#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4u n SER 2 N 0.00 3.95 -3.66 1.61 2.88 -1.26 -4.98 113.62 112.16 1x4u n SER 2 Ca 0.00 1.02 -0.09 0.00 -1.33 0.00 0.00 58.87 58.47 1x4u n SER 2 Cb 0.00 -1.54 -0.08 0.00 -0.75 0.00 0.00 64.21 61.83 1x4u n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4u s SER 3 N 2.03 -0.77 0.29 -3.46 0.01 -1.26 -5.18 113.70 105.36 1x4u s SER 3 Ca 0.79 1.29 0.02 0.00 1.31 0.00 0.00 55.95 59.36 1x4u s SER 3 Cb -0.51 1.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.85 1x4u s SER 3 CO 0.36 -0.22 0.09 -0.83 0.41 0.00 0.00 173.24 173.04 1x4u s GLY 4 N 1.37 1.89 0.29 3.44 0.00 -1.26 -5.17 107.32 107.88 1x4u s GLY 4 Ca -0.08 -1.91 0.08 0.00 0.00 0.00 0.00 44.72 42.81 1x4u s GLY 4 CO -0.15 -1.68 0.12 -0.56 0.00 0.00 0.00 173.10 170.84 1x4u s SER 5 N -3.38 4.93 0.67 1.64 0.01 -1.26 -5.14 113.70 111.17 1x4u s SER 5 Ca 0.37 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 57.03 1x4u s SER 5 Cb 0.08 -0.98 0.07 0.00 0.21 0.00 0.00 66.02 65.40 1x4u s SER 5 CO 0.14 -0.13 0.96 -0.44 0.41 0.00 0.00 173.24 174.18 1x4u s SER 6 N -3.80 4.82 -0.29 2.44 0.01 -1.26 -5.11 113.70 110.50 1x4u s SER 6 Ca 0.35 0.22 -0.21 0.00 1.31 0.00 0.00 55.95 57.62 1x4u s SER 6 Cb -0.06 -0.88 0.18 0.00 0.21 0.00 0.00 66.02 65.47 1x4u s SER 6 CO 0.23 -1.55 1.25 -0.83 0.41 0.00 0.00 173.24 172.75 1x4u s GLY 7 N -4.53 0.33 0.28 3.44 0.00 -1.26 -5.19 107.32 100.39 1x4u s GLY 7 Ca 0.61 3.46 -0.17 0.00 0.00 0.00 0.00 44.72 48.62 1x4u s GLY 7 CO 0.43 2.31 0.62 0.50 0.00 0.00 0.00 173.10 176.97 1x4u s ARG 8 N 0.60 1.73 -0.02 2.90 0.52 -1.26 -5.17 118.95 118.25 1x4u s ARG 8 Ca -0.01 -1.15 0.07 0.00 -0.52 0.00 0.00 55.73 54.12 1x4u s ARG 8 Cb -0.04 0.55 -0.02 0.00 0.52 0.00 0.00 34.95 35.97 1x4u s ARG 8 CO -0.12 -0.77 -0.24 1.52 0.02 0.00 0.00 175.30 175.71 1x4u s TYR 9 N -3.81 2.14 0.42 -0.53 1.13 -1.26 -5.12 117.35 110.31 1x4u s TYR 9 Ca 0.16 -0.43 -0.24 0.00 -1.41 0.00 0.00 57.07 55.15 1x4u s TYR 9 Cb -0.04 -1.38 -0.08 0.00 -1.10 0.00 0.00 41.96 39.36 1x4u s TYR 9 CO 0.09 -0.06 1.18 -1.25 -2.51 0.00 0.00 175.55 173.00 1x4u s PRO 10 N -0.50 3.94 -0.16 -3.49 0.04 -1.26 -5.05 135.00 128.52 1x4u s PRO 10 Ca 0.08 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 1x4u s PRO 10 Cb -0.10 -2.59 0.07 0.00 0.04 0.00 0.00 34.50 31.93 1x4u s PRO 10 CO -0.00 -0.42 0.34 0.95 0.04 0.00 0.00 177.00 177.91 1x4u s THR 11 N -1.44 -0.47 -0.27 1.26 -4.23 -1.26 -5.05 115.64 104.17 1x4u s THR 11 Ca 0.59 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 61.17 1x4u s THR 11 Cb -0.31 -0.55 -0.12 0.00 1.34 0.00 0.00 72.50 72.86 1x4u s THR 11 CO 0.38 0.09 -0.36 -3.20 -0.54 0.00 0.00 174.62 170.99 1x4u n ASN 12 N 5.22 1.95 -4.16 3.99 5.15 -1.26 -5.06 115.26 121.09 1x4u n ASN 12 Ca -0.10 0.34 -0.10 0.00 -0.60 0.00 0.00 54.58 54.12 1x4u n ASN 12 Cb 0.50 -0.81 -0.10 0.00 -0.53 0.00 0.00 39.78 38.84 1x4u n ASN 12 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1x4u s ASN 13 N -7.44 0.37 -0.29 1.20 3.84 -1.26 -5.07 114.94 106.29 1x4u s ASN 13 Ca -0.38 -1.22 0.07 0.00 0.21 0.00 0.00 52.86 51.54 1x4u s ASN 13 Cb 0.15 0.29 0.46 0.00 -0.55 0.00 0.00 41.25 41.59 1x4u s ASN 13 CO 0.48 -0.72 1.19 0.49 -2.79 0.00 0.00 177.10 175.75 1x4u n PHE 14 N -0.12 2.72 -2.42 0.43 3.72 -1.26 -4.82 117.46 115.71 1x4u n PHE 14 Ca -0.05 -2.21 -0.32 0.00 -0.05 0.00 0.00 57.45 54.82 1x4u n PHE 14 Cb 0.64 -0.34 0.01 0.00 -0.94 0.00 0.00 39.48 38.85 1x4u n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4u n GLY 15 N -0.71 5.83 3.23 1.37 0.00 -1.26 -5.01 105.19 108.64 1x4u n GLY 15 Ca 0.44 -2.68 -0.11 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.71 0.16 0.98 1.61 0.02 -1.26 -4.14 114.94 109.60 1x4u s ASN 16 Ca 0.48 -1.25 -0.15 0.00 -1.02 0.00 0.00 52.86 50.93 1x4u s ASN 16 Cb 0.37 0.38 -0.01 0.00 0.02 0.00 0.00 41.25 42.02 1x4u s ASN 16 CO -0.24 -0.84 0.02 0.00 0.02 0.00 0.00 177.10 176.07 1x4u n THR 18 N -3.41 1.58 0.00 0.00 -1.04 -1.20 -3.34 114.28 106.87 1x4u n THR 18 Ca 0.04 -1.16 0.00 0.00 -2.04 0.00 0.00 64.05 60.89 1x4u n THR 18 Cb 0.56 0.24 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 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 1.17 0.00 0.25 3.41 0.00 -1.26 -4.86 105.19 103.89 1x4u n GLY 19 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.42 -2.19 -4.56 0.00 2.88 -1.21 -4.82 113.62 103.31 1x4u n SER 21 Ca 0.08 0.32 -0.41 0.00 -1.33 0.00 0.00 58.87 57.53 1x4u n SER 21 Cb 0.42 -1.95 -0.03 0.00 -0.75 0.00 0.00 64.21 61.91 1x4u n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4u s ALA 22 N -2.29 2.66 0.54 -1.46 0.00 -1.26 -4.47 121.76 115.48 1x4u s ALA 22 Ca 0.03 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 1x4u s ALA 22 Cb -0.02 -4.22 -0.11 0.00 0.00 0.00 0.00 23.12 18.78 1x4u s ALA 22 CO 0.04 -3.29 0.35 2.41 0.00 0.00 0.00 175.76 175.26 1x4u n THR 23 N 6.69 1.62 -3.38 0.00 -1.04 -1.26 -3.19 114.28 113.72 1x4u n THR 23 Ca 0.09 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.05 61.15 1x4u n THR 23 Cb 0.50 -0.49 -0.04 0.00 -1.82 0.00 0.00 70.33 68.48 1x4u n THR 23 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1x4u s PHE 24 N -1.79 3.63 0.60 -1.42 0.08 -1.26 -4.90 117.98 112.92 1x4u s PHE 24 Ca 0.65 -1.96 -0.14 0.00 0.12 0.00 0.00 56.93 55.61 1x4u s PHE 24 Cb -0.47 -3.73 -0.04 0.00 -0.57 0.00 0.00 43.02 38.21 1x4u s PHE 24 CO 0.58 -0.98 1.03 -1.12 -0.10 0.00 0.00 175.22 174.63 1x4u s SER 25 N 2.25 6.08 0.25 1.36 0.01 -1.25 -4.84 113.70 117.55 1x4u s SER 25 Ca 0.15 1.58 0.12 0.00 1.31 0.00 0.00 55.95 59.11 1x4u s SER 25 Cb -0.15 -2.50 0.87 0.00 0.21 0.00 0.00 66.02 64.45 1x4u s SER 25 CO -0.06 -0.97 1.11 0.55 0.41 0.00 0.00 173.24 174.28 1x4u n VAL 26 N -2.34 -0.30 0.20 3.43 3.14 -1.26 0.95 118.33 122.16 1x4u n VAL 26 Ca 0.07 1.45 -0.13 0.00 -2.96 0.00 0.00 64.34 62.77 1x4u n VAL 26 Cb 0.54 -2.31 -0.08 0.00 -1.06 0.00 0.00 33.84 30.93 1x4u n VAL 26 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1x4u h LEU 27 N 0.00 -0.46 -9.54 6.55 6.46 -2.01 -3.43 115.31 112.88 1x4u h LEU 27 Ca 0.57 -0.12 -0.53 0.00 -0.12 0.00 0.00 57.88 57.67 1x4u h LEU 27 Cb 1.45 0.12 0.01 0.00 -0.73 0.00 0.00 40.66 41.51 1x4u h LEU 27 CO -0.57 -0.09 0.62 -0.75 -0.62 0.00 0.00 178.44 177.04 1x4u s LYS 28 N -4.65 4.40 -0.29 1.25 2.20 0.27 -5.01 119.74 117.91 1x4u s LYS 28 Ca -0.14 1.91 -0.11 0.00 -0.36 0.00 0.00 55.97 57.27 1x4u s LYS 28 Cb 0.02 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1x4u s LYS 28 CO 0.51 -0.29 0.19 0.15 -0.36 0.00 0.00 175.35 175.55 1x4u s LYS 29 N 0.81 3.85 -0.09 4.03 -0.14 -1.26 -3.95 119.74 122.98 1x4u s LYS 29 Ca 0.60 -0.39 -0.32 0.00 -1.36 0.00 0.00 55.97 54.50 1x4u s LYS 29 Cb -0.33 -3.67 -0.10 0.00 -1.68 0.00 0.00 37.83 32.06 1x4u s LYS 29 CO 0.31 -0.23 2.00 -2.13 -0.76 0.00 0.00 175.35 174.55 1x4u n ARG 30 N 5.06 2.27 -3.13 1.68 0.63 -1.26 -4.74 116.66 117.18 1x4u n ARG 30 Ca -0.14 0.79 -0.25 0.00 -0.92 0.00 0.00 57.85 57.34 1x4u n ARG 30 Cb 0.52 -2.85 -0.01 0.00 0.45 0.00 0.00 32.46 30.56 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 4.80 3.47 -0.06 -0.14 0.52 -0.27 -4.92 118.95 122.35 1x4u s ARG 31 Ca 0.94 -0.19 0.06 0.00 -0.52 0.00 0.00 55.73 56.03 1x4u s ARG 31 Cb -0.56 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 1x4u s ARG 31 CO 0.46 0.01 -0.24 -1.12 0.02 0.00 0.00 175.30 174.43 1x4u s SER 32 N -4.07 2.96 0.86 0.23 0.01 -1.26 -1.04 113.70 111.39 1x4u s SER 32 Ca 0.43 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 57.08 1x4u s SER 32 Cb -0.10 -0.84 0.11 0.00 0.21 0.00 0.00 66.02 65.40 1x4u s SER 32 CO 0.39 0.23 1.09 0.00 0.41 0.00 0.00 173.24 175.36 1x4u n SER 34 N -3.75 1.14 0.00 0.00 2.88 -1.18 -3.98 113.62 108.74 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 0.55 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 64.94 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 -2.55 0.00 -0.10 -3.46 5.15 -1.26 -4.56 115.26 108.48 1x4u n ASN 35 Ca -0.24 0.17 -0.06 0.00 -0.60 0.00 0.00 54.58 53.84 1x4u n ASN 35 Cb 0.98 -0.25 0.12 0.00 -0.53 0.00 0.00 39.78 40.10 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 -0.44 0.86 3.80 0.00 0.00 -1.26 -5.03 105.19 103.13 1x4u n GLY 37 Ca 0.01 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.87 4.53 0.34 1.61 0.01 -1.26 -4.73 114.94 112.58 1x4u s ASN 38 Ca 0.00 -1.13 -0.22 0.00 -0.71 0.00 0.00 52.86 50.80 1x4u s ASN 38 Cb 0.00 -0.18 -0.10 0.00 0.41 0.00 0.00 41.25 41.39 1x4u s ASN 38 CO 0.00 -0.73 0.88 -0.44 -1.51 0.00 0.00 177.10 175.30 1x4u s SER 39 N -4.02 7.08 0.19 -1.22 0.01 -1.26 -0.39 113.70 114.08 1x4u s SER 39 Ca 0.37 1.64 -0.21 0.00 1.31 0.00 0.00 55.95 59.06 1x4u s SER 39 Cb 0.01 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.78 1x4u s SER 39 CO 0.21 -0.17 0.60 -0.36 0.41 0.00 0.00 173.24 173.93 1x4u s PHE 40 N -1.84 -0.38 0.56 2.43 0.08 -0.20 -3.24 117.98 115.39 1x4u s PHE 40 Ca 0.53 0.09 -0.10 0.00 0.12 0.00 0.00 56.93 57.58 1x4u s PHE 40 Cb -0.14 0.54 0.13 0.00 -0.57 0.00 0.00 43.02 42.98 1x4u s PHE 40 CO 0.19 -0.92 0.75 0.00 -0.10 0.00 0.00 175.22 175.14 1x4u n SER 42 N -3.50 0.47 -0.06 0.00 7.64 -1.26 -1.99 113.62 114.92 1x4u n SER 42 Ca 0.09 -1.09 -0.04 0.00 1.01 0.00 0.00 58.87 58.85 1x4u n SER 42 Cb 0.33 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.40 1x4u n SER 42 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1x4u n ARG 43 N -0.66 1.30 -0.03 1.43 0.00 -1.26 -4.43 116.66 113.00 1x4u n ARG 43 Ca 0.22 -0.04 -0.18 0.00 -0.00 0.00 0.00 57.85 57.85 1x4u n ARG 43 Cb 0.20 -1.38 -0.14 0.00 0.00 0.00 0.00 32.46 31.14 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4u n SER 46 N 0.14 4.25 -4.02 0.00 7.64 -1.23 -4.62 113.62 115.78 1x4u n SER 46 Ca 0.40 -3.47 -0.31 0.00 1.01 0.00 0.00 58.87 56.50 1x4u n SER 46 Cb 0.58 -0.40 -0.16 0.00 -1.01 0.00 0.00 64.21 63.22 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1x4u s PHE 47 N -3.58 2.54 -0.17 1.43 0.08 -1.21 -4.99 117.98 112.08 1x4u s PHE 47 Ca 0.46 -1.64 -0.28 0.00 0.12 0.00 0.00 56.93 55.58 1x4u s PHE 47 Cb 0.40 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 41.14 1x4u s PHE 47 CO -0.03 -0.76 0.96 0.15 -0.10 0.00 0.00 175.22 175.44 1x4u s LYS 48 N 1.36 4.33 0.01 0.44 1.02 -1.26 -1.03 119.74 124.61 1x4u s LYS 48 Ca -0.01 1.26 -0.07 0.00 0.02 0.00 0.00 55.97 57.17 1x4u s LYS 48 Cb -0.16 -3.59 -0.00 0.00 -0.52 0.00 0.00 37.83 33.57 1x4u s LYS 48 CO -0.09 -0.43 0.13 0.14 -0.92 0.00 0.00 175.35 174.19 1x4u s VAL 49 N 2.46 0.10 -0.16 3.17 -7.23 0.89 -4.90 120.40 114.72 1x4u s VAL 49 Ca 0.44 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.52 1x4u s VAL 49 Cb -0.17 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 1x4u s VAL 49 CO 0.12 -0.43 1.57 -2.16 -0.31 0.00 0.00 175.10 173.89 1x4u s PRO 50 N -1.73 3.98 0.47 4.82 0.04 -1.26 -0.02 135.00 141.30 1x4u s PRO 50 Ca -0.12 1.82 0.25 0.00 0.04 0.00 0.00 61.00 63.00 1x4u s PRO 50 Cb -0.06 -3.98 1.29 0.00 0.04 0.00 0.00 34.50 31.80 1x4u s PRO 50 CO -0.00 -1.06 1.83 1.57 0.04 0.00 0.00 177.00 179.37 1x4u h LYS 51 N 9.95 0.21 -7.27 4.56 2.10 -1.82 -3.42 116.57 120.87 1x4u h LYS 51 Ca -0.34 -0.01 -0.51 0.00 -2.00 0.00 0.00 60.65 57.79 1x4u h LYS 51 Cb 1.15 -0.05 0.18 0.00 -0.90 0.00 0.00 32.23 32.61 1x4u h LYS 51 CO 0.98 0.14 0.23 -1.54 -2.00 0.00 0.00 179.45 177.26 1x4u s SER 52 N -5.41 3.16 -1.37 7.07 1.04 -1.23 -3.48 113.70 113.48 1x4u s SER 52 Ca -0.07 1.97 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 1x4u s SER 52 Cb 0.23 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1x4u s SER 52 CO 0.79 -2.92 0.59 -1.20 0.98 0.00 0.00 173.24 171.48 1x4u n SER 53 N -4.10 -5.65 -2.40 7.02 7.64 -1.26 -4.92 113.62 109.95 1x4u n SER 53 Ca 0.10 -0.27 -0.16 0.00 1.01 0.00 0.00 58.87 59.55 1x4u n SER 53 Cb 0.53 -4.46 0.03 0.00 -1.01 0.00 0.00 64.21 59.30 1x4u n SER 53 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1x4u n MET 54 N -3.73 2.77 0.00 1.43 2.00 -1.23 -5.05 117.12 113.32 1x4u n MET 54 Ca -0.09 -3.93 0.00 0.00 0.00 0.00 0.00 57.70 53.68 1x4u n MET 54 Cb 0.60 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 31.86 1x4u n MET 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x4u n GLY 55 N -0.58 1.03 3.11 3.03 0.00 -1.26 -4.85 105.19 105.68 1x4u n GLY 55 Ca 0.29 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1x4u n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u s ALA 56 N -1.27 3.35 0.34 4.61 0.00 -1.26 -5.06 121.76 122.47 1x4u s ALA 56 Ca 0.00 -2.85 0.06 0.00 0.00 0.00 0.00 51.96 49.17 1x4u s ALA 56 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1x4u s ALA 56 CO 0.00 -1.94 0.23 0.25 0.00 0.00 0.00 175.76 174.30 1x4u n THR 57 N 4.13 0.00 -4.36 0.00 -2.24 -1.26 -5.06 114.28 105.49 1x4u n THR 57 Ca 0.02 -2.32 -0.27 0.00 -2.27 0.00 0.00 64.05 59.22 1x4u n THR 57 Cb 0.40 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 1x4u n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4u s ALA 58 N -3.22 2.77 -2.00 6.98 0.00 -1.26 -4.99 121.76 120.04 1x4u s ALA 58 Ca 0.32 -1.57 0.15 0.00 0.00 0.00 0.00 51.96 50.86 1x4u s ALA 58 Cb 0.02 -0.54 0.89 0.00 0.00 0.00 0.00 23.12 23.49 1x4u s ALA 58 CO 0.23 0.44 1.31 -0.35 0.00 0.00 0.00 175.76 177.38 1x4u n PRO 59 N 0.08 0.49 -0.09 0.00 -0.04 -1.26 -3.01 135.00 131.17 1x4u n PRO 59 Ca -0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 1x4u n PRO 59 Cb 0.56 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.01 -4.53 0.54 4.57 -2.06 -3.40 114.58 109.70 1x4u h GLU 60 Ca 0.00 -0.01 -0.64 0.00 -1.18 0.00 0.00 59.36 57.53 1x4u h GLU 60 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1x4u h GLU 60 CO 0.00 1.00 2.43 0.00 -1.18 0.00 0.00 179.01 181.26 1x4u n ALA 61 N -3.17 3.86 -0.05 2.92 0.00 -1.16 -4.42 120.51 118.47 1x4u n ALA 61 Ca -0.26 -3.49 -0.08 0.00 0.00 0.00 0.00 53.44 49.61 1x4u n ALA 61 Cb 0.63 -3.59 -0.03 0.00 0.00 0.00 0.00 19.45 16.46 1x4u n ALA 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x4u n GLN 62 N 6.95 0.37 0.13 0.00 1.13 -1.26 -3.57 117.38 121.13 1x4u n GLN 62 Ca 0.50 0.15 0.05 0.00 -1.94 0.00 0.00 57.00 55.76 1x4u n GLN 62 Cb 0.41 -1.15 0.49 0.00 0.11 0.00 0.00 30.24 30.10 1x4u n GLN 62 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1x4u h ARG 63 N -0.69 0.25 -6.97 -1.09 9.65 -1.95 -3.44 114.38 110.13 1x4u h ARG 63 Ca -0.05 -0.03 -0.55 0.00 -1.10 0.00 0.00 59.98 58.25 1x4u h ARG 63 Cb 0.77 -0.05 0.18 0.00 -1.39 0.00 0.00 29.97 29.48 1x4u h ARG 63 CO -0.03 0.24 0.12 -1.91 2.80 0.00 0.00 179.97 181.19 1x4u n GLU 64 N -4.43 0.49 -4.14 0.20 4.07 -1.26 -5.02 120.64 110.54 1x4u n GLU 64 Ca -0.00 0.22 -0.11 0.00 -0.06 0.00 0.00 57.16 57.21 1x4u n GLU 64 Cb 0.14 -2.24 -0.10 0.00 -0.06 0.00 0.00 31.44 29.18 1x4u n GLU 64 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1x4u s THR 65 N -1.84 0.66 0.07 6.31 -4.23 -1.26 -4.17 115.64 111.17 1x4u s THR 65 Ca 0.73 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1x4u s THR 65 Cb -0.34 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1x4u s THR 65 CO 0.50 -0.74 0.01 0.68 -0.54 0.00 0.00 174.62 174.53 1x4u s VAL 66 N -3.03 0.19 -0.33 2.29 -7.23 0.97 -4.87 120.40 108.39 1x4u s VAL 66 Ca 0.06 -1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 58.35 1x4u s VAL 66 Cb 0.01 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 1x4u s VAL 66 CO -0.03 -0.86 0.27 -0.36 -0.31 0.00 0.00 175.10 173.81 1x4u s PHE 67 N -3.93 3.22 0.51 2.82 0.40 -1.26 -0.08 117.98 119.66 1x4u s PHE 67 Ca 0.10 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.40 1x4u s PHE 67 Cb 0.07 -2.52 0.01 0.00 0.51 0.00 0.00 43.02 41.10 1x4u s PHE 67 CO -0.08 -0.35 0.30 0.14 0.70 0.00 0.00 175.22 175.93 1x4u s VAL 68 N 1.83 1.72 0.05 -0.44 -7.23 -0.19 -3.09 120.40 113.05 1x4u s VAL 68 Ca 0.08 -1.60 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 1x4u s VAL 68 Cb -0.17 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.39 1x4u s VAL 68 CO 0.11 0.00 0.49 0.00 -0.31 0.00 0.00 175.10 175.39 1x4u n ALA 70 N 1.61 -0.20 -0.31 0.00 0.00 0.10 0.17 120.51 121.89 1x4u n ALA 70 Ca -0.11 0.65 0.15 0.00 0.00 0.00 0.00 53.44 54.13 1x4u n ALA 70 Cb 0.52 -0.24 0.31 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.18 0.08 0.00 0.02 -1.93 0.61 113.55 112.14 1x4u h SER 71 Ca 0.20 0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1x4u h SER 71 Cb 0.37 0.36 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1x4u h SER 71 CO -0.67 -0.26 -0.04 0.00 -1.14 0.00 0.00 176.83 174.72 1x4u n ASN 73 N -3.82 0.24 -0.08 0.00 5.15 -0.01 0.23 115.26 116.97 1x4u n ASN 73 Ca -0.01 1.28 -0.12 0.00 -0.60 0.00 0.00 54.58 55.13 1x4u n ASN 73 Cb 0.04 -0.61 -0.05 0.00 -0.53 0.00 0.00 39.78 38.63 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 0.53 -0.36 1.20 4.20 -1.00 -2.00 115.11 117.67 1x4u h GLN 74 Ca 0.64 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 59.06 1x4u h GLN 74 Cb 1.67 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.42 1x4u h GLN 74 CO -0.61 0.80 0.04 1.15 -0.67 0.00 0.00 178.83 179.54 1x4u h THR 75 N 0.24 1.25 0.55 -0.54 2.02 0.30 -3.11 112.91 113.62 1x4u h THR 75 Ca 0.05 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1x4u h THR 75 Cb 0.66 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1x4u h THR 75 CO 0.04 0.30 -0.29 -0.07 0.37 0.00 0.00 175.52 175.87 1x4u h LEU 76 N 0.45 -0.70 -4.01 2.58 3.38 -0.69 -2.87 115.31 113.45 1x4u h LEU 76 Ca 0.11 0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.84 1x4u h LEU 76 Cb 0.39 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1x4u h LEU 76 CO 0.01 -0.48 -0.06 -1.20 0.09 0.00 0.00 178.44 176.80 1x4u n SER 77 N -5.43 5.70 -3.89 -0.43 7.64 -0.76 -4.69 113.62 111.76 1x4u n SER 77 Ca -0.12 -2.73 -0.29 0.00 1.01 0.00 0.00 58.87 56.74 1x4u n SER 77 Cb 0.33 -1.31 -0.13 0.00 -1.01 0.00 0.00 64.21 62.09 1x4u n SER 77 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1x4u s LYS 78 N -0.11 2.04 1.25 1.43 2.47 -1.09 -4.93 119.74 120.81 1x4u s LYS 78 Ca 0.55 -2.80 -0.18 0.00 -1.56 0.00 0.00 55.97 51.98 1x4u s LYS 78 Cb 0.30 -3.18 0.27 0.00 -1.46 0.00 0.00 37.83 33.76 1x4u s LYS 78 CO -0.07 -1.19 0.62 -1.13 0.16 0.00 0.00 175.35 173.74 1x4u n SER 79 N 2.74 -3.17 0.00 1.43 3.41 -1.26 -4.82 113.62 111.95 1x4u n SER 79 Ca 0.11 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 1x4u n SER 79 Cb 0.34 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1x4u n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4u n GLY 80 N 1.92 -0.53 3.64 5.00 0.00 -1.26 -5.00 105.19 108.96 1x4u n GLY 80 Ca 0.07 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1x4u n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4u s PRO 81 N 0.00 -0.24 -0.64 1.61 0.04 -1.26 -4.94 135.00 129.57 1x4u s PRO 81 Ca 0.00 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 61.05 1x4u s PRO 81 Cb 0.00 -1.68 0.03 0.00 0.04 0.00 0.00 34.50 32.89 1x4u s PRO 81 CO 0.00 -3.13 1.29 0.45 0.04 0.00 0.00 177.00 175.65 1x4u s SER 82 N -3.60 6.24 -0.16 6.66 0.15 -1.26 -4.81 113.70 116.92 1x4u s SER 82 Ca 0.67 -0.06 -0.13 0.00 0.70 0.00 0.00 55.95 57.14 1x4u s SER 82 Cb -0.16 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.53 1x4u s SER 82 CO 0.57 -1.69 -0.28 -0.24 1.20 0.00 0.00 173.24 172.80 1x4u n SER 83 N 9.16 1.68 0.00 5.45 2.88 -1.26 -5.28 113.62 126.25 1x4u n SER 83 Ca 0.08 0.28 0.02 0.00 -1.33 0.00 0.00 58.87 57.92 1x4u n SER 83 Cb 0.49 -0.65 0.12 0.00 -0.75 0.00 0.00 64.21 63.42 1x4u n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42