#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4u s SER 2 N 0.00 0.15 -0.03 1.61 0.15 -1.26 -5.04 113.70 109.28 1x4u s SER 2 Ca 0.00 0.56 -0.22 0.00 0.70 0.00 0.00 55.95 57.00 1x4u s SER 2 Cb 0.00 0.58 -0.27 0.00 -1.71 0.00 0.00 66.02 64.62 1x4u s SER 2 CO 0.00 -0.21 0.99 -1.28 1.20 0.00 0.00 173.24 173.94 1x4u h SER 3 N 7.91 0.45 0.00 5.45 0.87 -2.15 -3.50 113.55 122.59 1x4u h SER 3 Ca -0.23 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.47 1x4u h SER 3 Cb 1.13 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1x4u h SER 3 CO 0.22 1.26 0.00 0.61 -0.53 0.00 0.00 176.83 178.39 1x4u n GLY 4 N 1.35 2.73 3.33 5.77 0.00 -1.26 -5.17 105.19 111.94 1x4u n GLY 4 Ca -0.12 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1x4u n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4u s SER 5 N 0.00 1.52 -0.05 1.61 0.01 -1.26 -5.18 113.70 110.35 1x4u s SER 5 Ca 0.00 -1.58 -0.31 0.00 1.31 0.00 0.00 55.95 55.37 1x4u s SER 5 Cb 0.00 0.42 0.12 0.00 0.21 0.00 0.00 66.02 66.76 1x4u s SER 5 CO 0.00 -0.91 1.17 -0.94 0.41 0.00 0.00 173.24 172.97 1x4u s SER 6 N -3.37 -0.14 0.00 2.44 1.04 -1.26 -5.13 113.70 107.28 1x4u s SER 6 Ca 0.36 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1x4u s SER 6 Cb 0.05 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1x4u s SER 6 CO 0.18 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1x4u n GLY 7 N -0.32 0.87 3.46 7.32 0.00 -1.26 -5.17 105.19 110.10 1x4u n GLY 7 Ca -0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 1x4u n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x4u s ARG 8 N 0.00 0.48 -0.08 1.61 3.03 -1.26 -5.16 118.95 117.57 1x4u s ARG 8 Ca 0.00 1.21 -0.28 0.00 2.03 0.00 0.00 55.73 58.68 1x4u s ARG 8 Cb 0.00 0.50 0.06 0.00 -1.03 0.00 0.00 34.95 34.48 1x4u s ARG 8 CO 0.00 -0.21 0.64 0.71 -1.13 0.00 0.00 175.30 175.31 1x4u s TYR 9 N 2.51 -0.62 0.24 5.89 1.51 -1.26 -5.18 117.35 120.44 1x4u s TYR 9 Ca -0.05 1.14 -0.04 0.00 -1.01 0.00 0.00 57.07 57.11 1x4u s TYR 9 Cb -0.11 0.36 0.06 0.00 -0.11 0.00 0.00 41.96 42.16 1x4u s TYR 9 CO -0.16 -0.55 0.22 -0.35 -1.11 0.00 0.00 175.55 173.59 1x4u n PRO 10 N 1.20 -1.45 -2.91 -1.71 -0.04 -1.26 -4.94 135.00 123.89 1x4u n PRO 10 Ca -0.19 -0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 62.50 1x4u n PRO 10 Cb 0.57 -0.32 -0.04 0.00 -0.04 0.00 0.00 33.50 33.67 1x4u n PRO 10 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1x4u s THR 11 N -1.39 4.48 -1.21 0.52 -4.23 -1.26 -4.96 115.64 107.58 1x4u s THR 11 Ca 0.14 -0.72 -0.16 0.00 -1.18 0.00 0.00 61.69 59.76 1x4u s THR 11 Cb -0.01 -4.68 0.12 0.00 1.34 0.00 0.00 72.50 69.26 1x4u s THR 11 CO 0.11 -1.43 1.54 0.54 -0.54 0.00 0.00 174.62 174.84 1x4u s ASN 12 N 3.67 6.91 -0.29 3.99 6.03 -1.26 -4.86 114.94 129.13 1x4u s ASN 12 Ca 0.23 -2.61 -0.16 0.00 -1.03 0.00 0.00 52.86 49.29 1x4u s ASN 12 Cb -0.15 -2.48 0.17 0.00 -3.03 0.00 0.00 41.25 35.76 1x4u s ASN 12 CO 0.05 -0.99 1.09 0.54 -2.03 0.00 0.00 177.10 175.77 1x4u s ASN 13 N 3.59 -0.32 0.53 3.54 4.22 -1.26 -5.18 114.94 120.05 1x4u s ASN 13 Ca 0.47 0.51 0.04 0.00 -2.14 0.00 0.00 52.86 51.74 1x4u s ASN 13 Cb -0.00 1.13 0.01 0.00 1.28 0.00 0.00 41.25 43.67 1x4u s ASN 13 CO 0.02 -0.08 0.23 0.72 -2.04 0.00 0.00 177.10 175.95 1x4u s PHE 14 N 1.21 1.75 0.00 1.54 -0.12 -1.26 -4.96 117.98 116.14 1x4u s PHE 14 Ca -0.09 -0.88 0.00 0.00 -0.05 0.00 0.00 56.93 55.91 1x4u s PHE 14 Cb -0.03 -1.79 0.00 0.00 -0.63 0.00 0.00 43.02 40.57 1x4u s PHE 14 CO -0.13 -0.16 0.00 0.41 -0.05 0.00 0.00 175.22 175.29 1x4u n GLY 15 N -1.54 2.67 3.72 1.99 0.00 -1.26 -5.14 105.19 105.62 1x4u n GLY 15 Ca -0.09 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1x4u n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 16 N 0.00 4.10 0.71 1.61 0.02 -1.26 -4.34 114.94 115.78 1x4u s ASN 16 Ca 0.00 -1.46 -0.16 0.00 -1.02 0.00 0.00 52.86 50.22 1x4u s ASN 16 Cb 0.00 0.07 0.03 0.00 0.02 0.00 0.00 41.25 41.37 1x4u s ASN 16 CO 0.00 -0.69 1.22 0.00 0.02 0.00 0.00 177.10 177.66 1x4u n THR 18 N -2.52 3.04 0.06 0.00 -1.04 -0.87 -3.29 114.28 109.67 1x4u n THR 18 Ca 0.14 -1.75 0.00 0.00 -2.04 0.00 0.00 64.05 60.40 1x4u n THR 18 Cb 0.50 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1x4u n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x4u n GLY 19 N -0.74 -0.14 0.29 3.41 0.00 -1.26 -4.91 105.19 101.85 1x4u n GLY 19 Ca 0.51 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.60 1x4u n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u n SER 21 N -0.29 -6.09 -4.57 0.00 7.64 -1.21 -4.97 113.62 104.14 1x4u n SER 21 Ca 0.06 -0.47 -0.39 0.00 1.01 0.00 0.00 58.87 59.08 1x4u n SER 21 Cb 0.29 -4.74 -0.11 0.00 -1.01 0.00 0.00 64.21 58.65 1x4u n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4u s ALA 22 N -3.27 3.52 0.49 -0.43 0.00 -1.26 -4.71 121.76 116.10 1x4u s ALA 22 Ca 0.51 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1x4u s ALA 22 Cb -0.22 -2.58 -0.07 0.00 0.00 0.00 0.00 23.12 20.25 1x4u s ALA 22 CO 0.63 -0.71 1.30 0.99 0.00 0.00 0.00 175.76 177.97 1x4u s THR 23 N 1.80 2.46 -0.59 0.00 2.01 -1.26 -2.72 115.64 117.35 1x4u s THR 23 Ca 0.08 0.36 -0.19 0.00 0.31 0.00 0.00 61.69 62.25 1x4u s THR 23 Cb -0.16 -3.19 0.09 0.00 0.01 0.00 0.00 72.50 69.25 1x4u s THR 23 CO 0.11 0.01 0.73 -0.36 -0.69 0.00 0.00 174.62 174.42 1x4u s PHE 24 N -1.35 2.96 -0.02 4.92 0.08 -1.26 -4.74 117.98 118.57 1x4u s PHE 24 Ca 0.66 -0.84 -0.03 0.00 0.12 0.00 0.00 56.93 56.84 1x4u s PHE 24 Cb -0.37 -3.98 -0.01 0.00 -0.57 0.00 0.00 43.02 38.09 1x4u s PHE 24 CO 0.45 -1.30 -0.05 0.45 -0.10 0.00 0.00 175.22 174.67 1x4u n SER 25 N 6.49 0.36 0.08 1.36 2.88 -1.22 -4.87 113.62 118.70 1x4u n SER 25 Ca -0.08 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1x4u n SER 25 Cb 0.43 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1x4u n SER 25 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1x4u n VAL 26 N -2.85 0.26 0.47 2.46 0.31 -1.26 -4.93 118.33 112.78 1x4u n VAL 26 Ca -0.02 0.08 -0.19 0.00 -0.01 0.00 0.00 64.34 64.20 1x4u n VAL 26 Cb 0.07 -0.82 -0.09 0.00 -0.91 0.00 0.00 33.84 32.09 1x4u n VAL 26 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x4u h LEU 27 N 0.00 -1.00 -9.38 7.52 4.07 -1.96 -3.41 115.31 111.15 1x4u h LEU 27 Ca 0.00 0.03 -0.56 0.00 0.08 0.00 0.00 57.88 57.43 1x4u h LEU 27 Cb 0.10 0.26 -0.05 0.00 1.08 0.00 0.00 40.66 42.05 1x4u h LEU 27 CO 0.00 -0.69 0.13 -0.54 -1.08 0.00 0.00 178.44 176.26 1x4u s LYS 28 N -5.85 4.46 -0.23 1.13 1.02 -1.26 -4.90 119.74 114.11 1x4u s LYS 28 Ca -0.19 0.97 -0.04 0.00 0.02 0.00 0.00 55.97 56.73 1x4u s LYS 28 Cb 0.02 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1x4u s LYS 28 CO 0.59 0.06 -0.02 -1.59 -0.92 0.00 0.00 175.35 173.46 1x4u s LYS 29 N 0.78 3.35 -0.89 1.68 -2.85 -1.26 -3.36 119.74 117.18 1x4u s LYS 29 Ca 0.40 -0.65 -0.28 0.00 -1.00 0.00 0.00 55.97 54.44 1x4u s LYS 29 Cb -0.18 -3.07 -0.20 0.00 -2.06 0.00 0.00 37.83 32.32 1x4u s LYS 29 CO 0.20 -0.23 2.59 -2.13 0.10 0.00 0.00 175.35 175.88 1x4u n ARG 30 N 4.81 0.22 -3.76 1.78 0.63 -1.26 -4.30 116.66 114.78 1x4u n ARG 30 Ca -0.18 -0.02 -0.21 0.00 -0.92 0.00 0.00 57.85 56.52 1x4u n ARG 30 Cb 0.50 -1.90 -0.01 0.00 0.45 0.00 0.00 32.46 31.50 1x4u n ARG 30 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x4u s ARG 31 N 8.68 3.37 -0.13 -0.14 0.52 0.12 -4.90 118.95 126.48 1x4u s ARG 31 Ca 1.27 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 55.75 1x4u s ARG 31 Cb -0.98 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 31.65 1x4u s ARG 31 CO 0.44 0.30 -0.16 -1.12 0.02 0.00 0.00 175.30 174.77 1x4u s SER 32 N -4.03 3.71 0.99 0.23 0.01 -1.26 -0.58 113.70 112.76 1x4u s SER 32 Ca 0.37 -0.41 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 1x4u s SER 32 Cb -0.09 -1.55 0.18 0.00 0.21 0.00 0.00 66.02 64.77 1x4u s SER 32 CO 0.31 0.15 1.09 0.00 0.41 0.00 0.00 173.24 175.19 1x4u n SER 34 N -4.33 0.58 0.00 0.00 2.88 -0.98 -3.71 113.62 108.05 1x4u n SER 34 Ca 0.07 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1x4u n SER 34 Cb 0.54 0.55 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 1x4u n SER 34 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x4u n ASN 35 N -2.91 0.00 0.18 -3.46 5.15 -1.26 -4.51 115.26 108.46 1x4u n ASN 35 Ca -0.35 0.15 0.02 0.00 -0.60 0.00 0.00 54.58 53.80 1x4u n ASN 35 Cb 1.11 -0.21 0.34 0.00 -0.53 0.00 0.00 39.78 40.49 1x4u n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x4u n GLY 37 N -0.33 0.27 3.96 0.00 0.00 -1.24 -4.99 105.19 102.85 1x4u n GLY 37 Ca -0.02 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1x4u n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 38 N -3.01 5.11 0.15 1.61 0.01 -1.26 -4.61 114.94 112.93 1x4u s ASN 38 Ca 0.18 -0.81 -0.26 0.00 -0.71 0.00 0.00 52.86 51.26 1x4u s ASN 38 Cb -0.08 -0.14 -0.07 0.00 0.41 0.00 0.00 41.25 41.36 1x4u s ASN 38 CO 0.23 -0.97 0.82 -0.94 -1.51 0.00 0.00 177.10 174.73 1x4u s SER 39 N -4.36 7.41 0.16 -1.22 1.04 -1.26 -0.55 113.70 114.92 1x4u s SER 39 Ca 0.51 1.67 -0.16 0.00 0.48 0.00 0.00 55.95 58.45 1x4u s SER 39 Cb -0.05 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.57 1x4u s SER 39 CO 0.31 0.14 0.45 -0.36 0.98 0.00 0.00 173.24 174.75 1x4u s PHE 40 N -0.83 -0.08 0.61 5.02 0.08 0.25 -2.05 117.98 120.98 1x4u s PHE 40 Ca 0.38 -0.25 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 1x4u s PHE 40 Cb -0.23 0.28 0.14 0.00 -0.57 0.00 0.00 43.02 42.64 1x4u s PHE 40 CO 0.27 -0.81 0.82 0.00 -0.10 0.00 0.00 175.22 175.40 1x4u n SER 42 N -3.55 1.04 -0.00 0.00 3.41 -1.26 -2.63 113.62 110.63 1x4u n SER 42 Ca 0.10 -1.81 0.01 0.00 -0.26 0.00 0.00 58.87 56.92 1x4u n SER 42 Cb 0.36 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1x4u n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4u n ARG 43 N -0.01 0.55 -0.05 4.33 1.74 -1.26 -4.66 116.66 117.30 1x4u n ARG 43 Ca 0.11 -0.02 -0.18 0.00 -0.77 0.00 0.00 57.85 56.98 1x4u n ARG 43 Cb 0.19 -1.07 -0.13 0.00 -1.02 0.00 0.00 32.46 30.43 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4u n SER 46 N 0.34 5.06 -4.16 0.00 2.88 -1.20 -4.44 113.62 112.10 1x4u n SER 46 Ca 0.38 -3.74 -0.33 0.00 -1.33 0.00 0.00 58.87 53.84 1x4u n SER 46 Cb 0.58 -0.43 -0.15 0.00 -0.75 0.00 0.00 64.21 63.45 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1x4u s PHE 47 N -3.60 2.90 -0.20 0.66 0.40 -1.13 -4.96 117.98 112.04 1x4u s PHE 47 Ca 0.51 -1.58 -0.24 0.00 -0.60 0.00 0.00 56.93 55.02 1x4u s PHE 47 Cb 0.41 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 1x4u s PHE 47 CO -0.05 -0.76 0.79 0.15 0.70 0.00 0.00 175.22 176.05 1x4u s LYS 48 N 1.31 4.23 -0.01 0.44 1.02 -1.25 -0.52 119.74 124.97 1x4u s LYS 48 Ca 0.03 0.91 -0.07 0.00 0.02 0.00 0.00 55.97 56.86 1x4u s LYS 48 Cb -0.14 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1x4u s LYS 48 CO -0.09 -0.39 0.14 0.14 -0.92 0.00 0.00 175.35 174.23 1x4u s VAL 49 N 2.39 0.07 0.19 3.17 -7.23 -0.23 -4.92 120.40 113.85 1x4u s VAL 49 Ca 0.35 -0.59 -0.30 0.00 -1.81 0.00 0.00 61.98 59.63 1x4u s VAL 49 Cb -0.16 -0.40 -0.09 0.00 0.56 0.00 0.00 36.38 36.29 1x4u s VAL 49 CO 0.10 -0.32 1.31 -2.16 -0.31 0.00 0.00 175.10 173.71 1x4u s PRO 50 N -1.16 4.39 -0.26 4.82 0.04 -1.26 -1.36 135.00 140.21 1x4u s PRO 50 Ca -0.13 2.05 0.02 0.00 0.04 0.00 0.00 61.00 62.98 1x4u s PRO 50 Cb -0.07 -3.20 0.38 0.00 0.04 0.00 0.00 34.50 31.65 1x4u s PRO 50 CO 0.01 -0.25 1.54 0.36 0.04 0.00 0.00 177.00 178.70 1x4u n LYS 51 N 2.67 1.72 -0.05 4.56 2.85 -1.24 -4.00 118.16 124.67 1x4u n LYS 51 Ca 0.06 -1.72 -0.08 0.00 -1.05 0.00 0.00 58.31 55.52 1x4u n LYS 51 Cb 0.43 -1.67 -0.04 0.00 -0.65 0.00 0.00 35.03 33.09 1x4u n LYS 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x4u n SER 52 N -0.42 2.60 -0.17 -5.58 2.88 -1.26 -4.68 113.62 106.99 1x4u n SER 52 Ca 0.34 -0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.78 1x4u n SER 52 Cb 1.15 -0.19 0.02 0.00 -0.75 0.00 0.00 64.21 64.44 1x4u n SER 52 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x4u h SER 53 N -0.10 1.01 -0.78 -3.46 0.87 -1.96 -3.17 113.55 105.96 1x4u h SER 53 Ca -0.23 -0.34 0.16 0.00 -1.23 0.00 0.00 61.79 60.15 1x4u h SER 53 Cb 1.31 -0.28 -0.15 0.00 -0.44 0.00 0.00 62.40 62.85 1x4u h SER 53 CO -0.07 1.14 -0.18 0.23 -0.53 0.00 0.00 176.83 177.42 1x4u n MET 54 N -4.14 -0.07 -3.63 2.24 2.00 -1.26 -4.64 117.12 107.62 1x4u n MET 54 Ca 0.01 1.22 -0.06 0.00 0.00 0.00 0.00 57.70 58.87 1x4u n MET 54 Cb 0.41 -1.83 -0.06 0.00 0.00 0.00 0.00 33.22 31.75 1x4u n MET 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1x4u s GLY 55 N -4.20 0.02 0.27 3.03 0.00 -1.20 -5.14 107.32 100.09 1x4u s GLY 55 Ca -0.12 2.77 -0.29 0.00 0.00 0.00 0.00 44.72 47.08 1x4u s GLY 55 CO 0.61 1.44 1.06 0.00 0.00 0.00 0.00 173.10 176.21 1x4u n ALA 56 N 1.18 -0.23 -3.67 3.20 0.00 -1.26 -4.82 120.51 114.90 1x4u n ALA 56 Ca -0.08 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 1x4u n ALA 56 Cb 0.57 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.98 1x4u n ALA 56 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x4u s THR 57 N -0.87 0.00 0.27 0.00 -1.32 -1.26 -5.14 115.64 107.31 1x4u s THR 57 Ca 0.61 -0.40 -0.19 0.00 -1.21 0.00 0.00 61.69 60.50 1x4u s THR 57 Cb -0.72 -1.76 -0.13 0.00 -1.51 0.00 0.00 72.50 68.38 1x4u s THR 57 CO 0.58 0.00 0.20 0.00 -2.21 0.00 0.00 174.62 173.19 1x4u n ALA 58 N -0.41 -2.65 0.97 11.08 0.00 -1.26 -4.74 120.51 123.49 1x4u n ALA 58 Ca -0.07 0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1x4u n ALA 58 Cb 0.61 -1.25 0.43 0.00 0.00 0.00 0.00 19.45 19.24 1x4u n ALA 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x4u n PRO 59 N 1.01 0.49 -0.09 0.00 -0.04 -1.26 -3.25 135.00 131.86 1x4u n PRO 59 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1x4u n PRO 59 Cb 0.29 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 1x4u n PRO 59 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1x4u h GLU 60 N 0.00 0.45 -4.77 0.54 4.57 -2.04 -3.34 114.58 110.00 1x4u h GLU 60 Ca 0.00 -0.12 -0.73 0.00 -1.18 0.00 0.00 59.36 57.33 1x4u h GLU 60 Cb 0.00 -0.05 -0.18 0.00 -0.16 0.00 0.00 28.75 28.36 1x4u h GLU 60 CO 0.00 0.56 1.31 0.00 -1.18 0.00 0.00 179.01 179.70 1x4u s ALA 61 N -5.20 3.96 -0.01 2.92 0.00 -1.20 -4.96 121.76 117.27 1x4u s ALA 61 Ca -0.14 -3.32 0.04 0.00 0.00 0.00 0.00 51.96 48.54 1x4u s ALA 61 Cb 0.08 -4.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.07 1x4u s ALA 61 CO 0.74 -2.78 -0.13 -0.65 0.00 0.00 0.00 175.76 172.94 1x4u s GLN 62 N 1.64 1.04 -1.42 0.00 -0.21 -1.26 -4.52 119.66 114.94 1x4u s GLN 62 Ca 0.42 -0.46 -0.04 0.00 0.02 0.00 0.00 55.36 55.30 1x4u s GLN 62 Cb -0.03 -1.01 0.00 0.00 1.00 0.00 0.00 33.01 32.98 1x4u s GLN 62 CO -0.01 0.28 0.55 0.54 -2.12 0.00 0.00 175.29 174.53 1x4u n ARG 63 N 2.77 -4.42 -4.12 2.91 5.12 -1.26 -5.00 116.66 112.65 1x4u n ARG 63 Ca -0.14 0.83 -0.24 0.00 -1.93 0.00 0.00 57.85 56.37 1x4u n ARG 63 Cb 0.56 -5.51 -0.05 0.00 -1.16 0.00 0.00 32.46 26.29 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1x4u s GLU 64 N -5.58 2.83 -0.09 5.56 2.56 -1.26 -5.09 118.70 117.62 1x4u s GLU 64 Ca 0.27 -1.02 0.03 0.00 0.00 0.00 0.00 54.97 54.25 1x4u s GLU 64 Cb -0.12 -2.55 0.01 0.00 2.00 0.00 0.00 34.13 33.47 1x4u s GLU 64 CO 0.34 0.43 -0.18 0.95 -0.56 0.00 0.00 175.26 176.24 1x4u s THR 65 N -1.97 1.63 0.28 -1.70 -4.23 -1.26 -3.66 115.64 104.72 1x4u s THR 65 Ca 0.32 -0.75 0.06 0.00 -1.18 0.00 0.00 61.69 60.13 1x4u s THR 65 Cb -0.09 -1.45 -0.06 0.00 1.34 0.00 0.00 72.50 72.25 1x4u s THR 65 CO 0.23 0.47 -0.04 0.68 -0.54 0.00 0.00 174.62 175.42 1x4u s VAL 66 N 0.64 1.56 -0.22 2.29 -7.23 -0.46 -4.91 120.40 112.07 1x4u s VAL 66 Ca -0.14 -2.10 -0.10 0.00 -1.81 0.00 0.00 61.98 57.83 1x4u s VAL 66 Cb -0.16 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 1x4u s VAL 66 CO 0.04 -0.27 0.13 -0.36 -0.31 0.00 0.00 175.10 174.33 1x4u s PHE 67 N -3.06 3.32 0.43 2.82 0.08 -1.26 -1.07 117.98 119.24 1x4u s PHE 67 Ca 0.30 0.20 0.03 0.00 0.12 0.00 0.00 56.93 57.58 1x4u s PHE 67 Cb 0.04 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 1x4u s PHE 67 CO 0.12 0.12 0.06 0.14 -0.10 0.00 0.00 175.22 175.57 1x4u s VAL 68 N 0.78 1.02 0.05 -0.44 -7.23 0.33 -2.32 120.40 112.59 1x4u s VAL 68 Ca 0.07 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.19 1x4u s VAL 68 Cb -0.13 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1x4u s VAL 68 CO 0.02 0.00 0.29 0.00 -0.31 0.00 0.00 175.10 175.10 1x4u n ALA 70 N 0.74 -0.48 -0.35 0.00 0.00 -0.90 0.97 120.51 120.49 1x4u n ALA 70 Ca -0.08 0.86 0.33 0.00 0.00 0.00 0.00 53.44 54.55 1x4u n ALA 70 Cb 0.52 -0.22 0.60 0.00 0.00 0.00 0.00 19.45 20.36 1x4u n ALA 70 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x4u h SER 71 N 0.00 0.30 0.00 0.00 0.02 -1.94 0.18 113.55 112.12 1x4u h SER 71 Ca 0.20 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1x4u h SER 71 Cb 0.44 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1x4u h SER 71 CO -0.92 -0.40 -0.19 0.00 -1.14 0.00 0.00 176.83 174.18 1x4u n ASN 73 N -4.57 0.33 -0.12 0.00 5.15 0.55 0.15 115.26 116.75 1x4u n ASN 73 Ca -0.03 1.60 -0.11 0.00 -0.60 0.00 0.00 54.58 55.44 1x4u n ASN 73 Cb 0.10 -0.78 -0.03 0.00 -0.53 0.00 0.00 39.78 38.54 1x4u n ASN 73 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1x4u h GLN 74 N 0.00 0.63 -0.46 1.20 4.20 -0.83 -0.71 115.11 119.14 1x4u h GLN 74 Ca 0.84 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 59.19 1x4u h GLN 74 Cb 2.28 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 30.00 1x4u h GLN 74 CO -0.72 0.79 -0.20 1.15 -0.67 0.00 0.00 178.83 179.19 1x4u h THR 75 N 0.42 1.27 -0.05 -0.54 2.02 0.14 -2.97 112.91 113.20 1x4u h THR 75 Ca 0.09 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 1x4u h THR 75 Cb 0.54 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1x4u h THR 75 CO 0.03 0.46 0.01 -0.07 0.37 0.00 0.00 175.52 176.32 1x4u h LEU 76 N 0.79 0.08 -4.09 2.58 3.38 -0.54 -3.07 115.31 114.44 1x4u h LEU 76 Ca 0.11 -0.26 -0.44 0.00 0.09 0.00 0.00 57.88 57.38 1x4u h LEU 76 Cb 0.77 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.33 1x4u h LEU 76 CO 0.06 0.32 0.42 -0.24 0.09 0.00 0.00 178.44 179.09 1x4u n SER 77 N -4.91 6.52 -4.77 -0.43 2.88 -0.28 -4.92 113.62 107.71 1x4u n SER 77 Ca -0.07 -3.17 -0.29 0.00 -1.33 0.00 0.00 58.87 54.01 1x4u n SER 77 Cb 0.16 -1.16 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 1x4u n SER 77 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1x4u s LYS 78 N -1.83 2.84 -0.42 -1.46 2.20 -1.13 -4.91 119.74 115.03 1x4u s LYS 78 Ca 0.48 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 55.29 1x4u s LYS 78 Cb 0.33 -2.68 0.11 0.00 -1.51 0.00 0.00 37.83 34.09 1x4u s LYS 78 CO -0.13 0.54 0.23 -1.54 -0.36 0.00 0.00 175.35 174.10 1x4u s SER 79 N -2.58 5.36 0.48 1.43 1.04 -1.26 -5.08 113.70 113.08 1x4u s SER 79 Ca 0.29 -1.99 0.06 0.00 0.48 0.00 0.00 55.95 54.79 1x4u s SER 79 Cb -0.11 -1.87 0.02 0.00 0.10 0.00 0.00 66.02 64.16 1x4u s SER 79 CO 0.22 -0.57 0.66 -0.83 0.98 0.00 0.00 173.24 173.69 1x4u s GLY 80 N 2.01 1.90 0.98 7.32 0.00 -1.26 -5.10 107.32 113.16 1x4u s GLY 80 Ca 0.07 -1.57 -0.12 0.00 0.00 0.00 0.00 44.72 43.10 1x4u s GLY 80 CO -0.03 -1.34 1.09 2.56 0.00 0.00 0.00 173.10 175.38 1x4u s PRO 81 N -4.52 0.62 -0.29 2.90 0.04 -1.26 -5.08 135.00 127.40 1x4u s PRO 81 Ca 0.56 0.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.07 1x4u s PRO 81 Cb -0.10 -1.75 0.13 0.00 0.04 0.00 0.00 34.50 32.82 1x4u s PRO 81 CO 0.35 -2.62 0.75 -1.54 0.04 0.00 0.00 177.00 173.98 1x4u s SER 82 N -3.44 -0.95 0.03 6.66 1.04 -1.26 -5.17 113.70 110.61 1x4u s SER 82 Ca 0.65 1.36 -0.16 0.00 0.48 0.00 0.00 55.95 58.28 1x4u s SER 82 Cb -0.18 1.91 0.03 0.00 0.10 0.00 0.00 66.02 67.87 1x4u s SER 82 CO 0.57 -0.20 0.35 -0.44 0.98 0.00 0.00 173.24 174.51 1x4u s SER 83 N 2.43 -0.20 0.00 7.02 0.01 -1.26 -5.36 113.70 116.33 1x4u s SER 83 Ca -0.06 -0.07 0.12 0.00 1.31 0.00 0.00 55.95 57.25 1x4u s SER 83 Cb -0.09 0.38 0.73 0.00 0.21 0.00 0.00 66.02 67.25 1x4u s SER 83 CO -0.19 -0.61 1.16 0.61 0.41 0.00 0.00 173.24 174.63