1bw4 n LEU 93 CO 0.29 2.21 0.00 -0.90 -0.00 0.00 0.00 177.39 178.99 1bw4 n ASP 94 N -0.37 0.00 0.00 1.45 5.75 0.10 -3.83 116.55 119.64 1bw4 n ASP 94 Ca 0.39 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 55.29 1bw4 n ASP 94 Cb 0.49 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.65 0.00 0.00 2.11 -0.00 -0.19 -4.36 117.44 113.35 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 0.00 0.00 -0.25 5.87 5.75 -1.26 -4.67 116.55 121.99 1bw4 n ASP 96 Ca 0.00 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 54.99 1bw4 n ASP 96 Cb 0.00 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 40.44 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 -2.34 -0.11 -0.02 2.12 -2.24 -1.26 -2.52 114.28 107.90 1bw4 n THR 97 Ca 0.00 0.89 -0.01 0.00 -2.27 0.00 0.00 64.05 62.66 1bw4 n THR 97 Cb 0.00 -1.46 -0.00 0.00 -2.10 0.00 0.00 70.33 66.77 1bw4 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bw4 h VAL 98 N 0.00 0.00 0.00 2.28 2.07 -1.93 -3.44 116.25 115.23 1bw4 h VAL 98 Ca 0.44 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1bw4 h VAL 98 Cb 1.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1bw4 h VAL 98 CO -0.21 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.71 1bw4 n PHE 99 N -2.96 0.00 0.24 1.57 -0.00 -1.05 -2.91 117.46 112.35 1bw4 n PHE 99 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.47 1bw4 n PHE 99 Cb 0.08 -0.12 0.23 0.00 -0.00 0.00 0.00 39.48 39.67 1bw4 n PHE 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1bw4 h THR 100 N 0.00 0.00 0.11 -2.13 1.03 -1.83 0.43 112.91 110.52 1bw4 h THR 100 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 66.41 66.12 1bw4 h THR 100 Cb 0.00 0.19 -0.01 0.00 -1.07 0.00 0.00 68.15 67.26 1bw4 h THR 100 CO 0.00 0.00 -1.46 0.11 -0.01 0.00 0.00 175.52 174.16 1bw4 h LYS 101 N 0.00 0.24 -0.31 0.00 1.79 -1.70 -3.35 116.57 113.23 1bw4 h LYS 101 Ca 0.00 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1bw4 h LYS 101 Cb 1.28 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 1bw4 h LYS 101 CO 0.00 1.20 0.00 0.44 -1.08 0.00 0.00 179.45 180.01 1bw4 n ILE 102 N -3.90 0.42 -2.16 1.86 -5.35 0.15 -4.37 119.36 106.01 1bw4 n ILE 102 Ca -0.26 -0.46 -0.39 0.00 -0.27 0.00 0.00 62.75 61.37 1bw4 n ILE 102 Cb 0.91 0.29 0.02 0.00 -1.74 0.00 0.00 39.64 39.12 1bw4 n ILE 102 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1bw4 n ASP 103 N 0.52 7.42 0.29 7.28 9.92 -0.84 -4.79 116.55 136.35 1bw4 n ASP 103 Ca 0.14 -3.69 0.13 0.00 -0.53 0.00 0.00 54.79 50.84 1bw4 n ASP 103 Cb 0.32 -1.14 0.72 0.00 -0.64 0.00 0.00 41.12 40.38 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1bw4 h THR 104 N 2.12 0.00 0.00 -3.53 1.35 -1.84 -3.06 112.91 107.95 1bw4 h THR 104 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.41 1bw4 h THR 104 Cb 0.21 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1bw4 h THR 104 CO 1.30 0.00 -0.70 -0.46 -0.25 0.00 0.00 175.52 175.41 1bw4 n ASN 105 N -2.69 0.10 0.00 5.36 6.94 -1.26 -5.07 115.26 118.64 1bw4 n ASN 105 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1bw4 n ASN 105 Cb 0.35 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 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 2.74 1.20 0.17 4.83 0.00 -1.16 -5.03 105.19 107.94 1bw4 n GLY 106 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.03 -0.28 -0.20 -0.61 2.08 -1.26 -0.80 119.36 116.26 1bw4 n ILE 107 Ca 0.00 1.85 0.30 0.00 0.56 0.00 0.00 62.75 65.46 1bw4 n ILE 107 Cb 0.07 -2.37 0.73 0.00 -0.75 0.00 0.00 39.64 37.31 1bw4 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw4 h GLY 108 N 0.00 0.00 1.88 7.39 0.00 -1.96 0.31 103.07 110.69 1bw4 h GLY 108 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1bw4 h GLY 108 CO -0.39 0.00 0.06 -1.82 0.00 0.00 0.00 176.54 174.39 1bw4 h TYR 109 N 0.00 0.00 0.00 5.60 5.03 -1.21 0.31 116.97 126.71 1bw4 h TYR 109 Ca 0.45 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.76 1bw4 h TYR 109 Cb 1.84 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.12 1bw4 h TYR 109 CO 0.00 0.00 0.00 1.96 -1.32 0.00 0.00 178.16 178.80 1bw4 h GLN 110 N 0.00 0.00 0.00 1.82 1.08 -0.99 -3.37 115.11 113.65 1bw4 h GLN 110 Ca 0.01 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1bw4 h GLN 110 Cb 0.12 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1bw4 h GLN 110 CO -0.00 0.00 -1.39 1.04 -0.95 0.00 0.00 178.83 177.53 1bw4 n GLN 111 N -2.63 0.17 0.00 1.46 3.00 0.68 -5.05 117.38 115.02 1bw4 n GLN 111 Ca 0.04 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1bw4 n GLN 111 Cb 0.45 -1.13 0.00 0.00 0.00 0.00 0.00 30.24 29.56 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bw4 n GLY 112 N 3.16 1.51 3.42 1.08 0.00 0.77 -5.12 105.19 110.01 1bw4 n GLY 112 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 -0.48 0.07 1.61 -3.43 -1.18 -3.45 115.29 106.43 1bw4 s HIS 113 Ca 0.00 0.52 -0.00 0.00 -0.80 0.00 0.00 55.06 54.77 1bw4 s HIS 113 Cb 0.00 0.40 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 1bw4 s HIS 113 CO 0.00 -0.69 -0.04 -1.17 -2.00 0.00 0.00 174.74 170.84 1bw4 s LEU 114 N -2.08 2.46 -0.14 5.38 2.96 -1.04 -4.39 118.68 121.83 1bw4 s LEU 114 Ca -0.04 -1.01 -0.00 0.00 -0.22 0.00 0.00 54.13 52.85 1bw4 s LEU 114 Cb -0.00 0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.80 1bw4 s LEU 114 CO -0.03 -0.57 -0.14 0.21 -1.32 0.00 0.00 176.35 174.51 1bw4 s ASN 115 N -2.97 3.91 0.30 3.68 3.04 -1.26 -2.03 114.94 119.62 1bw4 s ASN 115 Ca 0.10 -0.37 0.03 0.00 0.04 0.00 0.00 52.86 52.65 1bw4 s ASN 115 Cb 0.07 -1.60 -0.04 0.00 -1.54 0.00 0.00 41.25 38.15 1bw4 s ASN 115 CO -0.08 0.14 0.15 0.68 -3.04 0.00 0.00 177.10 174.96 1bw4 s VAL 116 N 0.51 0.36 0.00 -5.21 -7.23 -1.10 -4.28 120.40 103.44 1bw4 s VAL 116 Ca -0.09 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1bw4 s VAL 116 Cb -0.16 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1bw4 s VAL 116 CO 0.04 0.00 -0.17 0.20 -0.31 0.00 0.00 175.10 174.86 1bw4 s ASN 117 N -3.38 2.05 -0.03 4.85 0.01 -0.30 -1.62 114.94 116.52 1bw4 s ASN 117 Ca 0.35 -0.36 -0.11 0.00 -0.71 0.00 0.00 52.86 52.04 1bw4 s ASN 117 Cb 0.05 -0.21 0.02 0.00 0.41 0.00 0.00 41.25 41.52 1bw4 s ASN 117 CO 0.17 0.19 0.23 -0.72 -1.51 0.00 0.00 177.10 175.46 1bw4 s TYR 118 N -0.51 -0.13 -0.03 2.20 -0.85 -0.37 -0.60 117.35 117.07 1bw4 s TYR 118 Ca 0.06 0.24 0.01 0.00 -0.52 0.00 0.00 57.07 56.86 1bw4 s TYR 118 Cb -0.07 0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.34 1bw4 s TYR 118 CO -0.00 -0.28 -0.01 -0.65 -1.52 0.00 0.00 175.55 173.09 1bw4 s GLN 119 N -0.94 0.37 0.13 -3.49 -1.52 -0.19 -2.62 119.66 111.40 1bw4 s GLN 119 Ca -0.10 0.04 -0.33 0.00 -1.95 0.00 0.00 55.36 53.02 1bw4 s GLN 119 Cb -0.05 -0.51 -0.13 0.00 -0.22 0.00 0.00 33.01 32.10 1bw4 s GLN 119 CO 0.02 -0.12 1.70 1.19 -0.25 0.00 0.00 175.29 177.84 1bw4 n PHE 120 N 4.07 2.46 -4.65 0.91 3.01 -0.18 -0.95 117.46 122.12 1bw4 n PHE 120 Ca -0.26 0.09 -0.23 0.00 1.01 0.00 0.00 57.45 58.06 1bw4 n PHE 120 Cb 0.51 -2.63 -0.16 0.00 -0.01 0.00 0.00 39.48 37.19 1bw4 n PHE 120 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1bw4 s VAL 121 N 1.74 1.15 -0.19 -4.37 1.01 -0.44 -4.85 120.40 114.45 1bw4 s VAL 121 Ca 0.80 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 1bw4 s VAL 121 Cb -0.60 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1bw4 s VAL 121 CO 0.38 0.34 0.58 -0.62 0.00 0.00 0.00 175.10 175.78 1bw4 s ASP 122 N -0.02 6.66 0.00 3.32 2.15 -1.26 -0.83 116.67 126.68 1bw4 s ASP 122 Ca -0.01 0.79 0.19 0.00 0.43 0.00 0.00 52.55 53.96 1bw4 s ASP 122 Cb -0.09 -2.33 0.67 0.00 -0.30 0.00 0.00 42.92 40.88 1bw4 s ASP 122 CO 0.01 -0.21 1.50 0.00 -0.17 0.00 0.00 175.17 176.29 1bw4 n ARG 124 N 0.38 -1.45 0.00 0.00 1.74 -1.26 -5.10 116.66 110.98 1bw4 n ARG 124 Ca 0.16 0.80 0.15 0.00 -0.77 0.00 0.00 57.85 58.19 1bw4 n ARG 124 Cb 0.33 -2.71 0.83 0.00 -1.02 0.00 0.00 32.46 29.89 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64