#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwb n ALA 2 N 0.00 0.00 -0.95 -5.12 0.00 -1.26 -4.98 120.51 108.21 2wwb n ALA 2 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2wwb n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wwb n ALA 2 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2wwb n ARG 3 N 0.00 -1.87 -0.07 0.00 0.00 -1.26 -5.06 116.66 108.40 2wwb n ARG 3 Ca 0.00 1.26 -0.20 0.00 -0.00 0.00 0.00 57.85 58.91 2wwb n ARG 3 Cb 0.00 -2.31 -0.12 0.00 -0.00 0.00 0.00 32.46 30.03 2wwb n ARG 3 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 2wwb h TYR 4 N -0.92 0.10 0.00 2.89 3.20 -1.94 -3.48 116.97 116.81 2wwb h TYR 4 Ca 0.01 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2wwb h TYR 4 Cb 1.22 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2wwb h TYR 4 CO -1.80 1.42 -0.65 0.41 -1.64 0.00 0.00 178.16 175.90 2wwb n GLY 5 N 1.54 -1.23 2.73 1.82 0.00 -1.26 -4.68 105.19 104.12 2wwb n GLY 5 Ca -0.27 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2wwb n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwb n ALA 6 N -1.58 5.86 0.26 4.61 0.00 -1.26 -4.93 120.51 123.48 2wwb n ALA 6 Ca 0.05 -4.22 0.03 0.00 0.00 0.00 0.00 53.44 49.29 2wwb n ALA 6 Cb 0.36 -2.94 0.04 0.00 0.00 0.00 0.00 19.45 16.91 2wwb n ALA 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wwb n THR 7 N 2.88 0.00 -1.82 0.00 -2.24 -1.26 -4.81 114.28 107.04 2wwb n THR 7 Ca 0.48 0.97 -0.42 0.00 -2.27 0.00 0.00 64.05 62.81 2wwb n THR 7 Cb 0.32 -1.92 -0.03 0.00 -2.10 0.00 0.00 70.33 66.60 2wwb n THR 7 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wwb s SER 8 N -2.99 6.53 0.00 3.42 0.15 -1.26 -4.89 113.70 114.66 2wwb s SER 8 Ca -0.00 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.20 2wwb s SER 8 Cb 0.01 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2wwb s SER 8 CO 0.04 -0.97 0.00 1.07 1.20 0.00 0.00 173.24 174.58 2wwb n THR 9 N 5.12 0.00 -4.57 6.45 5.66 -1.26 -5.03 114.28 120.65 2wwb n THR 9 Ca 0.18 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.91 2wwb n THR 9 Cb 0.41 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.09 2wwb n THR 9 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2wwb s ASN 10 N 1.05 3.16 0.00 1.09 3.84 -1.26 -4.89 114.94 117.93 2wwb s ASN 10 Ca 0.00 -1.54 0.18 0.00 0.21 0.00 0.00 52.86 51.71 2wwb s ASN 10 Cb 0.00 0.21 0.92 0.00 -0.55 0.00 0.00 41.25 41.83 2wwb s ASN 10 CO 0.00 -0.75 1.52 -0.81 -2.79 0.00 0.00 177.10 174.27 2wwb n PRO 11 N -0.94 0.30 -0.26 0.43 -0.04 -1.26 -1.24 135.00 131.99 2wwb n PRO 11 Ca -0.08 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 2wwb n PRO 11 Cb 0.66 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.84 2wwb n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wwb n ALA 12 N -1.24 2.48 -2.20 0.55 0.00 -1.26 -3.62 120.51 115.22 2wwb n ALA 12 Ca 0.09 -0.86 -0.00 0.00 0.00 0.00 0.00 53.44 52.67 2wwb n ALA 12 Cb 0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 2wwb n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wwb n LYS 13 N 0.87 0.00 -4.22 0.00 5.02 -0.37 -4.98 118.16 114.48 2wwb n LYS 13 Ca 0.16 -1.26 -0.13 0.00 -2.02 0.00 0.00 58.31 55.07 2wwb n LYS 13 Cb 0.43 0.03 -0.10 0.00 -0.02 0.00 0.00 35.03 35.37 2wwb n LYS 13 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wwb s SER 14 N -1.26 0.75 0.19 4.39 0.15 -1.17 -2.00 113.70 114.74 2wwb s SER 14 Ca 0.13 -1.26 -0.07 0.00 0.70 0.00 0.00 55.95 55.46 2wwb s SER 14 Cb 0.15 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 2wwb s SER 14 CO -0.07 -0.69 0.26 0.00 1.20 0.00 0.00 173.24 173.94 2wwb s ALA 15 N -3.88 0.35 0.06 5.45 0.00 -0.90 -4.95 121.76 117.88 2wwb s ALA 15 Ca 0.29 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 50.94 2wwb s ALA 15 Cb 0.07 1.04 0.02 0.00 0.00 0.00 0.00 23.12 24.25 2wwb s ALA 15 CO 0.06 -0.66 0.33 -1.12 0.00 0.00 0.00 175.76 174.37 2wwb s SER 16 N -3.04 -0.15 0.08 0.00 0.01 -1.26 -2.05 113.70 107.29 2wwb s SER 16 Ca 0.25 -0.20 -0.26 0.00 1.31 0.00 0.00 55.95 57.05 2wwb s SER 16 Cb 0.04 0.38 0.08 0.00 0.21 0.00 0.00 66.02 66.73 2wwb s SER 16 CO 0.05 -0.66 0.68 0.00 0.41 0.00 0.00 173.24 173.72 2wwb s ALA 17 N -2.77 -1.68 -0.06 1.44 0.00 -0.46 -4.69 121.76 113.54 2wwb s ALA 17 Ca -0.03 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 2wwb s ALA 17 Cb -0.00 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.73 2wwb s ALA 17 CO -0.05 -0.66 0.36 1.03 0.00 0.00 0.00 175.76 176.44 2wwb s ARG 18 N -3.06 0.64 0.25 0.00 0.52 -1.26 -1.08 118.95 114.95 2wwb s ARG 18 Ca -0.01 0.06 0.05 0.00 -0.52 0.00 0.00 55.73 55.32 2wwb s ARG 18 Cb -0.01 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.72 2wwb s ARG 18 CO -0.08 -0.16 0.35 0.20 0.02 0.00 0.00 175.30 175.64 2wwb s GLY 19 N -0.86 1.26 -0.15 -3.53 0.00 -0.43 -4.99 107.32 98.62 2wwb s GLY 19 Ca -0.09 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.30 2wwb s GLY 19 CO 0.04 -1.28 0.32 -0.45 0.00 0.00 0.00 173.10 171.73 2wwb s SER 20 N -3.98 -0.00 -1.46 1.64 0.15 -1.26 -2.16 113.70 106.62 2wwb s SER 20 Ca 0.35 0.73 -0.11 0.00 0.70 0.00 0.00 55.95 57.62 2wwb s SER 20 Cb -0.09 0.86 0.06 0.00 -1.71 0.00 0.00 66.02 65.13 2wwb s SER 20 CO 0.29 -0.22 0.98 -1.22 1.20 0.00 0.00 173.24 174.27 2wwb n TYR 21 N 5.09 -2.36 -3.67 3.44 4.02 -1.26 -4.95 117.16 117.46 2wwb n TYR 21 Ca -0.11 0.92 -0.33 0.00 -0.01 0.00 0.00 57.90 58.37 2wwb n TYR 21 Cb 0.51 -4.27 -0.05 0.00 -0.02 0.00 0.00 39.34 35.51 2wwb n TYR 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2wwb s LEU 22 N -7.18 4.31 -0.81 7.72 1.43 -0.83 -4.94 118.68 118.37 2wwb s LEU 22 Ca 0.54 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 54.23 2wwb s LEU 22 Cb -0.26 -3.07 0.13 0.00 0.03 0.00 0.00 46.19 43.01 2wwb s LEU 22 CO 0.81 0.13 2.50 0.54 0.23 0.00 0.00 176.35 180.56 2wwb n ARG 23 N 0.53 3.38 -3.87 1.70 1.74 -1.26 -0.97 116.66 117.91 2wwb n ARG 23 Ca -0.06 -3.01 -0.21 0.00 -0.77 0.00 0.00 57.85 53.81 2wwb n ARG 23 Cb 0.52 -2.34 -0.17 0.00 -1.02 0.00 0.00 32.46 29.45 2wwb n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wwb s VAL 24 N -2.37 0.31 -0.00 1.55 1.01 -1.24 -4.76 120.40 114.90 2wwb s VAL 24 Ca 0.55 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 2wwb s VAL 24 Cb 0.31 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 36.25 2wwb s VAL 24 CO -0.20 0.22 0.00 -0.24 0.00 0.00 0.00 175.10 174.89 2wwb n SER 25 N 4.74 0.00 -0.13 3.32 2.88 -0.87 -2.16 113.62 121.41 2wwb n SER 25 Ca -0.14 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.29 2wwb n SER 25 Cb 0.50 -0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 2wwb n SER 25 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wwb h PHE 26 N 0.01 0.73 -0.36 0.66 3.57 -1.79 -2.74 116.94 117.02 2wwb h PHE 26 Ca -0.00 -0.13 -0.13 0.00 3.53 0.00 0.00 57.97 61.24 2wwb h PHE 26 Cb 0.00 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2wwb h PHE 26 CO 0.00 0.77 -0.27 0.87 -2.23 0.00 0.00 178.31 177.45 2wwb h LYS 27 N 0.49 0.82 0.04 1.11 1.57 -1.92 -2.84 116.57 115.83 2wwb h LYS 27 Ca 0.10 -0.40 -0.29 0.00 -1.87 0.00 0.00 60.65 58.19 2wwb h LYS 27 Cb 0.49 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2wwb h LYS 27 CO 0.02 1.03 -1.63 -0.91 -0.57 0.00 0.00 179.45 177.40 2wwb h ASN 28 N 0.61 0.14 1.07 0.86 4.21 -1.97 -3.36 115.58 117.14 2wwb h ASN 28 Ca 0.07 -0.25 -0.10 0.00 1.21 0.00 0.00 56.30 57.23 2wwb h ASN 28 Cb 0.84 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.98 2wwb h ASN 28 CO 0.07 1.22 -0.47 0.74 -1.29 0.00 0.00 177.43 177.70 2wwb h THR 29 N 0.02 0.95 -0.50 2.81 2.02 -1.56 -2.51 112.91 114.14 2wwb h THR 29 Ca -0.26 -1.92 -0.07 0.00 0.77 0.00 0.00 66.41 64.93 2wwb h THR 29 Cb 1.99 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 70.55 2wwb h THR 29 CO 0.10 0.46 0.01 0.08 0.37 0.00 0.00 175.52 176.55 2wwb h ARG 30 N 0.00 0.83 -0.28 6.66 0.11 -1.65 0.09 114.38 120.14 2wwb h ARG 30 Ca -0.00 -0.22 -0.15 0.00 0.10 0.00 0.00 59.98 59.71 2wwb h ARG 30 Cb 1.13 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 2wwb h ARG 30 CO 0.06 0.83 -0.42 0.93 0.10 0.00 0.00 179.97 181.47 2wwb h GLU 31 N 0.78 0.69 -0.46 0.08 4.39 -1.67 -1.46 114.58 116.93 2wwb h GLU 31 Ca 0.15 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 2wwb h GLU 31 Cb 0.45 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2wwb h GLU 31 CO 0.02 0.98 -0.08 1.15 -1.16 0.00 0.00 179.01 179.92 2wwb h THR 32 N 0.56 1.27 -0.59 1.13 2.02 -1.22 -1.65 112.91 114.44 2wwb h THR 32 Ca 0.04 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 2wwb h THR 32 Cb 0.95 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 2wwb h THR 32 CO 0.09 0.41 0.08 0.00 0.37 0.00 0.00 175.52 176.47 2wwb h ALA 33 N 0.89 0.78 0.00 6.16 0.00 -0.89 -2.00 119.26 124.19 2wwb h ALA 33 Ca 0.12 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2wwb h ALA 33 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wwb h ALA 33 CO 0.04 0.55 -0.37 0.37 0.00 0.00 0.00 179.25 179.83 2wwb h GLN 34 N 0.88 0.00 0.00 0.00 5.75 -1.28 -3.25 115.11 117.22 2wwb h GLN 34 Ca 0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2wwb h GLN 34 Cb 0.44 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.99 2wwb h GLN 34 CO 0.01 0.37 -0.48 0.00 -2.65 0.00 0.00 178.83 176.09 2wwb h ALA 35 N 1.63 0.68 -0.64 3.38 0.00 -0.61 -3.46 119.26 120.24 2wwb h ALA 35 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2wwb h ALA 35 Cb 0.86 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 2wwb h ALA 35 CO 0.05 0.00 0.27 -0.84 0.00 0.00 0.00 179.25 178.73 2wwb h ILE 36 N 0.00 0.80 0.00 0.00 3.07 -1.43 -3.46 117.51 116.49 2wwb h ILE 36 Ca 0.00 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 66.25 2wwb h ILE 36 Cb 0.76 0.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.59 2wwb h ILE 36 CO 0.00 0.09 0.00 0.59 -1.05 0.00 0.00 178.15 177.78 2wwb n ASN 37 N -4.95 0.00 -3.16 2.16 3.02 -1.26 -4.63 115.26 106.44 2wwb n ASN 37 Ca 0.09 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.68 2wwb n ASN 37 Cb 0.27 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.44 2wwb n ASN 37 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2wwb s GLY 38 N 0.00 -1.26 0.00 7.41 0.00 -1.26 -5.10 107.32 107.11 2wwb s GLY 38 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 44.72 45.57 2wwb s GLY 38 CO 0.00 3.71 0.00 0.79 0.00 0.00 0.00 173.10 177.60 2wwb n TRP 39 N 5.08 0.00 -1.97 1.90 7.02 -1.26 -4.80 117.44 123.41 2wwb n TRP 39 Ca 0.07 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.26 2wwb n TRP 39 Cb 0.55 -1.23 0.11 0.00 -2.42 0.00 0.00 31.31 28.32 2wwb n TRP 39 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2wwb s GLU 40 N -3.14 1.70 0.31 -0.99 4.04 -1.26 -3.59 118.70 115.77 2wwb s GLU 40 Ca 0.00 -0.09 0.01 0.00 0.04 0.00 0.00 54.97 54.93 2wwb s GLU 40 Cb 0.00 -1.97 0.50 0.00 0.02 0.00 0.00 34.13 32.68 2wwb s GLU 40 CO 0.00 -1.72 1.86 -0.07 -1.84 0.00 0.00 175.26 173.49 2wwb h LEU 41 N -1.10 0.66 -0.84 1.83 3.38 -1.99 -2.40 115.31 114.85 2wwb h LEU 41 Ca -0.45 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 2wwb h LEU 41 Cb 1.31 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2wwb h LEU 41 CO 0.58 0.66 -0.13 0.00 0.09 0.00 0.00 178.44 179.65 2wwb h THR 42 N 0.69 1.26 -0.39 0.22 1.03 -1.98 -0.57 112.91 113.17 2wwb h THR 42 Ca 0.15 -1.18 -0.15 0.00 -0.01 0.00 0.00 66.41 65.23 2wwb h THR 42 Cb 0.28 1.09 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 2wwb h THR 42 CO -0.00 0.40 -0.35 0.11 -0.01 0.00 0.00 175.52 175.67 2wwb h LYS 43 N 0.65 0.92 -0.66 0.00 1.79 -1.88 -1.67 116.57 115.72 2wwb h LYS 43 Ca 0.11 -0.47 -0.05 0.00 -2.18 0.00 0.00 60.65 58.05 2wwb h LYS 43 Cb 0.60 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 2wwb h LYS 43 CO 0.04 1.13 0.20 0.00 -1.08 0.00 0.00 179.45 179.74 2wwb h ALA 44 N 0.78 0.86 -0.33 3.86 0.00 -1.32 -1.94 119.26 121.17 2wwb h ALA 44 Ca 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2wwb h ALA 44 Cb 0.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2wwb h ALA 44 CO 0.09 0.54 0.09 0.37 0.00 0.00 0.00 179.25 180.34 2wwb h GLN 45 N 0.95 0.52 -0.62 0.00 4.15 -1.07 -2.86 115.11 116.19 2wwb h GLN 45 Ca 0.21 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2wwb h GLN 45 Cb 0.30 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2wwb h GLN 45 CO -0.01 0.57 0.00 1.63 -1.93 0.00 0.00 178.83 179.09 2wwb n LYS 46 N -4.65 4.41 -0.08 1.69 4.01 -0.63 -1.05 118.16 121.85 2wwb n LYS 46 Ca -0.02 -3.00 -0.23 0.00 -0.51 0.00 0.00 58.31 54.56 2wwb n LYS 46 Cb 0.18 -2.12 -0.12 0.00 -0.51 0.00 0.00 35.03 32.46 2wwb n LYS 46 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 2wwb n TYR 47 N 0.82 0.72 0.04 2.13 9.36 -0.74 -4.30 117.16 125.20 2wwb n TYR 47 Ca 0.27 0.23 -0.04 0.00 3.32 0.00 0.00 57.90 61.68 2wwb n TYR 47 Cb 1.07 -1.08 0.19 0.00 -0.63 0.00 0.00 39.34 38.89 2wwb n TYR 47 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2wwb h LEU 48 N -0.52 0.41 -0.50 2.98 3.38 -1.27 -1.45 115.31 118.35 2wwb h LEU 48 Ca -0.48 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.17 2wwb h LEU 48 Cb 1.68 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2wwb h LEU 48 CO -0.15 0.74 -0.49 -0.33 0.09 0.00 0.00 178.44 178.30 2wwb h GLU 49 N 0.34 0.67 0.00 1.13 5.08 -1.34 -2.90 114.58 117.56 2wwb h GLU 49 Ca 0.04 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 2wwb h GLU 49 Cb 0.78 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2wwb h GLU 49 CO 0.06 1.01 -0.36 1.96 -1.00 0.00 0.00 179.01 180.68 2wwb h GLN 50 N 0.53 0.00 -0.30 2.33 4.20 -1.71 -2.99 115.11 117.18 2wwb h GLN 50 Ca 0.03 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2wwb h GLN 50 Cb 1.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 2wwb h GLN 50 CO 0.10 0.36 -0.04 0.28 -0.67 0.00 0.00 178.83 178.85 2wwb h VAL 51 N 0.00 1.20 -0.44 -0.54 2.07 -1.11 0.13 116.25 117.56 2wwb h VAL 51 Ca -0.00 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2wwb h VAL 51 Cb 0.99 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2wwb h VAL 51 CO 0.05 0.28 0.18 0.25 0.02 0.00 0.00 177.57 178.34 2wwb h LEU 52 N 0.45 0.61 -0.11 2.57 7.12 -1.36 -3.22 115.31 121.39 2wwb h LEU 52 Ca 0.09 -0.17 -0.04 0.00 0.13 0.00 0.00 57.88 57.90 2wwb h LEU 52 Cb 0.37 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2wwb h LEU 52 CO 0.02 0.61 -0.10 0.44 -0.13 0.00 0.00 178.44 179.28 2wwb h ASP 53 N 0.57 0.27 0.00 1.25 3.32 -1.52 -3.47 116.42 116.84 2wwb h ASP 53 Ca 0.15 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2wwb h ASP 53 Cb 0.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2wwb h ASP 53 CO -0.01 0.69 0.00 1.57 -1.72 0.00 0.00 179.24 179.77 2wwb n HIS 54 N -4.65 -0.28 -0.99 4.55 -0.00 -0.13 -5.02 115.22 108.69 2wwb n HIS 54 Ca -0.07 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.99 2wwb n HIS 54 Cb 0.33 0.06 -0.15 0.00 -0.12 0.00 0.00 29.99 30.10 2wwb n HIS 54 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 2wwb n GLN 55 N -1.27 1.96 0.00 1.57 -0.06 -0.27 -4.86 117.38 114.45 2wwb n GLN 55 Ca 0.00 -1.01 0.00 0.00 -2.00 0.00 0.00 57.00 53.99 2wwb n GLN 55 Cb 0.00 -1.95 0.00 0.00 -4.06 0.00 0.00 30.24 24.23 2wwb n GLN 55 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2wwb n ARG 56 N 2.36 0.00 -0.03 3.69 5.12 -1.26 -4.48 116.66 122.06 2wwb n ARG 56 Ca 0.41 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 2wwb n ARG 56 Cb 0.88 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.18 2wwb n ARG 56 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wwb n ALA 57 N 10.78 -1.83 -2.54 7.54 0.00 -1.26 -4.64 120.51 128.56 2wwb n ALA 57 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2wwb n ALA 57 Cb 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 19.45 18.88 2wwb n ALA 57 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wwb s ILE 58 N -0.93 1.69 0.11 0.00 2.07 -1.26 -4.95 121.20 117.93 2wwb s ILE 58 Ca 0.00 -0.90 -0.36 0.00 -1.41 0.00 0.00 60.65 57.98 2wwb s ILE 58 Cb 0.00 -1.42 -0.16 0.00 0.13 0.00 0.00 42.46 41.01 2wwb s ILE 58 CO 0.00 0.48 1.30 -2.65 -1.91 0.00 0.00 174.94 172.16 2wwb n PRO 59 N 2.71 1.16 -3.76 3.50 -0.02 -1.26 -4.87 135.00 132.46 2wwb n PRO 59 Ca -0.16 0.42 -0.36 0.00 -2.02 0.00 0.00 63.50 61.37 2wwb n PRO 59 Cb 0.53 -2.03 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 2wwb n PRO 59 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wwb s PHE 60 N 0.33 3.12 -0.19 6.00 0.40 -1.26 -4.84 117.98 121.54 2wwb s PHE 60 Ca 0.82 -0.29 -0.17 0.00 -0.60 0.00 0.00 56.93 56.69 2wwb s PHE 60 Cb -0.93 -2.24 -0.21 0.00 0.51 0.00 0.00 43.02 40.15 2wwb s PHE 60 CO 0.48 -0.27 0.22 0.54 0.70 0.00 0.00 175.22 176.89 2wwb n ARG 61 N 4.79 0.62 0.00 0.44 3.00 -1.26 -4.70 116.66 119.55 2wwb n ARG 61 Ca -0.16 0.47 0.00 0.00 -0.01 0.00 0.00 57.85 58.15 2wwb n ARG 61 Cb 0.52 -1.72 0.00 0.00 0.00 0.00 0.00 32.46 31.25 2wwb n ARG 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2wwb n ARG 62 N -4.14 2.47 -2.58 5.56 3.00 -1.26 -4.69 116.66 115.02 2wwb n ARG 62 Ca -0.33 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.10 2wwb n ARG 62 Cb 0.80 -0.84 0.01 0.00 0.00 0.00 0.00 32.46 32.43 2wwb n ARG 62 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wwb n PHE 63 N -1.36 2.58 -1.05 -0.14 7.35 -1.26 -4.68 117.46 118.90 2wwb n PHE 63 Ca 0.00 -2.65 0.08 0.00 -0.76 0.00 0.00 57.45 54.13 2wwb n PHE 63 Cb 0.23 -1.45 0.22 0.00 0.35 0.00 0.00 39.48 38.83 2wwb n PHE 63 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2wwb n ASN 64 N 1.32 3.29 -4.65 -2.13 0.23 -1.26 -4.97 115.26 107.09 2wwb n ASN 64 Ca 0.42 -3.09 -0.37 0.00 -0.53 0.00 0.00 54.58 51.01 2wwb n ASN 64 Cb 0.30 -0.51 0.06 0.00 -2.08 0.00 0.00 39.78 37.54 2wwb n ASN 64 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2wwb n SER 65 N -0.85 1.14 -4.77 0.53 3.41 -1.26 -4.93 113.62 106.89 2wwb n SER 65 Ca 0.20 0.80 -0.41 0.00 -0.26 0.00 0.00 58.87 59.20 2wwb n SER 65 Cb 0.82 -1.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.31 2wwb n SER 65 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wwb s SER 66 N -1.33 6.61 0.00 4.04 0.15 -1.26 -4.95 113.70 116.96 2wwb s SER 66 Ca 0.79 2.81 0.00 0.00 0.70 0.00 0.00 55.95 60.25 2wwb s SER 66 Cb -0.40 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.26 2wwb s SER 66 CO 0.44 -0.67 0.00 0.00 1.20 0.00 0.00 173.24 174.21 2wwb n ILE 67 N 0.86 0.00 0.00 6.45 3.06 -1.26 -5.18 119.36 123.29 2wwb n ILE 67 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 2wwb n ILE 67 Cb 0.41 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.59 2wwb n ILE 67 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2wwb n GLY 68 N -1.93 0.97 3.28 4.50 0.00 -1.26 -5.11 105.19 105.64 2wwb n GLY 68 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 2wwb n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwb s ARG 69 N 0.65 1.10 0.02 1.61 3.00 -1.26 -5.15 118.95 118.92 2wwb s ARG 69 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 55.73 54.43 2wwb s ARG 69 Cb 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 34.95 33.70 2wwb s ARG 69 CO 0.00 0.28 0.22 0.95 0.00 0.00 0.00 175.30 176.76 2wwb s THR 70 N -1.43 0.09 -3.68 0.02 -4.23 -1.26 -5.09 115.64 100.05 2wwb s THR 70 Ca 0.07 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2wwb s THR 70 Cb -0.09 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.03 2wwb s THR 70 CO 0.04 -0.39 0.00 0.00 -0.54 0.00 0.00 174.62 173.73 2wwb n ALA 71 N 1.01 0.00 -2.40 3.99 0.00 -1.26 -4.96 120.51 116.90 2wwb n ALA 71 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 2wwb n ALA 71 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 2wwb n ALA 71 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2wwb s GLN 72 N -1.47 2.30 0.00 0.00 0.00 -1.26 -5.06 119.66 114.18 2wwb s GLN 72 Ca 0.00 -0.82 0.00 0.00 -0.00 0.00 0.00 55.36 54.54 2wwb s GLN 72 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 33.01 30.81 2wwb s GLN 72 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 175.29 176.28 2wwb n GLY 73 N 2.40 5.06 7.00 2.60 0.00 -1.26 -4.88 105.19 116.11 2wwb n GLY 73 Ca -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2wwb n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wwb n LYS 74 N 0.00 0.00 -2.68 1.61 4.76 -1.26 -5.10 118.16 115.50 2wwb n LYS 74 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2wwb n LYS 74 Cb 0.00 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.23 2wwb n LYS 74 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wwb n GLU 75 N 14.00 -3.01 -2.53 1.97 -0.58 -1.26 -4.95 120.64 124.28 2wwb n GLU 75 Ca 0.00 0.44 -0.43 0.00 -0.42 0.00 0.00 57.16 56.75 2wwb n GLU 75 Cb 0.00 -4.14 0.01 0.00 -0.57 0.00 0.00 31.44 26.73 2wwb n GLU 75 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2wwb n PHE 76 N -2.57 3.01 -0.39 -0.32 7.35 -1.26 -3.94 117.46 119.33 2wwb n PHE 76 Ca -0.13 -2.81 0.00 0.00 -0.76 0.00 0.00 57.45 53.75 2wwb n PHE 76 Cb 0.58 -1.83 0.00 0.00 0.35 0.00 0.00 39.48 38.59 2wwb n PHE 76 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wwb n GLY 77 N 2.61 0.80 3.59 7.13 0.00 -1.26 -5.06 105.19 112.99 2wwb n GLY 77 Ca 0.37 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 2wwb n GLY 77 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wwb s VAL 78 N -2.00 0.65 0.00 1.61 -7.23 -1.25 -5.05 120.40 107.13 2wwb s VAL 78 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2wwb s VAL 78 Cb 0.00 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2wwb s VAL 78 CO 0.00 0.00 0.25 0.41 -0.31 0.00 0.00 175.10 175.45 2wwb n THR 79 N -1.05 0.00 -3.10 5.32 -1.04 -1.26 -4.65 114.28 108.50 2wwb n THR 79 Ca -0.10 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.71 2wwb n THR 79 Cb 0.65 0.26 -0.03 0.00 -1.82 0.00 0.00 70.33 69.39 2wwb n THR 79 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2wwb n LYS 80 N 0.00 1.52 -1.70 -2.82 4.01 -1.26 -4.47 118.16 113.45 2wwb n LYS 80 Ca 0.00 -3.72 -0.43 0.00 -0.51 0.00 0.00 58.31 53.64 2wwb n LYS 80 Cb 0.51 -1.82 -0.02 0.00 -0.51 0.00 0.00 35.03 33.20 2wwb n LYS 80 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wwb n ALA 81 N 0.14 1.55 -2.23 7.82 0.00 -1.26 -4.62 120.51 121.91 2wwb n ALA 81 Ca 0.26 0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.96 2wwb n ALA 81 Cb 0.61 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 2wwb n ALA 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wwb s ARG 82 N -0.77 1.26 -0.55 0.00 0.52 -1.26 -5.10 118.95 113.05 2wwb s ARG 82 Ca 0.64 -1.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.23 2wwb s ARG 82 Cb -0.59 0.14 0.18 0.00 0.52 0.00 0.00 34.95 35.21 2wwb s ARG 82 CO 0.52 -0.37 0.46 -2.67 0.02 0.00 0.00 175.30 173.26 2wwb n TRP 83 N -0.32 1.27 -3.25 -0.53 2.14 -1.26 -4.05 117.44 111.43 2wwb n TRP 83 Ca 0.02 -3.82 -0.46 0.00 2.07 0.00 0.00 57.50 55.31 2wwb n TRP 83 Cb 0.66 -0.23 -0.05 0.00 -0.81 0.00 0.00 31.31 30.88 2wwb n TRP 83 CO 0.00 0.00 0.00 -1.25 2.07 0.00 0.00 177.69 178.51 2wwb s PRO 84 N -0.91 3.02 0.06 -2.67 0.04 -1.26 -4.86 135.00 128.42 2wwb s PRO 84 Ca 0.30 -1.61 0.24 0.00 0.04 0.00 0.00 61.00 59.97 2wwb s PRO 84 Cb 0.03 -4.30 0.98 0.00 0.04 0.00 0.00 34.50 31.25 2wwb s PRO 84 CO -0.16 -1.39 1.76 0.00 0.04 0.00 0.00 177.00 177.25 2wwb n ALA 85 N 5.54 2.09 -0.15 8.56 0.00 -1.26 -3.19 120.51 132.09 2wwb n ALA 85 Ca -0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 2wwb n ALA 85 Cb 0.41 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 2wwb n ALA 85 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wwb h LYS 86 N 0.00 0.64 0.00 0.00 1.63 -2.01 -2.39 116.57 114.44 2wwb h LYS 86 Ca 0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2wwb h LYS 86 Cb 0.46 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2wwb h LYS 86 CO 0.00 0.60 -0.17 0.77 -3.45 0.00 0.00 179.45 177.19 2wwb h SER 87 N 0.55 0.00 -0.00 4.20 0.02 -1.95 -3.19 113.55 113.17 2wwb h SER 87 Ca 0.14 -0.04 -0.23 0.00 -0.84 0.00 0.00 61.79 60.82 2wwb h SER 87 Cb 0.20 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.75 2wwb h SER 87 CO -0.01 0.02 -0.87 0.58 -1.14 0.00 0.00 176.83 175.41 2wwb h VAL 88 N 0.00 1.30 -0.55 2.27 2.07 -1.57 -2.65 116.25 117.11 2wwb h VAL 88 Ca 0.00 -2.12 -0.06 0.00 0.82 0.00 0.00 66.70 65.33 2wwb h VAL 88 Cb 0.80 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2wwb h VAL 88 CO 0.00 0.66 0.09 0.50 0.02 0.00 0.00 177.57 178.84 2wwb h LYS 89 N 0.43 0.88 -0.24 1.57 3.64 -1.42 -1.27 116.57 120.16 2wwb h LYS 89 Ca -0.08 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.07 2wwb h LYS 89 Cb 1.50 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 2wwb h LYS 89 CO 0.17 0.82 0.05 0.35 -2.27 0.00 0.00 179.45 178.57 2wwb h PHE 90 N 0.84 0.41 0.00 1.91 3.57 -1.56 -2.45 116.94 119.67 2wwb h PHE 90 Ca 0.17 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 2wwb h PHE 90 Cb 0.37 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2wwb h PHE 90 CO 0.02 0.50 -0.77 0.28 -2.23 0.00 0.00 178.31 176.11 2wwb h VAL 91 N 0.21 1.45 -0.39 1.41 2.07 -1.34 -2.14 116.25 117.52 2wwb h VAL 91 Ca 0.07 -2.73 -0.07 0.00 0.82 0.00 0.00 66.70 64.79 2wwb h VAL 91 Cb 0.30 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2wwb h VAL 91 CO 0.00 0.75 -0.06 1.56 0.02 0.00 0.00 177.57 179.84 2wwb h GLN 92 N 0.00 0.66 0.00 1.57 1.08 -1.25 -0.67 115.11 116.50 2wwb h GLN 92 Ca -0.01 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 56.89 2wwb h GLN 92 Cb 1.45 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.79 2wwb h GLN 92 CO 0.10 0.72 -0.54 0.78 -0.95 0.00 0.00 178.83 178.94 2wwb h GLY 93 N 0.95 0.00 0.89 3.46 0.00 -1.16 -1.85 103.07 105.35 2wwb h GLY 93 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 2wwb h GLY 93 CO 0.03 0.00 -0.43 -2.00 0.00 0.00 0.00 176.54 174.13 2wwb h LEU 94 N 0.00 0.63 -0.60 3.11 6.46 -1.07 -3.20 115.31 120.64 2wwb h LEU 94 Ca -0.01 -0.60 -0.14 0.00 -0.12 0.00 0.00 57.88 57.02 2wwb h LEU 94 Cb 1.00 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 2wwb h LEU 94 CO 0.07 1.11 -0.36 -0.07 -0.62 0.00 0.00 178.44 178.57 2wwb h LEU 95 N 0.18 0.75 -0.54 2.25 3.38 -1.03 -1.62 115.31 118.67 2wwb h LEU 95 Ca -0.01 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 2wwb h LEU 95 Cb 1.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2wwb h LEU 95 CO 0.09 1.03 -0.49 0.06 0.09 0.00 0.00 178.44 179.23 2wwb h GLN 96 N 0.59 0.61 -0.48 1.13 3.07 -1.44 -0.33 115.11 118.26 2wwb h GLN 96 Ca 0.06 -0.36 -0.12 0.00 0.09 0.00 0.00 58.65 58.32 2wwb h GLN 96 Cb 0.89 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.47 2wwb h GLN 96 CO 0.08 0.96 -0.16 -0.97 0.09 0.00 0.00 178.83 178.83 2wwb h ASN 97 N 0.48 0.98 -0.30 0.06 -0.73 -1.54 -2.33 115.58 112.20 2wwb h ASN 97 Ca 0.02 -0.38 -0.08 0.00 1.87 0.00 0.00 56.30 57.74 2wwb h ASN 97 Cb 1.03 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.33 2wwb h ASN 97 CO 0.10 1.13 -0.08 0.00 -0.37 0.00 0.00 177.43 178.21 2wwb h ALA 98 N 0.88 1.11 0.00 1.57 0.00 -1.11 -1.25 119.26 120.45 2wwb h ALA 98 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wwb h ALA 98 Cb 0.73 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wwb h ALA 98 CO 0.06 0.56 -0.19 0.00 0.00 0.00 0.00 179.25 179.67 2wwb h ALA 99 N 1.28 0.90 0.04 0.00 0.00 -1.03 -1.28 119.26 119.16 2wwb h ALA 99 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.72 2wwb h ALA 99 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2wwb h ALA 99 CO 0.03 0.00 -1.74 0.00 0.00 0.00 0.00 179.25 177.54 2wwb h ALA 100 N 2.12 0.64 -0.26 0.00 0.00 -1.19 -2.90 119.26 117.68 2wwb h ALA 100 Ca 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 54.91 53.39 2wwb h ALA 100 Cb 0.94 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2wwb h ALA 100 CO 0.00 1.48 -0.34 -0.91 0.00 0.00 0.00 179.25 179.48 2wwb h ASN 101 N 0.02 0.57 -0.74 0.00 2.35 -1.27 -2.60 115.58 113.91 2wwb h ASN 101 Ca -0.30 -0.23 -0.46 0.00 -0.55 0.00 0.00 56.30 54.75 2wwb h ASN 101 Cb 2.01 -0.16 -0.19 0.00 0.05 0.00 0.00 38.32 40.03 2wwb h ASN 101 CO 0.09 0.87 0.58 0.00 -1.65 0.00 0.00 177.43 177.31 2wwb n ALA 102 N -2.50 5.66 0.00 -0.83 0.00 -0.49 -3.49 120.51 118.87 2wwb n ALA 102 Ca -0.01 -2.42 0.00 0.00 0.00 0.00 0.00 53.44 51.01 2wwb n ALA 102 Cb 0.47 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2wwb n ALA 102 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wwb n GLU 103 N -0.02 2.06 -0.14 0.00 4.07 -0.98 -4.75 120.64 120.87 2wwb n GLU 103 Ca 0.43 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.64 2wwb n GLU 103 Cb 0.59 -0.20 0.27 0.00 -0.06 0.00 0.00 31.44 32.04 2wwb n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wwb n ALA 104 N -0.19 2.46 -0.02 4.31 0.00 -1.20 -4.87 120.51 121.00 2wwb n ALA 104 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 2wwb n ALA 104 Cb 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 2wwb n ALA 104 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wwb h LYS 105 N 3.55 0.10 -0.02 0.00 -0.00 -1.86 -3.48 116.57 114.86 2wwb h LYS 105 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.61 2wwb h LYS 105 Cb 0.78 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.00 2wwb h LYS 105 CO 0.00 0.43 -0.47 0.41 -0.00 0.00 0.00 179.45 179.82 2wwb n GLY 106 N -0.13 0.03 0.00 0.07 0.00 -1.26 -5.07 105.19 98.82 2wwb n GLY 106 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2wwb n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wwb n LEU 107 N -0.03 0.00 -1.27 0.99 4.32 -1.26 -5.01 117.00 114.74 2wwb n LEU 107 Ca 0.09 0.00 0.16 0.00 -0.02 0.00 0.00 56.01 56.25 2wwb n LEU 107 Cb 0.47 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.21 2wwb n LEU 107 CO 0.28 0.00 -0.40 -0.90 -1.22 0.00 0.00 177.39 175.15 2wwb n ASP 108 N 0.00 -7.64 0.00 -1.43 5.68 -1.26 -5.08 116.55 106.82 2wwb n ASP 108 Ca 0.00 0.90 0.00 0.00 -0.50 0.00 0.00 54.79 55.19 2wwb n ASP 108 Cb 0.00 -4.11 0.00 0.00 -1.14 0.00 0.00 41.12 35.87 2wwb n ASP 108 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wwb n ALA 109 N -3.22 0.58 -0.06 2.12 0.00 -1.26 -4.83 120.51 113.84 2wwb n ALA 109 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 2wwb n ALA 109 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 2wwb n ALA 109 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wwb h THR 110 N 0.00 0.16 0.00 0.00 1.35 -2.05 -3.47 112.91 108.91 2wwb h THR 110 Ca 0.00 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 2wwb h THR 110 Cb 0.00 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 2wwb h THR 110 CO 0.00 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 175.61 2wwb n LYS 111 N -4.74 0.00 0.00 4.72 4.01 -1.26 -4.91 118.16 115.98 2wwb n LYS 111 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 2wwb n LYS 111 Cb 0.09 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.61 2wwb n LYS 111 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wwb n LEU 112 N 0.00 0.00 0.00 -0.35 7.99 -1.22 -4.44 117.00 118.98 2wwb n LEU 112 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2wwb n LEU 112 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2wwb n LEU 112 CO 0.00 -1.29 0.00 0.00 -1.51 0.00 0.00 177.39 174.59 2wwb n TYR 113 N -1.70 0.00 -2.24 -1.77 9.36 -1.24 -2.93 117.16 116.65 2wwb n TYR 113 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 2wwb n TYR 113 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 2wwb n TYR 113 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wwb s VAL 114 N 0.00 3.83 -0.18 2.97 1.01 -1.24 -2.99 120.40 123.80 2wwb s VAL 114 Ca 0.00 0.91 0.18 0.00 0.00 0.00 0.00 61.98 63.07 2wwb s VAL 114 Cb 0.00 -3.93 -0.26 0.00 0.00 0.00 0.00 36.38 32.19 2wwb s VAL 114 CO 0.00 -0.46 0.12 -0.24 0.00 0.00 0.00 175.10 174.51 2wwb n SER 115 N 8.55 0.03 -3.57 3.32 2.88 -0.82 -4.89 113.62 119.11 2wwb n SER 115 Ca 0.18 0.01 -0.17 0.00 -1.33 0.00 0.00 58.87 57.56 2wwb n SER 115 Cb 0.46 1.04 -0.07 0.00 -0.75 0.00 0.00 64.21 64.89 2wwb n SER 115 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2wwb s HIS 116 N -2.57 -0.58 -0.16 0.66 2.46 -0.99 -5.01 115.29 109.10 2wwb s HIS 116 Ca -0.10 1.02 -0.11 0.00 0.47 0.00 0.00 55.06 56.34 2wwb s HIS 116 Cb 0.07 0.34 0.05 0.00 -0.13 0.00 0.00 32.58 32.91 2wwb s HIS 116 CO 0.84 -0.55 0.41 -1.50 -2.47 0.00 0.00 174.74 171.47 2wwb s ILE 117 N -1.09 -0.01 -0.12 0.89 2.07 -1.26 -1.86 121.20 119.81 2wwb s ILE 117 Ca -0.11 0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.08 2wwb s ILE 117 Cb -0.01 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 42.01 2wwb s ILE 117 CO 0.08 0.02 0.32 0.00 -1.91 0.00 0.00 174.94 173.46 2wwb s GLN 118 N 0.90 0.38 -0.13 3.50 -2.07 -0.71 -4.89 119.66 116.65 2wwb s GLN 118 Ca -0.06 0.44 -0.01 0.00 -1.82 0.00 0.00 55.36 53.91 2wwb s GLN 118 Cb -0.06 0.18 -0.02 0.00 -1.09 0.00 0.00 33.01 32.02 2wwb s GLN 118 CO -0.07 -0.05 -0.08 0.54 -1.32 0.00 0.00 175.29 174.31 2wwb s VAL 119 N 0.15 3.50 -0.07 3.63 0.11 -1.26 -1.17 120.40 125.29 2wwb s VAL 119 Ca -0.00 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 2wwb s VAL 119 Cb -0.02 -2.49 -0.02 0.00 -1.53 0.00 0.00 36.38 32.32 2wwb s VAL 119 CO 0.00 0.53 -0.13 0.20 -3.33 0.00 0.00 175.10 172.38 2wwb s ASN 120 N 0.10 4.14 -0.44 3.54 -0.87 -0.38 -4.99 114.94 116.04 2wwb s ASN 120 Ca -0.03 -0.19 -0.28 0.00 -1.57 0.00 0.00 52.86 50.79 2wwb s ASN 120 Cb -0.14 -1.06 -0.01 0.00 -0.02 0.00 0.00 41.25 40.02 2wwb s ASN 120 CO 0.04 0.31 1.65 -1.58 -2.57 0.00 0.00 177.10 174.94 2wwb s GLN 121 N -0.51 3.27 -0.12 -0.60 0.74 -1.26 -1.76 119.66 119.40 2wwb s GLN 121 Ca 0.07 1.00 -0.28 0.00 0.05 0.00 0.00 55.36 56.20 2wwb s GLN 121 Cb -0.12 -4.17 -0.26 0.00 1.10 0.00 0.00 33.01 29.56 2wwb s GLN 121 CO 0.02 -1.95 0.81 0.00 -0.55 0.00 0.00 175.29 173.62 2wwb h ALA 122 N 12.38 -0.01 -3.00 1.58 0.00 -1.89 -3.47 119.26 124.86 2wwb h ALA 122 Ca -0.30 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2wwb h ALA 122 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2wwb h ALA 122 CO 1.10 0.01 0.00 -0.35 0.00 0.00 0.00 179.25 180.02 2wwb n PRO 123 N -4.59 0.00 -4.84 0.00 -0.04 -1.26 -4.99 135.00 119.28 2wwb n PRO 123 Ca -0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.09 2wwb n PRO 123 Cb 0.49 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.79 2wwb n PRO 123 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wwb s LYS 124 N 2.40 2.08 0.38 0.54 3.01 -1.26 -4.34 119.74 122.54 2wwb s LYS 124 Ca 0.00 -0.60 -0.27 0.00 -1.01 0.00 0.00 55.97 54.08 2wwb s LYS 124 Cb 0.00 -1.69 -0.10 0.00 -1.01 0.00 0.00 37.83 35.03 2wwb s LYS 124 CO 0.00 0.14 1.35 -0.65 0.51 0.00 0.00 175.35 176.71 2wwb s GLN 125 N 0.36 4.11 -0.14 1.68 -0.21 -1.15 -4.95 119.66 119.36 2wwb s GLN 125 Ca -0.12 2.29 -0.00 0.00 0.02 0.00 0.00 55.36 57.55 2wwb s GLN 125 Cb -0.15 -2.90 0.03 0.00 1.00 0.00 0.00 33.01 30.99 2wwb s GLN 125 CO 0.05 -0.42 -0.08 -0.98 -2.12 0.00 0.00 175.29 171.73 2wwb s ARG 126 N -2.07 1.63 0.00 2.91 1.70 -1.26 -2.21 118.95 119.65 2wwb s ARG 126 Ca 0.54 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.38 2wwb s ARG 126 Cb -0.41 -1.85 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 2wwb s ARG 126 CO 0.54 -0.33 0.00 0.54 -1.08 0.00 0.00 175.30 174.97 2wwb n ARG 127 N 4.88 0.46 -4.09 3.89 1.74 -0.16 -5.02 116.66 118.37 2wwb n ARG 127 Ca -0.13 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.87 2wwb n ARG 127 Cb 0.49 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.83 2wwb n ARG 127 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wwb s ARG 128 N -1.86 0.60 -0.05 5.56 0.52 -1.26 -1.63 118.95 120.83 2wwb s ARG 128 Ca 0.00 -1.17 -0.00 0.00 -0.52 0.00 0.00 55.73 54.03 2wwb s ARG 128 Cb 0.00 0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.66 2wwb s ARG 128 CO 0.00 -0.10 -0.01 -0.08 0.02 0.00 0.00 175.30 175.13 2wwb s THR 129 N -3.66 0.38 0.51 0.02 -1.32 -0.39 -4.67 115.64 106.52 2wwb s THR 129 Ca 0.05 0.04 -0.21 0.00 -1.21 0.00 0.00 61.69 60.36 2wwb s THR 129 Cb 0.06 -0.49 -0.06 0.00 -1.51 0.00 0.00 72.50 70.50 2wwb s THR 129 CO -0.09 0.23 1.21 -0.31 -2.21 0.00 0.00 174.62 173.45 2wwb s TYR 130 N 1.46 2.63 0.00 9.09 2.02 -1.26 -1.74 117.35 129.56 2wwb s TYR 130 Ca -0.03 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.17 2wwb s TYR 130 Cb -0.13 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 37.95 2wwb s TYR 130 CO -0.03 -1.95 0.00 -2.13 -1.57 0.00 0.00 175.55 169.87 2wwb n ARG 131 N -0.91 0.00 -3.83 -0.62 0.63 -1.25 -4.88 116.66 105.79 2wwb n ARG 131 Ca 0.10 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.84 2wwb n ARG 131 Cb 0.48 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.22 2wwb n ARG 131 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wwb s ALA 132 N -1.28 0.38 -1.34 5.13 0.00 -1.15 -4.91 121.76 118.58 2wwb s ALA 132 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 2wwb s ALA 132 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2wwb s ALA 132 CO 0.00 -0.25 0.95 0.72 0.00 0.00 0.00 175.76 177.18 2wwb n HIS 133 N 4.61 -2.29 -1.00 0.00 8.25 -1.26 -1.91 115.22 121.62 2wwb n HIS 133 Ca -0.17 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 2wwb n HIS 133 Cb 0.50 -4.64 0.00 0.00 1.12 0.00 0.00 29.99 26.97 2wwb n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wwb n GLY 134 N -1.58 0.76 3.55 -1.41 0.00 -1.26 -5.01 105.19 100.23 2wwb n GLY 134 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2wwb n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwb s ARG 135 N -0.00 3.80 -0.04 1.61 0.52 -0.80 -5.08 118.95 118.95 2wwb s ARG 135 Ca 0.00 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 2wwb s ARG 135 Cb 0.00 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2wwb s ARG 135 CO 0.00 0.19 -0.12 -1.50 0.02 0.00 0.00 175.30 173.89 2wwb s ILE 136 N 0.55 1.07 0.39 1.52 2.07 -1.26 -2.92 121.20 122.62 2wwb s ILE 136 Ca 0.00 -0.50 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 2wwb s ILE 136 Cb -0.14 -0.94 -0.01 0.00 0.13 0.00 0.00 42.46 41.50 2wwb s ILE 136 CO 0.02 0.32 0.58 0.21 -1.91 0.00 0.00 174.94 174.16 2wwb s ASN 137 N 0.25 5.97 0.46 4.50 2.47 -0.71 -4.91 114.94 122.97 2wwb s ASN 137 Ca -0.06 0.17 -0.23 0.00 0.42 0.00 0.00 52.86 53.16 2wwb s ASN 137 Cb -0.11 -1.55 -0.08 0.00 -1.45 0.00 0.00 41.25 38.07 2wwb s ASN 137 CO 0.02 -0.53 1.14 -0.54 -3.72 0.00 0.00 177.10 173.47 2wwb s LYS 138 N -4.38 3.79 -0.14 0.43 3.01 -1.26 -1.26 119.74 119.94 2wwb s LYS 138 Ca 0.45 1.70 -0.02 0.00 -1.01 0.00 0.00 55.97 57.09 2wwb s LYS 138 Cb -0.10 -2.38 0.04 0.00 -1.01 0.00 0.00 37.83 34.39 2wwb s LYS 138 CO 0.35 -0.50 0.01 -0.47 0.51 0.00 0.00 175.35 175.24 2wwb s TYR 139 N -1.60 0.96 0.03 3.18 6.04 -0.65 -4.56 117.35 120.75 2wwb s TYR 139 Ca 0.64 -0.58 -0.14 0.00 0.04 0.00 0.00 57.07 57.02 2wwb s TYR 139 Cb -0.26 -0.97 -0.06 0.00 -1.04 0.00 0.00 41.96 39.63 2wwb s TYR 139 CO 0.32 -0.49 0.42 -1.83 -1.54 0.00 0.00 175.55 172.44 2wwb s GLU 140 N 1.88 3.90 -0.32 4.97 -1.05 -1.26 -0.99 118.70 125.84 2wwb s GLU 140 Ca 0.02 0.39 -0.02 0.00 -0.15 0.00 0.00 54.97 55.20 2wwb s GLU 140 Cb -0.15 -3.16 0.06 0.00 -0.44 0.00 0.00 34.13 30.44 2wwb s GLU 140 CO -0.07 0.65 0.03 -1.12 0.95 0.00 0.00 175.26 175.70 2wwb s SER 141 N -1.26 4.97 0.12 0.83 0.01 -0.94 -4.99 113.70 112.45 2wwb s SER 141 Ca 0.27 -1.35 -0.30 0.00 1.31 0.00 0.00 55.95 55.87 2wwb s SER 141 Cb -0.16 -1.74 -0.07 0.00 0.21 0.00 0.00 66.02 64.26 2wwb s SER 141 CO 0.15 -0.30 1.24 -0.44 0.41 0.00 0.00 173.24 174.30 2wwb s SER 142 N 1.32 7.02 0.25 2.44 0.01 -1.26 -2.92 113.70 120.57 2wwb s SER 142 Ca -0.03 2.17 -0.04 0.00 1.31 0.00 0.00 55.95 59.36 2wwb s SER 142 Cb -0.20 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.42 2wwb s SER 142 CO -0.01 -0.47 0.31 -2.16 0.41 0.00 0.00 173.24 171.32 2wwb s PRO 143 N 0.54 1.48 0.02 12.44 0.04 -1.26 -2.04 135.00 146.21 2wwb s PRO 143 Ca 0.58 -1.57 -0.28 0.00 0.04 0.00 0.00 61.00 59.77 2wwb s PRO 143 Cb -0.32 0.37 0.10 0.00 0.04 0.00 0.00 34.50 34.68 2wwb s PRO 143 CO 0.33 -0.56 0.83 -1.12 0.04 0.00 0.00 177.00 176.52 2wwb s SER 144 N -3.15 -0.41 0.15 6.66 0.01 -0.15 -3.13 113.70 113.69 2wwb s SER 144 Ca 0.33 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.63 2wwb s SER 144 Cb 0.03 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2wwb s SER 144 CO 0.14 -0.67 0.31 -2.28 0.41 0.00 0.00 173.24 171.14 2wwb s HIS 145 N -3.11 3.49 0.08 2.43 2.46 -0.73 -1.97 115.29 117.94 2wwb s HIS 145 Ca 0.04 0.21 -0.20 0.00 0.47 0.00 0.00 55.06 55.58 2wwb s HIS 145 Cb -0.01 -1.74 0.04 0.00 -0.13 0.00 0.00 32.58 30.74 2wwb s HIS 145 CO -0.09 0.48 0.47 -1.50 -2.47 0.00 0.00 174.74 171.63 2wwb s ILE 146 N -1.75 0.04 0.00 0.89 2.07 -0.92 -1.25 121.20 120.29 2wwb s ILE 146 Ca 0.36 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 2wwb s ILE 146 Cb -0.11 -1.02 -0.00 0.00 0.13 0.00 0.00 42.46 41.45 2wwb s ILE 146 CO 0.28 -0.20 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.48 2wwb s GLU 147 N -2.93 0.22 -0.04 3.50 2.02 -0.31 -1.31 118.70 119.84 2wwb s GLU 147 Ca -0.03 -0.13 -0.03 0.00 0.02 0.00 0.00 54.97 54.81 2wwb s GLU 147 Cb -0.00 -0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.06 2wwb s GLU 147 CO -0.06 0.05 0.10 -1.17 0.02 0.00 0.00 175.26 174.20 2wwb s LEU 148 N -0.16 1.30 -0.09 1.80 2.96 -0.24 -1.73 118.68 122.51 2wwb s LEU 148 Ca -0.00 0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 2wwb s LEU 148 Cb -0.02 0.27 0.03 0.00 0.50 0.00 0.00 46.19 46.98 2wwb s LEU 148 CO -0.00 -0.08 0.24 0.68 -1.32 0.00 0.00 176.35 175.87 2wwb s VAL 149 N 0.53 -0.01 0.04 1.68 -7.23 -0.78 -1.36 120.40 113.27 2wwb s VAL 149 Ca -0.04 0.04 0.04 0.00 -1.81 0.00 0.00 61.98 60.21 2wwb s VAL 149 Cb -0.06 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.51 2wwb s VAL 149 CO -0.02 0.02 -0.13 0.68 -0.31 0.00 0.00 175.10 175.34 2wwb s VAL 150 N 0.44 1.01 0.15 1.32 -7.23 -0.87 -1.95 120.40 113.26 2wwb s VAL 150 Ca -0.03 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.19 2wwb s VAL 150 Cb -0.04 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 2wwb s VAL 150 CO -0.02 -0.06 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.71 2wwb s THR 151 N -0.93 1.23 0.44 5.32 2.01 -1.16 -2.13 115.64 120.43 2wwb s THR 151 Ca -0.00 -2.03 -0.25 0.00 0.31 0.00 0.00 61.69 59.72 2wwb s THR 151 Cb -0.08 -1.82 -0.08 0.00 0.01 0.00 0.00 72.50 70.53 2wwb s THR 151 CO 0.01 -0.70 1.37 -1.61 -0.69 0.00 0.00 174.62 173.00 2wwb s GLU 152 N -3.60 3.76 0.00 4.92 2.02 -0.85 -3.43 118.70 121.52 2wwb s GLU 152 Ca 0.16 2.28 0.01 0.00 0.02 0.00 0.00 54.97 57.44 2wwb s GLU 152 Cb 0.01 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.59 2wwb s GLU 152 CO 0.01 -0.71 0.54 1.63 0.02 0.00 0.00 175.26 176.75