#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjp s SER 2 N 0.00 0.89 -0.19 1.61 0.15 -1.26 -5.18 113.70 109.72 1wjp s SER 2 Ca 0.00 -1.49 -0.28 0.00 0.70 0.00 0.00 55.95 54.88 1wjp s SER 2 Cb 0.00 0.58 0.11 0.00 -1.71 0.00 0.00 66.02 65.00 1wjp s SER 2 CO 0.00 -1.14 0.90 -0.94 1.20 0.00 0.00 173.24 173.26 1wjp s SER 3 N -3.24 -0.51 0.29 5.45 1.04 -1.26 -5.19 113.70 110.28 1wjp s SER 3 Ca 0.34 0.77 0.04 0.00 0.48 0.00 0.00 55.95 57.58 1wjp s SER 3 Cb 0.02 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 1wjp s SER 3 CO 0.20 -0.32 0.14 0.61 0.98 0.00 0.00 173.24 174.85 1wjp n GLY 4 N 1.53 3.37 3.64 7.32 0.00 -1.26 -5.17 105.19 114.62 1wjp n GLY 4 Ca -0.13 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 43.85 1wjp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wjp s SER 5 N -2.84 -0.35 -0.25 1.61 0.15 -1.26 -5.18 113.70 105.58 1wjp s SER 5 Ca 0.20 0.61 -0.26 0.00 0.70 0.00 0.00 55.95 57.20 1wjp s SER 5 Cb 0.01 0.88 0.10 0.00 -1.71 0.00 0.00 66.02 65.30 1wjp s SER 5 CO 0.14 -0.10 0.92 -0.55 1.20 0.00 0.00 173.24 174.85 1wjp s SER 6 N 0.70 -0.54 0.00 5.45 0.15 -1.26 -5.17 113.70 113.03 1wjp s SER 6 Ca -0.02 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1wjp s SER 6 Cb -0.04 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1wjp s SER 6 CO -0.12 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1wjp n GLY 7 N 2.11 5.67 3.54 9.45 0.00 -1.26 -5.19 105.19 119.51 1wjp n GLY 7 Ca -0.13 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 1wjp n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wjp s ALA 8 N -2.00 -1.91 -0.91 4.61 0.00 -1.26 -5.10 121.76 115.20 1wjp s ALA 8 Ca 0.00 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1wjp s ALA 8 Cb 0.00 0.11 0.23 0.00 0.00 0.00 0.00 23.12 23.46 1wjp s ALA 8 CO 0.00 -0.61 0.84 0.43 0.00 0.00 0.00 175.76 176.42 1wjp n SER 9 N -0.07 4.37 -4.70 0.00 7.64 -1.26 -5.07 113.62 114.53 1wjp n SER 9 Ca -0.06 -3.16 -0.29 0.00 1.01 0.00 0.00 58.87 56.37 1wjp n SER 9 Cb 0.60 -1.06 0.16 0.00 -1.01 0.00 0.00 64.21 62.90 1wjp n SER 9 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wjp s PRO 10 N -1.51 0.83 0.00 1.43 0.04 -1.26 -5.08 135.00 129.45 1wjp s PRO 10 Ca 0.29 0.67 -0.01 0.00 0.04 0.00 0.00 61.00 61.99 1wjp s PRO 10 Cb -0.05 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 1wjp s PRO 10 CO -0.11 -2.49 0.01 0.14 0.04 0.00 0.00 177.00 174.58 1wjp s VAL 11 N -2.95 0.03 -0.14 -0.36 -7.23 -1.26 -5.15 120.40 103.34 1wjp s VAL 11 Ca 0.64 -0.25 -0.02 0.00 -1.81 0.00 0.00 61.98 60.54 1wjp s VAL 11 Cb -0.18 -0.10 -0.02 0.00 0.56 0.00 0.00 36.38 36.64 1wjp s VAL 11 CO 0.57 -0.14 -0.07 -1.83 -0.31 0.00 0.00 175.10 173.33 1wjp s GLU 12 N -0.40 3.51 0.37 4.82 -1.05 -1.26 -5.09 118.70 119.61 1wjp s GLU 12 Ca -0.04 -0.57 -0.27 0.00 -0.15 0.00 0.00 54.97 53.94 1wjp s GLU 12 Cb -0.03 -2.81 -0.10 0.00 -0.44 0.00 0.00 34.13 30.76 1wjp s GLU 12 CO -0.00 0.27 1.32 0.54 0.95 0.00 0.00 175.26 178.35 1wjp s ASN 13 N 0.25 6.50 0.25 0.83 4.22 -1.26 -5.03 114.94 120.69 1wjp s ASN 13 Ca -0.05 2.71 0.07 0.00 -2.14 0.00 0.00 52.86 53.46 1wjp s ASN 13 Cb -0.14 -2.65 -0.05 0.00 1.28 0.00 0.00 41.25 39.69 1wjp s ASN 13 CO 0.04 -0.73 -0.10 -0.54 -2.04 0.00 0.00 177.10 173.73 1wjp s LYS 14 N -2.05 1.47 -0.30 3.55 -0.14 -1.26 -5.13 119.74 115.89 1wjp s LYS 14 Ca 0.53 -1.70 -0.13 0.00 -1.36 0.00 0.00 55.97 53.31 1wjp s LYS 14 Cb -0.40 -1.17 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 1wjp s LYS 14 CO 0.52 0.11 0.26 -1.21 -0.76 0.00 0.00 175.35 174.27 1wjp s GLU 15 N -3.68 3.84 0.06 1.68 2.02 -1.26 -5.07 118.70 116.29 1wjp s GLU 15 Ca 0.27 -0.30 0.06 0.00 0.02 0.00 0.00 54.97 55.01 1wjp s GLU 15 Cb 0.01 -3.70 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 1wjp s GLU 15 CO 0.10 -0.29 -0.16 0.54 0.02 0.00 0.00 175.26 175.48 1wjp s VAL 16 N 1.86 1.24 -0.55 2.63 0.11 -1.26 -5.11 120.40 119.32 1wjp s VAL 16 Ca 0.09 -1.18 -0.22 0.00 -2.93 0.00 0.00 61.98 57.75 1wjp s VAL 16 Cb -0.16 -1.14 0.06 0.00 -1.53 0.00 0.00 36.38 33.61 1wjp s VAL 16 CO 0.11 -0.06 0.80 -0.31 -3.33 0.00 0.00 175.10 172.32 1wjp s TYR 17 N -1.02 2.89 0.29 1.54 2.02 -1.26 -4.96 117.35 116.85 1wjp s TYR 17 Ca 0.02 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.35 1wjp s TYR 17 Cb -0.09 -3.89 -0.04 0.00 -0.40 0.00 0.00 41.96 37.54 1wjp s TYR 17 CO 0.02 -1.26 0.50 -0.65 -1.57 0.00 0.00 175.55 172.58 1wjp s GLN 18 N 3.36 3.53 0.10 -0.62 -0.21 -1.26 0.18 119.66 124.73 1wjp s GLN 18 Ca 0.22 -0.28 -0.30 0.00 0.02 0.00 0.00 55.36 55.02 1wjp s GLN 18 Cb -0.17 -2.72 -0.05 0.00 1.00 0.00 0.00 33.01 31.07 1wjp s GLN 18 CO 0.14 0.25 0.97 0.00 -2.12 0.00 0.00 175.29 174.53 1wjp n ARG 20 N 2.95 0.76 0.01 0.00 1.74 -1.26 0.77 116.66 121.62 1wjp n ARG 20 Ca 0.03 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1wjp n ARG 20 Cb 0.49 -1.06 -0.00 0.00 -1.02 0.00 0.00 32.46 30.87 1wjp n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wjp n LEU 21 N -0.41 0.23 -0.21 0.55 4.77 -1.26 -4.82 117.00 115.85 1wjp n LEU 21 Ca 0.00 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.07 1wjp n LEU 21 Cb 0.03 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1wjp n LEU 21 CO 0.00 -0.12 0.57 0.00 -1.33 0.00 0.00 177.39 176.51 1wjp n ASN 23 N -0.75 -0.18 -4.64 0.00 4.13 0.23 -4.83 115.26 109.22 1wjp n ASN 23 Ca 0.10 -1.13 -0.35 0.00 1.68 0.00 0.00 54.58 54.89 1wjp n ASN 23 Cb 0.50 -1.39 -0.10 0.00 -1.54 0.00 0.00 39.78 37.26 1wjp n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wjp s ALA 24 N -4.10 3.41 0.01 5.41 0.00 -1.25 -4.60 121.76 120.63 1wjp s ALA 24 Ca 0.10 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1wjp s ALA 24 Cb -0.06 -1.88 -0.08 0.00 0.00 0.00 0.00 23.12 21.10 1wjp s ALA 24 CO 0.87 0.23 1.83 0.15 0.00 0.00 0.00 175.76 178.84 1wjp s LYS 25 N 0.23 4.16 0.42 0.00 1.02 -1.26 -1.61 119.74 122.70 1wjp s LYS 25 Ca 0.04 2.44 -0.03 0.00 0.02 0.00 0.00 55.97 58.44 1wjp s LYS 25 Cb -0.12 -4.06 0.09 0.00 -0.52 0.00 0.00 37.83 33.22 1wjp s LYS 25 CO 0.00 -0.90 0.58 1.28 -0.92 0.00 0.00 175.35 175.39 1wjp n LEU 26 N 7.26 0.00 -0.00 3.17 7.99 0.13 -4.97 117.00 130.57 1wjp n LEU 26 Ca 0.19 -0.97 0.07 0.00 -0.01 0.00 0.00 56.01 55.29 1wjp n LEU 26 Cb 0.42 -0.40 -0.09 0.00 -0.11 0.00 0.00 43.42 43.23 1wjp n LEU 26 CO 0.66 -0.84 -0.18 -0.24 -1.51 0.00 0.00 177.39 175.28 1wjp n SER 27 N -3.13 0.89 -3.61 -1.43 2.88 -1.26 -4.69 113.62 103.27 1wjp n SER 27 Ca 0.09 -0.65 -0.01 0.00 -1.33 0.00 0.00 58.87 56.96 1wjp n SER 27 Cb 0.30 1.16 -0.01 0.00 -0.75 0.00 0.00 64.21 64.91 1wjp n SER 27 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wjp s SER 28 N -2.69 -0.08 0.31 -3.46 0.01 -1.26 -4.99 113.70 101.55 1wjp s SER 28 Ca 0.03 -0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.29 1wjp s SER 28 Cb 0.11 0.12 0.71 0.00 0.21 0.00 0.00 66.02 67.17 1wjp s SER 28 CO 0.61 -0.22 1.81 0.25 0.41 0.00 0.00 173.24 176.11 1wjp h LEU 29 N 2.00 0.79 0.32 2.44 5.85 -1.96 -1.96 115.31 122.80 1wjp h LEU 29 Ca -0.20 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1wjp h LEU 29 Cb 1.18 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1wjp h LEU 29 CO 0.25 0.35 -0.16 0.25 -0.34 0.00 0.00 178.44 178.80 1wjp h LEU 30 N 0.81 -0.37 -1.77 2.25 5.85 -2.00 -2.44 115.31 117.66 1wjp h LEU 30 Ca 0.53 -0.08 0.30 0.00 0.84 0.00 0.00 57.88 59.47 1wjp h LEU 30 Cb 0.76 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1wjp h LEU 30 CO -0.30 -0.15 0.74 -0.08 -0.34 0.00 0.00 178.44 178.31 1wjp h GLU 31 N -0.57 0.14 -0.02 1.25 4.81 -1.75 0.70 114.58 119.14 1wjp h GLU 31 Ca -0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1wjp h GLU 31 Cb 0.42 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1wjp h GLU 31 CO 0.07 0.09 -0.03 0.37 -0.73 0.00 0.00 179.01 178.79 1wjp h GLN 32 N 0.15 0.05 -0.26 1.92 4.15 -1.07 0.40 115.11 120.44 1wjp h GLN 32 Ca 0.54 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.88 1wjp h GLN 32 Cb 1.86 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.54 1wjp h GLN 32 CO -0.11 0.57 -0.06 0.78 -1.93 0.00 0.00 178.83 178.08 1wjp h GLY 33 N -0.48 0.44 0.00 2.39 0.00 -0.50 -2.83 103.07 102.09 1wjp h GLY 33 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1wjp h GLY 33 CO 0.01 0.25 -0.29 1.76 0.00 0.00 0.00 176.54 178.26 1wjp h SER 34 N 0.39 0.00 -0.15 0.19 0.02 -0.98 -3.31 113.55 109.72 1wjp h SER 34 Ca 0.08 -0.73 0.04 0.00 -0.84 0.00 0.00 61.79 60.35 1wjp h SER 34 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1wjp h SER 34 CO 0.02 1.03 0.59 -0.74 -1.14 0.00 0.00 176.83 176.59 1wjp h HIS 35 N -1.00 0.00 -0.02 3.45 6.17 -0.20 0.90 115.15 124.45 1wjp h HIS 35 Ca -0.08 0.00 -0.16 0.00 0.71 0.00 0.00 60.37 60.84 1wjp h HIS 35 Cb 0.92 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.84 1wjp h HIS 35 CO 0.19 0.00 -0.73 0.93 0.71 0.00 0.00 177.93 179.03 1wjp h GLU 36 N 0.00 0.14 -0.37 5.26 5.08 -1.58 0.59 114.58 123.70 1wjp h GLU 36 Ca 0.07 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1wjp h GLU 36 Cb 1.25 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1wjp h GLU 36 CO -0.00 0.81 -0.10 0.07 -1.00 0.00 0.00 179.01 178.79 1wjp h ARG 37 N 0.09 0.71 0.03 2.33 0.11 0.71 -2.67 114.38 115.70 1wjp h ARG 37 Ca -0.02 -0.28 -0.24 0.00 0.10 0.00 0.00 59.98 59.54 1wjp h ARG 37 Cb 1.29 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 1wjp h ARG 37 CO 0.11 0.87 -1.16 1.37 0.10 0.00 0.00 179.97 181.26 1wjp h LEU 38 N 0.51 0.11 0.00 0.08 -0.00 -1.56 -3.19 115.31 111.26 1wjp h LEU 38 Ca 0.09 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1wjp h LEU 38 Cb 0.62 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1wjp h LEU 38 CO 0.04 1.10 0.00 0.00 -0.00 0.00 0.00 178.44 179.58 1wjp n ARG 40 N -0.56 2.66 -0.00 0.00 3.00 -1.01 -4.69 116.66 116.05 1wjp n ARG 40 Ca 0.03 -0.01 0.05 0.00 -0.00 0.00 0.00 57.85 57.91 1wjp n ARG 40 Cb 0.01 -1.17 -0.07 0.00 0.00 0.00 0.00 32.46 31.24 1wjp n ARG 40 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1wjp n ASN 41 N -2.19 2.53 -0.28 6.15 0.23 -1.16 -4.71 115.26 115.82 1wjp n ASN 41 Ca -0.10 -0.10 -0.06 0.00 -0.53 0.00 0.00 54.58 53.79 1wjp n ASN 41 Cb 0.66 1.36 -0.04 0.00 -2.08 0.00 0.00 39.78 39.67 1wjp n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wjp n ALA 42 N -1.73 -0.35 -3.76 -2.53 0.00 0.11 -3.72 120.51 108.53 1wjp n ALA 42 Ca -0.01 0.61 -0.29 0.00 0.00 0.00 0.00 53.44 53.75 1wjp n ALA 42 Cb 0.23 -0.15 -0.16 0.00 0.00 0.00 0.00 19.45 19.37 1wjp n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wjp s ALA 43 N -5.42 1.44 -0.35 0.00 0.00 -1.25 -4.22 121.76 111.95 1wjp s ALA 43 Ca -0.09 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.56 1wjp s ALA 43 Cb 0.09 -1.46 0.10 0.00 0.00 0.00 0.00 23.12 21.85 1wjp s ALA 43 CO 0.44 -1.45 0.09 0.08 0.00 0.00 0.00 175.76 174.92 1wjp s VAL 44 N 1.66 1.89 -0.18 0.00 1.01 -1.24 -1.66 120.40 121.88 1wjp s VAL 44 Ca 0.04 -2.18 -0.35 0.00 0.00 0.00 0.00 61.98 59.50 1wjp s VAL 44 Cb -0.17 -2.39 -0.12 0.00 0.00 0.00 0.00 36.38 33.70 1wjp s VAL 44 CO -0.17 -0.65 1.94 0.00 0.00 0.00 0.00 175.10 176.21 1wjp n PRO 46 N 6.86 0.49 -0.05 0.00 -0.04 -1.26 0.87 135.00 141.87 1wjp n PRO 46 Ca 0.27 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.67 1wjp n PRO 46 Cb 0.27 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 1wjp n PRO 46 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wjp n TYR 47 N -0.63 0.00 0.89 0.54 4.01 -1.26 -4.74 117.16 115.96 1wjp n TYR 47 Ca 0.03 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.87 1wjp n TYR 47 Cb 0.01 -0.34 -0.04 0.00 -0.31 0.00 0.00 39.34 38.66 1wjp n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wjp n SER 49 N -0.56 -3.26 -3.05 0.00 7.64 0.25 -5.00 113.62 109.64 1wjp n SER 49 Ca 0.07 -0.49 -0.13 0.00 1.01 0.00 0.00 58.87 59.32 1wjp n SER 49 Cb 0.37 -4.00 0.09 0.00 -1.01 0.00 0.00 64.21 59.66 1wjp n SER 49 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1wjp n LEU 50 N -3.15 0.00 -3.32 -3.43 4.77 -1.23 -4.81 117.00 105.84 1wjp n LEU 50 Ca -0.16 -0.83 -0.08 0.00 -0.03 0.00 0.00 56.01 54.91 1wjp n LEU 50 Cb 0.61 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1wjp n LEU 50 CO 0.45 -0.89 -0.04 -0.13 -1.33 0.00 0.00 177.39 175.45 1wjp s ARG 51 N -4.20 0.39 0.37 3.23 0.52 -1.24 -3.65 118.95 114.37 1wjp s ARG 51 Ca 0.36 0.42 0.08 0.00 -0.52 0.00 0.00 55.73 56.06 1wjp s ARG 51 Cb -0.01 -0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.10 1wjp s ARG 51 CO 0.25 -0.79 0.28 -0.06 0.02 0.00 0.00 175.30 174.99 1wjp s PHE 52 N 2.57 2.76 0.04 -0.53 0.40 -0.66 -5.01 117.98 117.54 1wjp s PHE 52 Ca 0.12 -0.42 -0.23 0.00 -0.60 0.00 0.00 56.93 55.80 1wjp s PHE 52 Cb -0.14 -1.92 -0.16 0.00 0.51 0.00 0.00 43.02 41.31 1wjp s PHE 52 CO -0.22 0.11 1.48 0.35 0.70 0.00 0.00 175.22 177.64 1wjp h PHE 53 N 1.25 0.11 -3.11 0.36 3.57 -1.90 -3.33 116.94 113.89 1wjp h PHE 53 Ca -0.43 -0.02 -0.64 0.00 3.53 0.00 0.00 57.97 60.42 1wjp h PHE 53 Cb 1.26 -0.03 -0.15 0.00 2.79 0.00 0.00 35.95 39.82 1wjp h PHE 53 CO 0.56 0.36 -0.75 -1.12 -2.23 0.00 0.00 178.31 175.13 1wjp s SER 54 N -5.58 4.10 0.48 0.41 0.01 -1.26 -4.72 113.70 107.14 1wjp s SER 54 Ca -0.14 -0.62 0.27 0.00 1.31 0.00 0.00 55.95 56.77 1wjp s SER 54 Cb 0.04 -0.63 1.14 0.00 0.21 0.00 0.00 66.02 66.78 1wjp s SER 54 CO 0.69 0.11 1.91 1.55 0.41 0.00 0.00 173.24 177.91 1wjp h PRO 55 N 3.04 0.00 0.00 12.44 0.13 -1.87 -2.51 132.00 143.23 1wjp h PRO 55 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wjp h PRO 55 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wjp h PRO 55 CO 0.52 0.16 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 1wjp n GLU 56 N -3.37 0.15 -0.05 0.86 1.02 -1.26 -3.20 120.64 114.79 1wjp n GLU 56 Ca -0.00 0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 57.16 1wjp n GLU 56 Cb 0.36 -1.69 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 1wjp n GLU 56 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wjp h LEU 57 N 0.00 0.04 -1.22 -4.62 3.38 -1.87 -3.32 115.31 107.71 1wjp h LEU 57 Ca 0.00 -0.88 -0.04 0.00 0.09 0.00 0.00 57.88 57.05 1wjp h LEU 57 Cb 0.60 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1wjp h LEU 57 CO 0.00 0.91 0.05 0.07 0.09 0.00 0.00 178.44 179.57 1wjp h LYS 58 N -0.83 0.59 -0.97 1.13 5.09 -1.65 -2.71 116.57 117.22 1wjp h LYS 58 Ca -0.01 -0.12 0.27 0.00 0.09 0.00 0.00 60.65 60.88 1wjp h LYS 58 Cb 0.92 -0.09 -0.13 0.00 0.10 0.00 0.00 32.23 33.03 1wjp h LYS 58 CO 0.01 0.58 0.52 1.96 -2.09 0.00 0.00 179.45 180.43 1wjp h GLN 59 N 0.58 0.41 -0.05 0.07 4.20 -1.64 0.18 115.11 118.86 1wjp h GLN 59 Ca 0.13 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1wjp h GLN 59 Cb 0.29 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wjp h GLN 59 CO 0.00 0.27 -0.13 0.93 -0.67 0.00 0.00 178.83 179.24 1wjp h GLU 60 N 0.43 0.17 -0.32 1.46 4.39 -1.61 -3.29 114.58 115.81 1wjp h GLU 60 Ca 0.66 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 60.29 1wjp h GLU 60 Cb 1.35 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.97 1wjp h GLU 60 CO -0.55 0.72 -0.00 1.25 -1.16 0.00 0.00 179.01 179.27 1wjp h HIS 61 N -0.35 -0.02 -1.36 4.33 -0.00 -0.99 -0.63 115.15 116.12 1wjp h HIS 61 Ca -0.00 0.02 0.39 0.00 -0.00 0.00 0.00 60.37 60.79 1wjp h HIS 61 Cb 0.73 0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 28.14 1wjp h HIS 61 CO 0.12 -0.06 1.15 0.93 -0.00 0.00 0.00 177.93 180.08 1wjp h GLU 62 N 0.09 0.00 0.00 5.26 5.08 -0.81 1.43 114.58 125.63 1wjp h GLU 62 Ca 0.16 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.27 1wjp h GLU 62 Cb 0.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.48 1wjp h GLU 62 CO -0.26 0.00 -0.97 1.03 -1.00 0.00 0.00 179.01 177.80 1wjp h SER 63 N 0.00 0.85 -0.64 1.42 0.87 -1.22 -3.24 113.55 111.59 1wjp h SER 63 Ca 0.64 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1wjp h SER 63 Cb 2.95 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 64.65 1wjp h SER 63 CO -0.01 1.49 0.00 2.29 -0.53 0.00 0.00 176.83 180.07 1wjp n LYS 64 N -3.92 3.47 -2.15 2.24 2.85 0.41 -4.97 118.16 116.09 1wjp n LYS 64 Ca -0.11 -2.81 -0.42 0.00 -1.05 0.00 0.00 58.31 53.93 1wjp n LYS 64 Cb 0.85 -1.79 -0.03 0.00 -0.65 0.00 0.00 35.03 33.41 1wjp n LYS 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wjp h GLU 66 N 6.57 0.00 0.00 0.00 4.11 -1.92 -3.14 114.58 120.19 1wjp h GLU 66 Ca -0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.00 1wjp h GLU 66 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wjp h GLU 66 CO 0.86 0.30 -0.54 1.88 0.07 0.00 0.00 179.01 181.57 1wjp h TYR 67 N 0.00 0.00 -0.10 2.06 -1.99 -1.90 -3.33 116.97 111.71 1wjp h TYR 67 Ca -0.00 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.76 1wjp h TYR 67 Cb 1.14 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.80 1wjp h TYR 67 CO 0.00 0.00 -0.46 -0.22 -0.00 0.00 0.00 178.16 177.48 1wjp h LYS 68 N 0.00 -0.53 -0.27 4.88 3.64 -1.87 0.17 116.57 122.60 1wjp h LYS 68 Ca -0.00 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1wjp h LYS 68 Cb 1.00 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1wjp h LYS 68 CO 0.00 -0.35 0.05 1.57 -2.27 0.00 0.00 179.45 178.45 1wjp h LYS 69 N -0.55 0.44 0.00 1.90 2.10 -1.75 -2.19 116.57 116.52 1wjp h LYS 69 Ca 0.06 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1wjp h LYS 69 Cb 0.66 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1wjp h LYS 69 CO -0.39 0.55 0.02 1.28 -2.00 0.00 0.00 179.45 178.91 1wjp n LEU 70 N -4.67 0.30 -4.64 7.07 4.77 -0.95 -4.47 117.00 114.41 1wjp n LEU 70 Ca -0.03 0.63 -0.40 0.00 -0.03 0.00 0.00 56.01 56.19 1wjp n LEU 70 Cb 0.20 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.55 1wjp n LEU 70 CO 0.37 -0.74 0.27 -0.89 -1.33 0.00 0.00 177.39 175.08 1wjp s THR 71 N -3.28 5.07 -1.15 -5.08 2.01 0.56 -2.86 115.64 110.91 1wjp s THR 71 Ca -0.01 0.97 -0.21 0.00 0.31 0.00 0.00 61.69 62.75 1wjp s THR 71 Cb 0.03 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.72 1wjp s THR 71 CO 0.11 0.12 1.69 0.00 -0.69 0.00 0.00 174.62 175.84 1wjp h LEU 73 N 13.80 0.02 -0.25 0.00 3.38 -1.88 1.19 115.31 131.58 1wjp h LEU 73 Ca 0.30 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.34 1wjp h LEU 73 Cb 0.94 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1wjp h LEU 73 CO 1.40 0.00 -0.21 -0.33 0.09 0.00 0.00 178.44 179.39 1wjp h GLU 74 N 0.02 -0.20 -0.17 1.13 3.07 -1.97 -3.20 114.58 113.26 1wjp h GLU 74 Ca 0.53 0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 59.23 1wjp h GLU 74 Cb 2.10 0.05 -0.26 0.00 -0.84 0.00 0.00 28.75 29.80 1wjp h GLU 74 CO -0.02 -0.13 -0.83 0.00 -1.40 0.00 0.00 179.01 176.63 1wjp n MET 76 N -0.42 -0.64 -3.88 0.00 2.81 0.40 -4.90 117.12 110.49 1wjp n MET 76 Ca 0.16 0.06 -0.35 0.00 -1.81 0.00 0.00 57.70 55.76 1wjp n MET 76 Cb 0.91 -2.92 -0.13 0.00 -0.71 0.00 0.00 33.22 30.37 1wjp n MET 76 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1wjp s ARG 77 N -7.26 2.26 0.02 0.03 1.81 -0.81 -4.86 118.95 110.13 1wjp s ARG 77 Ca 0.20 -1.44 -0.17 0.00 -1.72 0.00 0.00 55.73 52.59 1wjp s ARG 77 Cb -0.11 -3.29 -0.06 0.00 -0.45 0.00 0.00 34.95 31.04 1wjp s ARG 77 CO 0.94 -0.76 0.49 0.99 -0.68 0.00 0.00 175.30 176.29 1wjp s THR 78 N 1.21 4.91 0.26 0.02 2.01 -1.26 -0.12 115.64 122.67 1wjp s THR 78 Ca -0.01 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.02 1wjp s THR 78 Cb -0.20 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1wjp s THR 78 CO -0.02 0.54 0.02 0.49 -0.69 0.00 0.00 174.62 174.96 1wjp n PHE 79 N 1.98 0.45 0.51 4.92 3.01 -1.13 -4.98 117.46 122.22 1wjp n PHE 79 Ca -0.11 -1.28 0.11 0.00 1.01 0.00 0.00 57.45 57.17 1wjp n PHE 79 Cb 0.52 -0.18 -0.12 0.00 -0.01 0.00 0.00 39.48 39.68 1wjp n PHE 79 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1wjp n LYS 80 N -0.70 0.32 -3.88 -1.08 0.00 -1.26 -4.93 118.16 106.63 1wjp n LYS 80 Ca -0.10 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.31 58.03 1wjp n LYS 80 Cb 0.33 -1.52 -0.05 0.00 -0.00 0.00 0.00 35.03 33.79 1wjp n LYS 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1wjp s SER 81 N -3.77 -0.15 -0.00 -5.58 0.01 -1.26 -5.07 113.70 97.88 1wjp s SER 81 Ca 0.01 -0.71 -0.20 0.00 1.31 0.00 0.00 55.95 56.35 1wjp s SER 81 Cb 0.15 0.57 -0.24 0.00 0.21 0.00 0.00 66.02 66.71 1wjp s SER 81 CO 0.88 -1.08 1.08 0.28 0.41 0.00 0.00 173.24 174.80 1wjp h SER 82 N 2.26 0.53 -1.00 2.44 0.02 -1.94 -3.11 113.55 112.75 1wjp h SER 82 Ca -0.27 -0.78 0.09 0.00 -0.84 0.00 0.00 61.79 59.98 1wjp h SER 82 Cb 1.25 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 63.55 1wjp h SER 82 CO 0.37 1.25 0.64 0.15 -1.14 0.00 0.00 176.83 178.10 1wjp h PHE 83 N -0.13 1.18 0.69 3.45 3.04 -1.97 0.27 116.94 123.46 1wjp h PHE 83 Ca -0.08 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 1wjp h PHE 83 Cb 1.36 -0.38 0.01 0.00 2.56 0.00 0.00 35.95 39.49 1wjp h PHE 83 CO 0.15 0.56 -0.33 0.77 -2.02 0.00 0.00 178.31 177.44 1wjp h SER 84 N 1.10 -0.78 -0.67 0.41 0.02 -1.98 -3.07 113.55 108.59 1wjp h SER 84 Ca 0.46 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.51 1wjp h SER 84 Cb 0.29 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1wjp h SER 84 CO -0.21 -0.51 0.44 -0.29 -1.14 0.00 0.00 176.83 175.12 1wjp h ILE 85 N -1.02 0.99 -0.78 3.27 2.10 -1.44 -2.26 117.51 118.37 1wjp h ILE 85 Ca -0.09 -0.22 0.18 0.00 1.08 0.00 0.00 64.86 65.81 1wjp h ILE 85 Cb 0.71 0.29 -0.13 0.00 -1.09 0.00 0.00 36.82 36.60 1wjp h ILE 85 CO 0.16 0.12 0.05 -0.25 -1.08 0.00 0.00 178.15 177.14 1wjp h TRP 86 N 0.64 0.03 -0.17 2.19 7.01 -0.37 0.47 115.95 125.75 1wjp h TRP 86 Ca 0.29 0.05 -0.10 0.00 2.11 0.00 0.00 58.89 61.25 1wjp h TRP 86 Cb 0.32 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 1wjp h TRP 86 CO -0.00 -0.23 -0.33 0.00 -2.79 0.00 0.00 178.44 175.09 1wjp h ARG 87 N 0.13 0.35 0.00 2.65 2.47 -1.37 -0.48 114.38 118.13 1wjp h ARG 87 Ca 0.44 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.99 1wjp h ARG 87 Cb 0.80 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1wjp h ARG 87 CO -0.66 0.64 -0.13 1.25 0.56 0.00 0.00 179.97 181.62 1wjp h HIS 88 N 0.30 0.00 0.00 3.04 -0.00 -0.08 0.71 115.15 119.13 1wjp h HIS 88 Ca 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.27 1wjp h HIS 88 Cb 0.73 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 1wjp h HIS 88 CO 0.02 0.13 -1.85 1.04 -0.00 0.00 0.00 177.93 177.27 1wjp n GLN 89 N -3.50 0.65 0.04 5.26 6.02 -0.33 -2.78 117.38 122.74 1wjp n GLN 89 Ca -0.01 -0.01 0.06 0.00 -0.01 0.00 0.00 57.00 57.02 1wjp n GLN 89 Cb 0.29 -1.62 -0.07 0.00 1.02 0.00 0.00 30.24 29.85 1wjp n GLN 89 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1wjp n VAL 90 N -2.59 0.77 -0.07 5.09 0.31 -0.23 0.23 118.33 121.85 1wjp n VAL 90 Ca -0.13 -0.62 -0.21 0.00 -0.01 0.00 0.00 64.34 63.37 1wjp n VAL 90 Cb 0.79 -0.43 -0.13 0.00 -0.91 0.00 0.00 33.84 33.16 1wjp n VAL 90 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wjp n GLU 91 N -2.68 0.68 -0.02 5.55 1.02 0.25 -3.56 120.64 121.87 1wjp n GLU 91 Ca -0.07 0.27 -0.01 0.00 -0.02 0.00 0.00 57.16 57.33 1wjp n GLU 91 Cb 0.70 -1.63 -0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1wjp n GLU 91 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wjp h VAL 92 N -0.23 0.00 0.00 2.62 2.07 -1.65 -3.40 116.25 115.67 1wjp h VAL 92 Ca -0.50 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 66.54 1wjp h VAL 92 Cb 1.84 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1wjp h VAL 92 CO -0.07 0.00 -0.64 0.45 0.02 0.00 0.00 177.57 177.33 1wjp h HIS 93 N -0.35 0.00 -4.93 1.57 3.86 -1.58 -3.48 115.15 110.25 1wjp h HIS 93 Ca 0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.95 1wjp h HIS 93 Cb 0.14 0.00 0.14 0.00 1.06 0.00 0.00 27.41 28.74 1wjp h HIS 93 CO -0.06 0.64 -0.62 0.09 0.86 0.00 0.00 177.93 178.84 1wjp n ASN 94 N -3.71 -2.08 -4.08 2.45 3.02 0.64 -4.92 115.26 106.58 1wjp n ASN 94 Ca -0.01 -0.50 -0.34 0.00 -0.03 0.00 0.00 54.58 53.71 1wjp n ASN 94 Cb 0.65 -4.21 -0.13 0.00 -0.61 0.00 0.00 39.78 35.48 1wjp n ASN 94 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1wjp s GLN 95 N -5.08 1.78 -0.32 3.52 -1.52 0.95 -4.91 119.66 114.09 1wjp s GLN 95 Ca 0.01 -1.83 -0.03 0.00 -1.95 0.00 0.00 55.36 51.55 1wjp s GLN 95 Cb -0.00 -3.41 0.05 0.00 -0.22 0.00 0.00 33.01 29.43 1wjp s GLN 95 CO 0.59 -1.00 2.65 0.27 -0.25 0.00 0.00 175.29 177.54 1wjp n ASN 96 N 4.44 6.21 -4.15 5.90 6.94 -1.26 -4.50 115.26 128.84 1wjp n ASN 96 Ca 0.00 -3.01 -0.29 0.00 -0.02 0.00 0.00 54.58 51.27 1wjp n ASN 96 Cb 0.42 -1.21 0.18 0.00 -2.36 0.00 0.00 39.78 36.81 1wjp n ASN 96 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1wjp s ASN 97 N 0.66 3.18 0.20 0.53 3.84 -1.26 -4.96 114.94 117.13 1wjp s ASN 97 Ca 0.49 0.09 -0.23 0.00 0.21 0.00 0.00 52.86 53.42 1wjp s ASN 97 Cb 0.31 -0.13 -0.14 0.00 -0.55 0.00 0.00 41.25 40.74 1wjp s ASN 97 CO -0.11 -2.67 0.38 0.23 -2.79 0.00 0.00 177.10 172.14 1wjp n MET 98 N -3.65 0.00 -5.00 0.43 2.81 -1.26 -4.96 117.12 105.49 1wjp n MET 98 Ca 0.16 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.75 1wjp n MET 98 Cb 0.59 -0.84 -0.15 0.00 -0.71 0.00 0.00 33.22 32.11 1wjp n MET 98 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wjp s ALA 99 N -0.94 2.27 -0.35 3.04 0.00 -1.26 -5.09 121.76 119.44 1wjp s ALA 99 Ca 0.53 -1.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.00 1wjp s ALA 99 Cb -0.75 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1wjp s ALA 99 CO 0.48 0.54 1.70 -1.25 0.00 0.00 0.00 175.76 177.23 1wjp s PRO 100 N -1.05 3.38 0.40 0.00 0.04 -1.26 -4.99 135.00 131.52 1wjp s PRO 100 Ca 0.11 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.22 1wjp s PRO 100 Cb -0.10 -4.16 -0.10 0.00 0.04 0.00 0.00 34.50 30.18 1wjp s PRO 100 CO 0.01 -1.80 0.96 -0.08 0.04 0.00 0.00 177.00 176.14 1wjp s THR 101 N 6.56 4.24 0.06 1.26 -1.32 -1.26 -4.95 115.64 120.22 1wjp s THR 101 Ca 0.75 1.55 -0.35 0.00 -1.21 0.00 0.00 61.69 62.44 1wjp s THR 101 Cb -0.20 -3.72 -0.19 0.00 -1.51 0.00 0.00 72.50 66.87 1wjp s THR 101 CO 0.33 -0.15 1.53 0.28 -2.21 0.00 0.00 174.62 174.40 1wjp h SER 102 N 2.31 -0.95 -4.80 8.08 0.02 -2.06 -3.49 113.55 112.65 1wjp h SER 102 Ca -0.48 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1wjp h SER 102 Cb 1.19 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1wjp h SER 102 CO 0.62 -0.66 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 1wjp n GLY 103 N -1.45 0.62 3.77 -3.77 0.00 -1.26 -4.99 105.19 98.11 1wjp n GLY 103 Ca -0.15 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 1wjp n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wjp s PRO 104 N -1.92 3.83 -0.63 1.61 0.04 -1.26 -4.94 135.00 131.73 1wjp s PRO 104 Ca 0.00 1.80 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 1wjp s PRO 104 Cb 0.00 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 32.06 1wjp s PRO 104 CO 0.00 -0.50 1.64 -1.12 0.04 0.00 0.00 177.00 177.06 1wjp s SER 105 N -1.29 5.66 -0.81 6.66 0.01 -1.26 -4.93 113.70 117.73 1wjp s SER 105 Ca 0.62 0.15 -0.12 0.00 1.31 0.00 0.00 55.95 57.91 1wjp s SER 105 Cb -0.29 -2.54 0.21 0.00 0.21 0.00 0.00 66.02 63.61 1wjp s SER 105 CO 0.36 -2.11 0.73 -0.44 0.41 0.00 0.00 173.24 172.19 1wjp s SER 106 N 6.31 6.53 0.00 2.44 0.01 -1.26 -5.35 113.70 122.38 1wjp s SER 106 Ca 0.57 -2.78 0.00 0.00 1.31 0.00 0.00 55.95 55.05 1wjp s SER 106 Cb -0.11 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1wjp s SER 106 CO 0.20 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.94