#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.04 -6.45 7.83 4.64 -2.14 -3.48 113.55 114.00 2kb4 h SER 2 Ca 0.00 -0.67 -0.38 0.00 -0.47 0.00 0.00 61.79 60.27 2kb4 h SER 2 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2kb4 h SER 2 CO 0.00 0.71 -0.92 0.47 -0.87 0.00 0.00 176.83 176.22 2kb4 n ASP 3 N -4.73 -5.52 -4.17 4.97 8.00 -1.26 -4.98 116.55 108.87 2kb4 n ASP 3 Ca -0.09 -0.66 -0.34 0.00 0.71 0.00 0.00 54.79 54.41 2kb4 n ASP 3 Cb 0.35 -2.38 -0.15 0.00 -0.02 0.00 0.00 41.12 38.92 2kb4 n ASP 3 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2kb4 s ASN 4 N -2.77 3.46 -0.40 -2.24 3.84 -1.26 -5.08 114.94 110.50 2kb4 s ASN 4 Ca 0.06 -0.60 -0.18 0.00 0.21 0.00 0.00 52.86 52.35 2kb4 s ASN 4 Cb -0.01 -1.55 0.01 0.00 -0.55 0.00 0.00 41.25 39.15 2kb4 s ASN 4 CO 0.87 -0.01 0.51 0.20 -2.79 0.00 0.00 177.10 175.88 2kb4 s ASN 5 N 1.34 6.27 -0.24 -4.21 0.01 -1.26 -5.03 114.94 111.81 2kb4 s ASN 5 Ca 0.05 -0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 51.75 2kb4 s ASN 5 Cb -0.13 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 2kb4 s ASN 5 CO -0.10 -0.58 0.21 -0.83 -1.51 0.00 0.00 177.10 174.29 2kb4 s GLY 6 N 1.84 1.99 -0.19 0.66 0.00 -1.26 -5.07 107.32 105.29 2kb4 s GLY 6 Ca 0.17 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 43.87 2kb4 s GLY 6 CO 0.15 0.54 0.39 -0.51 0.00 0.00 0.00 173.10 173.66 2kb4 s THR 7 N 1.27 5.21 0.15 0.90 -4.23 -1.26 -5.05 115.64 112.63 2kb4 s THR 7 Ca 0.10 0.70 -0.31 0.00 -1.18 0.00 0.00 61.69 61.00 2kb4 s THR 7 Cb -0.14 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 69.88 2kb4 s THR 7 CO 0.06 0.27 1.53 -2.84 -0.54 0.00 0.00 174.62 173.11 2kb4 s PRO 8 N 1.17 4.24 -0.62 3.99 0.02 -1.26 -4.98 135.00 137.56 2kb4 s PRO 8 Ca 0.19 2.30 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 2kb4 s PRO 8 Cb -0.15 -3.20 0.16 0.00 0.02 0.00 0.00 34.50 31.34 2kb4 s PRO 8 CO 0.08 -0.58 0.53 -1.21 -0.33 0.00 0.00 177.00 175.49 2kb4 s GLU 9 N 1.21 2.97 0.73 5.54 2.02 -1.26 -5.07 118.70 124.83 2kb4 s GLU 9 Ca 0.69 -2.06 0.00 0.00 0.02 0.00 0.00 54.97 53.62 2kb4 s GLU 9 Cb -0.42 -4.15 0.14 0.00 0.10 0.00 0.00 34.13 29.79 2kb4 s GLU 9 CO 0.31 -1.26 1.00 -1.25 0.02 0.00 0.00 175.26 174.08 2kb4 s PRO 10 N 0.88 1.62 -0.22 0.39 0.04 -1.26 -4.87 135.00 131.57 2kb4 s PRO 10 Ca 0.10 -1.24 -0.05 0.00 0.04 0.00 0.00 61.00 59.85 2kb4 s PRO 10 Cb -0.22 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 31.98 2kb4 s PRO 10 CO -0.03 -1.49 0.19 1.04 0.04 0.00 0.00 177.00 176.76 2kb4 n GLN 11 N -2.83 -1.77 -3.64 4.56 6.02 -1.26 -5.00 117.38 113.47 2kb4 n GLN 11 Ca 0.16 1.68 -0.33 0.00 -0.01 0.00 0.00 57.00 58.50 2kb4 n GLN 11 Cb 0.61 -3.85 -0.08 0.00 1.02 0.00 0.00 30.24 27.94 2kb4 n GLN 11 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2kb4 n VAL 12 N 0.01 2.74 -3.78 5.09 0.31 -1.26 -4.99 118.33 116.44 2kb4 n VAL 12 Ca 0.04 -5.12 -0.15 0.00 -0.01 0.00 0.00 64.34 59.10 2kb4 n VAL 12 Cb 0.14 -2.27 -0.16 0.00 -0.91 0.00 0.00 33.84 30.64 2kb4 n VAL 12 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2kb4 s GLU 13 N -1.66 -0.03 -0.42 5.55 2.12 -1.26 -5.06 118.70 117.93 2kb4 s GLU 13 Ca 0.29 0.17 0.06 0.00 0.36 0.00 0.00 54.97 55.84 2kb4 s GLU 13 Cb -0.02 -0.22 0.20 0.00 0.26 0.00 0.00 34.13 34.35 2kb4 s GLU 13 CO -0.11 -0.15 0.48 2.41 -0.54 0.00 0.00 175.26 177.35 2kb4 n THR 14 N 4.05 -0.84 -3.31 -1.70 -1.04 -1.26 -5.06 114.28 105.11 2kb4 n THR 14 Ca -0.26 -3.13 -0.47 0.00 -2.04 0.00 0.00 64.05 58.15 2kb4 n THR 14 Cb 0.51 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.83 2kb4 n THR 14 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2kb4 s THR 15 N -0.12 5.57 -0.58 12.58 2.01 -1.26 -4.86 115.64 128.98 2kb4 s THR 15 Ca 0.33 -2.41 0.06 0.00 0.31 0.00 0.00 61.69 59.98 2kb4 s THR 15 Cb 0.08 -4.48 0.25 0.00 0.01 0.00 0.00 72.50 68.36 2kb4 s THR 15 CO -0.16 -1.04 0.69 -1.20 -0.69 0.00 0.00 174.62 172.21 2kb4 n SER 16 N 4.10 2.85 -4.83 3.53 7.64 -1.26 -5.08 113.62 120.58 2kb4 n SER 16 Ca 0.13 -3.25 -0.28 0.00 1.01 0.00 0.00 58.87 56.48 2kb4 n SER 16 Cb 0.47 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 2kb4 n SER 16 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2kb4 s VAL 17 N -2.13 4.73 -0.61 0.44 -7.23 -1.26 -4.69 120.40 109.65 2kb4 s VAL 17 Ca 0.38 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.65 2kb4 s VAL 17 Cb 0.15 -3.36 0.01 0.00 0.56 0.00 0.00 36.38 33.74 2kb4 s VAL 17 CO -0.04 0.01 0.66 0.49 -0.31 0.00 0.00 175.10 175.90 2kb4 n PHE 18 N -0.01 -3.17 -4.34 2.82 3.72 -1.26 -5.01 117.46 110.21 2kb4 n PHE 18 Ca -0.08 1.24 -0.34 0.00 -0.05 0.00 0.00 57.45 58.23 2kb4 n PHE 18 Cb 0.53 -4.04 -0.09 0.00 -0.94 0.00 0.00 39.48 34.93 2kb4 n PHE 18 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2kb4 s ARG 19 N -2.87 2.89 -1.20 -1.08 0.52 -1.26 -5.02 118.95 110.92 2kb4 s ARG 19 Ca 0.11 -0.51 -0.13 0.00 -0.52 0.00 0.00 55.73 54.68 2kb4 s ARG 19 Cb -0.03 -2.73 0.18 0.00 0.52 0.00 0.00 34.95 32.90 2kb4 s ARG 19 CO 0.76 0.66 1.43 0.00 0.02 0.00 0.00 175.30 178.17 2kb4 n ALA 20 N 1.78 4.00 0.06 2.13 0.00 -1.26 -4.78 120.51 122.44 2kb4 n ALA 20 Ca -0.17 -4.30 -0.12 0.00 0.00 0.00 0.00 53.44 48.85 2kb4 n ALA 20 Cb 0.53 -2.98 -0.07 0.00 0.00 0.00 0.00 19.45 16.93 2kb4 n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kb4 h ASP 21 N 6.99 -0.08 -2.94 0.00 3.32 -2.04 -3.41 116.42 118.25 2kb4 h ASP 21 Ca 0.31 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.12 2kb4 h ASP 21 Cb 0.86 0.03 -0.34 0.00 0.22 0.00 0.00 39.33 40.10 2kb4 h ASP 21 CO 1.24 -0.05 -0.57 -0.22 -1.72 0.00 0.00 179.24 177.92 2kb4 s LEU 22 N -10.20 -0.22 -0.47 1.55 2.96 -1.26 -5.09 118.68 105.95 2kb4 s LEU 22 Ca -0.13 0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 54.20 2kb4 s LEU 22 Cb 0.06 0.54 0.12 0.00 0.50 0.00 0.00 46.19 47.41 2kb4 s LEU 22 CO 0.66 -0.24 0.31 -0.22 -1.32 0.00 0.00 176.35 175.54 2kb4 s LEU 23 N 2.37 5.52 -0.36 -0.68 0.20 -1.26 -4.97 118.68 119.50 2kb4 s LEU 23 Ca 0.02 -2.07 0.01 0.00 0.69 0.00 0.00 54.13 52.78 2kb4 s LEU 23 Cb -0.12 -1.93 0.14 0.00 -0.43 0.00 0.00 46.19 43.85 2kb4 s LEU 23 CO -0.07 -0.60 0.24 -0.75 -0.29 0.00 0.00 176.35 174.87 2kb4 s LYS 24 N 1.11 0.59 0.36 1.98 2.47 -1.26 -5.12 119.74 119.87 2kb4 s LYS 24 Ca 0.08 -1.38 -0.25 0.00 -1.56 0.00 0.00 55.97 52.86 2kb4 s LYS 24 Cb -0.24 -1.26 -0.10 0.00 -1.46 0.00 0.00 37.83 34.77 2kb4 s LYS 24 CO -0.03 -1.23 0.99 -1.21 0.16 0.00 0.00 175.35 174.03 2kb4 s GLU 25 N 0.99 4.39 0.02 4.03 0.41 -1.26 -5.00 118.70 122.28 2kb4 s GLU 25 Ca 0.20 1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 55.85 2kb4 s GLU 25 Cb -0.19 -2.65 -0.06 0.00 -1.78 0.00 0.00 34.13 29.44 2kb4 s GLU 25 CO -0.02 0.09 1.46 -1.64 -0.49 0.00 0.00 175.26 174.66 2kb4 s MET 26 N -2.31 4.26 0.01 1.61 -1.94 -1.26 -4.89 119.30 114.78 2kb4 s MET 26 Ca 0.54 2.05 -0.00 0.00 -1.71 0.00 0.00 55.69 56.57 2kb4 s MET 26 Cb -0.19 -3.58 -0.00 0.00 2.01 0.00 0.00 34.83 33.07 2kb4 s MET 26 CO 0.25 -0.61 -0.01 -1.91 -0.01 0.00 0.00 175.02 172.73 2kb4 n GLU 27 N 5.42 0.01 -3.37 2.03 0.00 -1.26 -4.90 120.64 118.57 2kb4 n GLU 27 Ca 0.14 0.01 -0.45 0.00 0.00 0.00 0.00 57.16 56.85 2kb4 n GLU 27 Cb 0.43 -0.17 -0.04 0.00 0.00 0.00 0.00 31.44 31.66 2kb4 n GLU 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2kb4 s SER 28 N -4.98 6.39 0.28 4.31 0.01 -1.26 -4.84 113.70 113.61 2kb4 s SER 28 Ca -0.01 -2.37 0.18 0.00 1.31 0.00 0.00 55.95 55.06 2kb4 s SER 28 Cb 0.00 -2.17 0.09 0.00 0.21 0.00 0.00 66.02 64.16 2kb4 s SER 28 CO 0.01 -0.65 1.37 0.77 0.41 0.00 0.00 173.24 175.14 2kb4 h SER 29 N 8.11 0.00 -1.61 2.44 4.64 -2.00 -3.46 113.55 121.67 2kb4 h SER 29 Ca -0.05 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.79 2kb4 h SER 29 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 2kb4 h SER 29 CO 0.85 0.36 -0.37 -0.89 -0.87 0.00 0.00 176.83 175.91 2kb4 s THR 30 N -3.04 3.07 -1.35 2.95 2.01 -1.26 -5.01 115.64 113.01 2kb4 s THR 30 Ca 0.03 -1.26 -0.09 0.00 0.31 0.00 0.00 61.69 60.68 2kb4 s THR 30 Cb 0.07 -3.08 0.12 0.00 0.01 0.00 0.00 72.50 69.62 2kb4 s THR 30 CO 0.74 -0.06 2.11 0.61 -0.69 0.00 0.00 174.62 177.34 2kb4 n GLY 31 N -1.57 4.76 3.87 4.40 0.00 -1.26 -4.95 105.19 110.43 2kb4 n GLY 31 Ca 0.03 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 2kb4 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb4 s THR 32 N 0.73 4.96 -0.22 2.61 -4.23 -1.26 -5.05 115.64 113.18 2kb4 s THR 32 Ca 0.46 0.53 -0.28 0.00 -1.18 0.00 0.00 61.69 61.22 2kb4 s THR 32 Cb 0.13 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.31 2kb4 s THR 32 CO -0.03 0.10 0.96 0.00 -0.54 0.00 0.00 174.62 175.11 2kb4 s ALA 33 N -1.62 3.64 -0.00 3.99 0.00 -1.26 -5.00 121.76 121.51 2kb4 s ALA 33 Ca 0.41 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 2kb4 s ALA 33 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2kb4 s ALA 33 CO 0.20 -0.95 1.20 -1.25 0.00 0.00 0.00 175.76 174.96 2kb4 s PRO 34 N 2.93 4.39 -0.41 0.00 0.04 -1.26 -4.97 135.00 135.72 2kb4 s PRO 34 Ca 0.41 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.22 2kb4 s PRO 34 Cb -0.15 -3.47 0.18 0.00 0.04 0.00 0.00 34.50 31.10 2kb4 s PRO 34 CO 0.08 -0.36 0.36 0.00 0.04 0.00 0.00 177.00 177.11 2kb4 n ALA 35 N 4.62 2.82 -2.69 8.56 0.00 -1.26 -5.04 120.51 127.53 2kb4 n ALA 35 Ca 0.10 -3.13 -0.09 0.00 0.00 0.00 0.00 53.44 50.32 2kb4 n ALA 35 Cb 0.46 -0.76 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 2kb4 n ALA 35 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kb4 s SER 36 N -0.05 0.04 0.21 0.00 0.01 -1.26 -5.17 113.70 107.48 2kb4 s SER 36 Ca 0.33 -0.70 0.05 0.00 1.31 0.00 0.00 55.95 56.95 2kb4 s SER 36 Cb 0.05 0.40 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 2kb4 s SER 36 CO -0.19 -0.82 -0.08 0.28 0.41 0.00 0.00 173.24 172.84 2kb4 s THR 37 N -3.90 1.35 -0.11 1.44 -1.32 -1.26 -4.62 115.64 107.22 2kb4 s THR 37 Ca 0.10 -2.10 0.07 0.00 -1.21 0.00 0.00 61.69 58.55 2kb4 s THR 37 Cb 0.04 -2.14 0.18 0.00 -1.51 0.00 0.00 72.50 69.07 2kb4 s THR 37 CO -0.06 -0.51 1.17 0.61 -2.21 0.00 0.00 174.62 173.61 2kb4 n GLY 38 N -0.37 1.04 0.27 6.08 0.00 -1.26 -4.95 105.19 106.00 2kb4 n GLY 38 Ca -0.07 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.91 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 0.50 1.12 0.00 4.61 0.00 -1.84 0.69 119.26 124.33 2kb4 h ALA 39 Ca -0.48 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 2kb4 h ALA 39 Cb 1.42 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2kb4 h ALA 39 CO -0.20 0.12 -1.06 1.05 0.00 0.00 0.00 179.25 179.16 2kb4 h GLU 40 N 0.00 0.00 0.17 0.00 4.11 -1.93 -3.36 114.58 113.57 2kb4 h GLU 40 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.18 2kb4 h GLU 40 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.69 2kb4 h GLU 40 CO 0.01 0.54 -1.11 -0.97 0.07 0.00 0.00 179.01 177.55 2kb4 h ASN 41 N 0.00 0.56 -3.37 3.06 -1.24 -1.43 -3.44 115.58 109.72 2kb4 h ASN 41 Ca -0.09 -0.93 -0.55 0.00 0.71 0.00 0.00 56.30 55.44 2kb4 h ASN 41 Cb 1.62 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 40.45 2kb4 h ASN 41 CO 0.08 1.53 -0.03 -0.76 -1.29 0.00 0.00 177.43 176.95 2kb4 s LEU 42 N -7.74 4.36 -0.26 0.34 2.01 0.05 -4.98 118.68 112.45 2kb4 s LEU 42 Ca -0.13 1.18 -0.28 0.00 0.01 0.00 0.00 54.13 54.91 2kb4 s LEU 42 Cb 0.02 -3.31 -0.05 0.00 0.01 0.00 0.00 46.19 42.87 2kb4 s LEU 42 CO 0.85 0.10 2.24 -2.16 1.01 0.00 0.00 176.35 178.39 2kb4 s PRO 43 N -1.87 2.97 0.43 1.29 0.04 -1.26 -4.72 135.00 131.88 2kb4 s PRO 43 Ca 0.38 1.91 -0.26 0.00 0.04 0.00 0.00 61.00 63.07 2kb4 s PRO 43 Cb -0.16 -4.40 -0.09 0.00 0.04 0.00 0.00 34.50 29.89 2kb4 s PRO 43 CO 0.20 -2.28 1.46 0.00 0.04 0.00 0.00 177.00 176.41 2kb4 n ALA 44 N 12.31 2.17 -2.85 8.56 0.00 -1.26 -4.96 120.51 134.48 2kb4 n ALA 44 Ca 0.31 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.91 2kb4 n ALA 44 Cb 0.47 -2.41 0.03 0.00 0.00 0.00 0.00 19.45 17.54 2kb4 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 45 N 0.53 0.82 3.93 0.00 0.00 -1.24 -4.36 105.19 104.88 2kb4 n GLY 45 Ca 0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N -1.57 6.04 0.34 1.61 0.01 -0.58 -4.80 113.70 114.75 2kb4 s SER 46 Ca 0.31 0.58 0.05 0.00 1.31 0.00 0.00 55.95 58.21 2kb4 s SER 46 Cb 0.24 -1.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.54 2kb4 s SER 46 CO -0.18 -0.62 0.21 0.00 0.41 0.00 0.00 173.24 173.06 2kb4 s ALA 47 N -2.62 2.11 0.07 1.44 0.00 -1.26 0.03 121.76 121.53 2kb4 s ALA 47 Ca 0.47 -1.78 0.09 0.00 0.00 0.00 0.00 51.96 50.74 2kb4 s ALA 47 Cb -0.10 1.24 -0.03 0.00 0.00 0.00 0.00 23.12 24.22 2kb4 s ALA 47 CO 0.41 -0.55 -0.23 -0.48 0.00 0.00 0.00 175.76 174.90 2kb4 s LEU 48 N -3.42 2.39 -0.06 0.00 2.34 -1.07 -2.06 118.68 116.79 2kb4 s LEU 48 Ca 0.35 -0.58 0.04 0.00 0.06 0.00 0.00 54.13 54.00 2kb4 s LEU 48 Cb 0.03 -1.36 0.00 0.00 -0.56 0.00 0.00 46.19 44.30 2kb4 s LEU 48 CO 0.22 0.23 -0.19 -1.48 -1.06 0.00 0.00 176.35 174.07 2kb4 s LEU 49 N -1.61 1.92 0.04 1.48 2.34 0.01 -0.27 118.68 122.59 2kb4 s LEU 49 Ca 0.14 -0.41 0.07 0.00 0.06 0.00 0.00 54.13 53.98 2kb4 s LEU 49 Cb -0.10 -1.10 -0.02 0.00 -0.56 0.00 0.00 46.19 44.41 2kb4 s LEU 49 CO 0.05 0.14 -0.19 -0.69 -1.06 0.00 0.00 176.35 174.60 2kb4 s VAL 50 N 0.21 1.53 -0.16 1.48 1.01 0.69 -0.24 120.40 124.93 2kb4 s VAL 50 Ca -0.10 -1.13 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 2kb4 s VAL 50 Cb -0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2kb4 s VAL 50 CO 0.04 0.18 0.46 -0.69 0.00 0.00 0.00 175.10 175.09 2kb4 s VAL 51 N -0.78 5.18 -0.17 2.92 1.01 -1.02 -0.18 120.40 127.35 2kb4 s VAL 51 Ca 0.06 0.89 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 2kb4 s VAL 51 Cb -0.08 -3.80 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 2kb4 s VAL 51 CO 0.01 0.28 0.16 0.29 0.00 0.00 0.00 175.10 175.84 2kb4 n LYS 52 N 4.09 0.70 -3.35 2.72 4.76 -0.17 -4.57 118.16 122.34 2kb4 n LYS 52 Ca -0.07 0.21 0.02 0.00 -2.87 0.00 0.00 58.31 55.60 2kb4 n LYS 52 Cb 0.51 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 2kb4 n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2kb4 s ARG 53 N -2.54 0.56 0.00 1.97 6.06 -1.12 -5.01 118.95 118.87 2kb4 s ARG 53 Ca -0.24 1.17 0.00 0.00 -2.50 0.00 0.00 55.73 54.15 2kb4 s ARG 53 Cb 0.08 0.67 0.00 0.00 0.06 0.00 0.00 34.95 35.76 2kb4 s ARG 53 CO 0.72 -0.43 0.00 0.41 -2.50 0.00 0.00 175.30 173.49 2kb4 n GLY 54 N 5.43 3.03 0.02 8.12 0.00 -1.26 -0.74 105.19 119.79 2kb4 n GLY 54 Ca -0.06 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N 0.00 0.02 -0.27 1.61 -0.02 -1.26 -2.84 135.00 132.24 2kb4 n PRO 55 Ca 0.00 0.51 0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2kb4 n PRO 55 Cb 0.00 -1.57 0.44 0.00 -0.02 0.00 0.00 33.50 32.36 2kb4 n PRO 55 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2kb4 h ASN 56 N 0.00 0.54 -0.09 2.55 -1.07 -1.94 -3.46 115.58 112.11 2kb4 h ASN 56 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.42 2kb4 h ASN 56 Cb 0.01 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.21 2kb4 h ASN 56 CO 0.00 0.23 0.00 0.00 0.07 0.00 0.00 177.43 177.73 2kb4 n ALA 57 N -2.46 0.00 0.00 4.14 0.00 -1.13 -4.34 120.51 116.72 2kb4 n ALA 57 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2kb4 n ALA 57 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N 0.00 -1.82 2.46 0.00 0.00 -1.26 -4.63 105.19 99.94 2kb4 n GLY 58 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 46.02 46.79 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N 0.00 -1.40 -2.79 4.61 0.00 -1.26 -4.97 120.51 114.70 2kb4 n ALA 59 Ca 0.00 -0.76 -0.35 0.00 0.00 0.00 0.00 53.44 52.33 2kb4 n ALA 59 Cb 0.00 0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -2.05 3.51 0.12 0.00 1.70 -1.26 -2.44 118.95 118.54 2kb4 s ARG 60 Ca 0.12 -0.30 0.10 0.00 -0.47 0.00 0.00 55.73 55.18 2kb4 s ARG 60 Cb -0.03 -3.08 -0.04 0.00 -0.57 0.00 0.00 34.95 31.24 2kb4 s ARG 60 CO 0.06 0.56 -0.25 -0.06 -1.08 0.00 0.00 175.30 174.53 2kb4 s PHE 61 N -0.44 2.13 -0.08 5.89 0.08 0.67 -4.98 117.98 121.25 2kb4 s PHE 61 Ca 0.10 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.78 2kb4 s PHE 61 Cb -0.12 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 2kb4 s PHE 61 CO 0.02 0.29 -0.15 -1.17 -0.10 0.00 0.00 175.22 174.11 2kb4 s LEU 62 N -2.00 2.68 -0.40 -0.37 2.96 -1.26 -0.81 118.68 119.48 2kb4 s LEU 62 Ca 0.11 -0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.46 2kb4 s LEU 62 Cb -0.10 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.05 2kb4 s LEU 62 CO 0.05 0.27 1.12 -0.76 -1.32 0.00 0.00 176.35 175.72 2kb4 s LEU 63 N -0.28 3.77 0.00 -0.68 1.43 -0.88 -4.75 118.68 117.29 2kb4 s LEU 63 Ca 0.02 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 2kb4 s LEU 63 Cb -0.13 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2kb4 s LEU 63 CO 0.03 -1.09 0.45 -0.90 0.23 0.00 0.00 176.35 175.06 2kb4 n ASP 64 N 7.45 0.89 -4.42 2.29 5.75 -1.26 -4.54 116.55 122.71 2kb4 n ASP 64 Ca 0.12 -0.97 -0.32 0.00 -0.01 0.00 0.00 54.79 53.61 2kb4 n ASP 64 Cb 0.48 0.06 -0.14 0.00 -1.03 0.00 0.00 41.12 40.49 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kb4 s GLN 65 N -0.06 2.52 0.43 0.11 -0.21 -1.26 -4.58 119.66 116.61 2kb4 s GLN 65 Ca 0.00 -0.75 0.12 0.00 0.02 0.00 0.00 55.36 54.75 2kb4 s GLN 65 Cb 0.00 -2.32 0.94 0.00 1.00 0.00 0.00 33.01 32.63 2kb4 s GLN 65 CO 0.00 0.56 1.98 -1.00 -2.12 0.00 0.00 175.29 174.71 2kb4 h PRO 66 N 5.55 0.11 -3.47 2.91 0.13 -1.88 -3.40 132.00 131.95 2kb4 h PRO 66 Ca -0.43 -0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.22 2kb4 h PRO 66 Cb 1.15 -0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.87 2kb4 h PRO 66 CO 0.50 0.24 -0.76 0.99 -0.23 0.00 0.00 178.00 178.74 2kb4 s THR 67 N -4.76 0.26 -0.29 1.56 2.01 -1.26 -1.43 115.64 111.74 2kb4 s THR 67 Ca -0.05 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 2kb4 s THR 67 Cb 0.16 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 72.04 2kb4 s THR 67 CO 0.71 -0.00 0.04 -0.89 -0.69 0.00 0.00 174.62 173.79 2kb4 s THR 68 N 2.00 3.60 -0.20 -0.82 2.01 0.89 -4.99 115.64 118.13 2kb4 s THR 68 Ca 0.03 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 2kb4 s THR 68 Cb -0.14 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2kb4 s THR 68 CO -0.07 0.07 0.45 0.42 -0.69 0.00 0.00 174.62 174.80 2kb4 s THR 69 N 1.43 5.16 -0.18 -0.82 -4.23 -1.26 -0.47 115.64 115.27 2kb4 s THR 69 Ca 0.01 0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 61.28 2kb4 s THR 69 Cb -0.17 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.87 2kb4 s THR 69 CO 0.00 0.22 -0.02 0.00 -0.54 0.00 0.00 174.62 174.29 2kb4 s ALA 70 N 1.44 2.99 0.01 3.99 0.00 0.19 -0.98 121.76 129.39 2kb4 s ALA 70 Ca 0.21 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2kb4 s ALA 70 Cb -0.15 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.32 2kb4 s ALA 70 CO 0.09 -0.02 0.23 0.41 0.00 0.00 0.00 175.76 176.47 2kb4 n GLY 71 N 4.00 0.77 3.14 0.00 0.00 -1.22 0.16 105.19 112.04 2kb4 n GLY 71 Ca -0.17 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 2kb4 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb4 s ARG 72 N -2.01 2.93 -0.28 1.61 3.00 0.87 -1.85 118.95 123.22 2kb4 s ARG 72 Ca 0.05 -2.70 -0.19 0.00 -1.00 0.00 0.00 55.73 51.90 2kb4 s ARG 72 Cb -0.00 -3.92 0.11 0.00 0.00 0.00 0.00 34.95 31.14 2kb4 s ARG 72 CO 0.00 -1.21 0.84 -1.58 0.00 0.00 0.00 175.30 173.35 2kb4 s HIS 73 N -0.33 -0.78 0.37 5.12 2.46 -1.26 -4.08 115.29 116.81 2kb4 s HIS 73 Ca 0.20 1.64 0.14 0.00 0.47 0.00 0.00 55.06 57.50 2kb4 s HIS 73 Cb -0.16 0.45 0.96 0.00 -0.13 0.00 0.00 32.58 33.70 2kb4 s HIS 73 CO -0.06 -0.38 1.81 -1.00 -2.47 0.00 0.00 174.74 172.64 2kb4 h PRO 74 N 5.94 0.52 -2.84 2.88 0.13 -1.94 -2.95 132.00 133.74 2kb4 h PRO 74 Ca -0.29 -0.03 -0.79 0.00 -0.87 0.00 0.00 66.00 64.02 2kb4 h PRO 74 Cb 1.20 -0.12 -0.29 0.00 0.13 0.00 0.00 31.00 31.92 2kb4 h PRO 74 CO 0.15 0.34 0.64 -0.85 -0.23 0.00 0.00 178.00 178.05 2kb4 n GLU 75 N -4.62 4.28 -4.48 0.86 0.28 -1.26 -4.93 120.64 110.77 2kb4 n GLU 75 Ca 0.22 -4.57 -0.23 0.00 -0.16 0.00 0.00 57.16 52.42 2kb4 n GLU 75 Cb 0.69 -2.48 -0.11 0.00 1.43 0.00 0.00 31.44 30.97 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kb4 s SER 76 N -1.85 2.71 0.05 -1.84 0.01 -1.12 -5.05 113.70 106.61 2kb4 s SER 76 Ca 0.32 -1.35 -0.12 0.00 1.31 0.00 0.00 55.95 56.11 2kb4 s SER 76 Cb 0.06 -0.16 -0.32 0.00 0.21 0.00 0.00 66.02 65.82 2kb4 s SER 76 CO 0.10 -0.54 1.07 0.44 0.41 0.00 0.00 173.24 174.71 2kb4 h ASP 77 N 2.07 0.74 -4.95 2.44 3.32 -1.41 -3.47 116.42 115.17 2kb4 h ASP 77 Ca -0.41 -0.76 -0.33 0.00 0.02 0.00 0.00 57.03 55.55 2kb4 h ASP 77 Cb 1.24 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.41 2kb4 h ASP 77 CO 0.72 1.59 -0.60 0.27 -1.72 0.00 0.00 179.24 179.49 2kb4 s ILE 78 N -2.72 0.31 -0.12 0.35 -4.36 -0.84 -4.96 121.20 108.87 2kb4 s ILE 78 Ca -0.08 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.27 2kb4 s ILE 78 Cb 0.05 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 2kb4 s ILE 78 CO 0.93 0.00 0.03 -0.36 0.24 0.00 0.00 174.94 175.78 2kb4 s PHE 79 N -3.86 3.24 -0.25 1.37 0.08 -1.26 -3.37 117.98 113.94 2kb4 s PHE 79 Ca 0.38 0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.60 2kb4 s PHE 79 Cb 0.07 -1.88 0.12 0.00 -0.57 0.00 0.00 43.02 40.75 2kb4 s PHE 79 CO 0.14 0.42 0.28 -1.17 -0.10 0.00 0.00 175.22 174.79 2kb4 s LEU 80 N -0.57 -0.24 -0.05 -0.37 0.20 -0.77 -4.35 118.68 112.53 2kb4 s LEU 80 Ca 0.10 -0.45 0.09 0.00 0.69 0.00 0.00 54.13 54.57 2kb4 s LEU 80 Cb -0.12 0.54 0.23 0.00 -0.43 0.00 0.00 46.19 46.41 2kb4 s LEU 80 CO 0.02 -0.36 1.17 -0.90 -0.29 0.00 0.00 176.35 176.00 2kb4 n ASP 81 N 5.32 2.65 0.00 3.68 5.75 -1.26 -2.47 116.55 130.22 2kb4 n ASP 81 Ca -0.03 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 2kb4 n ASP 81 Cb 0.48 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2kb4 n ASP 82 N -0.38 0.00 0.00 -1.12 5.68 -1.26 -4.88 116.55 114.59 2kb4 n ASP 82 Ca 0.10 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 2kb4 n ASP 82 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 2kb4 n ASP 82 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 2kb4 n VAL 83 N -0.10 0.00 -1.31 2.12 3.14 -1.26 -4.93 118.33 115.99 2kb4 n VAL 83 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 2kb4 n VAL 83 Cb 0.00 0.00 0.22 0.00 -1.06 0.00 0.00 33.84 33.00 2kb4 n VAL 83 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2kb4 n THR 84 N -1.99 2.61 -2.87 1.55 -1.04 -1.26 -4.96 114.28 106.32 2kb4 n THR 84 Ca 0.00 -2.40 -0.40 0.00 -2.04 0.00 0.00 64.05 59.21 2kb4 n THR 84 Cb 0.00 -0.33 -0.06 0.00 -1.82 0.00 0.00 70.33 68.12 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2kb4 s VAL 85 N -3.16 4.30 0.81 12.58 0.11 -1.26 -4.42 120.40 129.37 2kb4 s VAL 85 Ca 0.46 1.88 -0.06 0.00 -2.93 0.00 0.00 61.98 61.33 2kb4 s VAL 85 Cb 0.40 -4.23 0.16 0.00 -1.53 0.00 0.00 36.38 31.18 2kb4 s VAL 85 CO 0.04 0.48 1.12 -0.44 -3.33 0.00 0.00 175.10 172.97 2kb4 s SER 86 N -0.94 3.88 0.10 3.54 0.01 -1.26 -4.68 113.70 114.34 2kb4 s SER 86 Ca 0.39 -0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.32 2kb4 s SER 86 Cb -0.24 -0.10 -0.06 0.00 0.21 0.00 0.00 66.02 65.82 2kb4 s SER 86 CO 0.28 -2.19 1.58 0.03 0.41 0.00 0.00 173.24 173.35 2kb4 h ARG 87 N -0.94 0.44 -4.59 12.44 3.08 -1.93 0.25 114.38 123.13 2kb4 h ARG 87 Ca -0.39 -0.11 -0.63 0.00 0.07 0.00 0.00 59.98 58.92 2kb4 h ARG 87 Cb 1.25 -0.06 -0.37 0.00 0.08 0.00 0.00 29.97 30.88 2kb4 h ARG 87 CO 0.39 0.54 -0.80 -0.98 -1.07 0.00 0.00 179.97 178.05 2kb4 s ARG 88 N -5.24 1.98 -0.17 0.04 3.03 -1.26 -3.00 118.95 114.33 2kb4 s ARG 88 Ca -0.14 -1.02 -0.12 0.00 2.03 0.00 0.00 55.73 56.49 2kb4 s ARG 88 Cb 0.08 -2.60 -0.07 0.00 -1.03 0.00 0.00 34.95 31.33 2kb4 s ARG 88 CO 0.74 -0.51 -0.27 1.58 -1.13 0.00 0.00 175.30 175.70 2kb4 n HIS 89 N 4.62 0.00 -5.18 5.89 -0.00 0.12 -4.74 115.22 115.93 2kb4 n HIS 89 Ca -0.14 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.72 2kb4 n HIS 89 Cb 0.45 -0.58 -0.17 0.00 -0.12 0.00 0.00 29.99 29.56 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -2.54 2.17 -0.19 1.57 0.00 -0.56 -0.29 121.76 121.93 2kb4 s ALA 90 Ca -0.26 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 2kb4 s ALA 90 Cb 0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2kb4 s ALA 90 CO 0.35 0.27 0.03 -1.21 0.00 0.00 0.00 175.76 175.20 2kb4 s GLU 91 N 0.37 3.77 -0.32 0.00 2.02 0.40 -0.64 118.70 124.30 2kb4 s GLU 91 Ca -0.18 -0.45 -0.08 0.00 0.02 0.00 0.00 54.97 54.28 2kb4 s GLU 91 Cb -0.18 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 30.94 2kb4 s GLU 91 CO 0.08 0.13 0.13 -0.06 0.02 0.00 0.00 175.26 175.55 2kb4 s PHE 92 N 0.73 3.19 0.09 1.61 0.08 0.39 -1.38 117.98 122.69 2kb4 s PHE 92 Ca 0.01 -0.98 0.06 0.00 0.12 0.00 0.00 56.93 56.15 2kb4 s PHE 92 Cb -0.14 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 2kb4 s PHE 92 CO 0.02 -0.60 -0.16 -0.98 -0.10 0.00 0.00 175.22 173.40 2kb4 s ARG 93 N 1.51 0.94 -0.20 0.44 1.70 -0.36 -0.07 118.95 122.92 2kb4 s ARG 93 Ca 0.02 -1.07 -0.02 0.00 -0.47 0.00 0.00 55.73 54.20 2kb4 s ARG 93 Cb -0.18 -0.99 0.00 0.00 -0.57 0.00 0.00 34.95 33.21 2kb4 s ARG 93 CO 0.04 0.22 -0.12 -1.50 -1.08 0.00 0.00 175.30 172.86 2kb4 s ILE 94 N -1.42 2.77 0.01 4.99 1.10 -0.51 -0.89 121.20 127.25 2kb4 s ILE 94 Ca 0.02 -0.70 -0.02 0.00 -0.51 0.00 0.00 60.65 59.45 2kb4 s ILE 94 Cb -0.09 -2.23 -0.04 0.00 0.15 0.00 0.00 42.46 40.26 2kb4 s ILE 94 CO 0.03 0.48 0.16 0.21 -2.11 0.00 0.00 174.94 173.71 2kb4 s ASN 95 N 1.38 6.18 0.28 4.50 2.47 0.08 -4.84 114.94 124.98 2kb4 s ASN 95 Ca 0.05 0.27 0.17 0.00 0.42 0.00 0.00 52.86 53.78 2kb4 s ASN 95 Cb -0.14 -1.89 0.95 0.00 -1.45 0.00 0.00 41.25 38.72 2kb4 s ASN 95 CO -0.08 0.25 1.51 -1.84 -3.72 0.00 0.00 177.10 173.22 2kb4 n GLU 96 N 0.88 0.11 -0.03 0.43 -0.00 -1.26 -2.13 120.64 118.64 2kb4 n GLU 96 Ca -0.10 0.60 -0.01 0.00 -0.00 0.00 0.00 57.16 57.65 2kb4 n GLU 96 Cb 0.52 -1.93 -0.00 0.00 -0.00 0.00 0.00 31.44 30.03 2kb4 n GLU 96 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2kb4 h GLY 97 N 0.00 0.00 -1.79 -1.84 0.00 -2.03 -3.51 103.07 93.90 2kb4 h GLY 97 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2kb4 h GLY 97 CO 0.00 0.00 -0.26 -0.54 0.00 0.00 0.00 176.54 175.74 2kb4 s GLU 98 N -1.50 1.84 -0.10 4.80 2.02 -0.91 -5.14 118.70 119.71 2kb4 s GLU 98 Ca -0.05 -1.78 -0.19 0.00 0.02 0.00 0.00 54.97 52.98 2kb4 s GLU 98 Cb 0.01 0.42 -0.04 0.00 0.10 0.00 0.00 34.13 34.61 2kb4 s GLU 98 CO 0.07 -0.74 0.51 -0.06 0.02 0.00 0.00 175.26 175.06 2kb4 s PHE 99 N -3.21 3.54 -0.03 1.61 0.40 -1.26 -0.74 117.98 118.29 2kb4 s PHE 99 Ca 0.32 0.96 0.02 0.00 -0.60 0.00 0.00 56.93 57.64 2kb4 s PHE 99 Cb 0.00 -2.58 0.00 0.00 0.51 0.00 0.00 43.02 40.95 2kb4 s PHE 99 CO 0.21 0.18 -0.09 -2.00 0.70 0.00 0.00 175.22 174.22 2kb4 s GLU 100 N 0.55 0.97 -0.18 0.44 2.12 -0.06 -0.61 118.70 121.93 2kb4 s GLU 100 Ca 0.28 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.32 2kb4 s GLU 100 Cb -0.16 -0.91 0.02 0.00 0.26 0.00 0.00 34.13 33.35 2kb4 s GLU 100 CO 0.12 0.10 -0.19 0.54 -0.54 0.00 0.00 175.26 175.29 2kb4 s VAL 101 N 0.25 1.96 -0.12 3.70 0.11 -0.44 -1.22 120.40 124.64 2kb4 s VAL 101 Ca -0.04 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.14 2kb4 s VAL 101 Cb -0.09 -1.80 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 2kb4 s VAL 101 CO 0.01 0.51 -0.22 0.68 -3.33 0.00 0.00 175.10 172.74 2kb4 s VAL 102 N 1.32 2.17 -0.08 2.04 -7.23 -0.48 -1.80 120.40 116.35 2kb4 s VAL 102 Ca 0.05 -0.97 -0.18 0.00 -1.81 0.00 0.00 61.98 59.07 2kb4 s VAL 102 Cb -0.13 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 2kb4 s VAL 102 CO -0.12 0.55 0.48 -0.62 -0.31 0.00 0.00 175.10 175.08 2kb4 s ASP 103 N 0.51 6.74 -0.02 4.85 -1.08 -1.12 -0.45 116.67 126.10 2kb4 s ASP 103 Ca -0.14 0.88 0.08 0.00 -0.52 0.00 0.00 52.55 52.85 2kb4 s ASP 103 Cb -0.17 -2.29 0.20 0.00 -1.46 0.00 0.00 42.92 39.20 2kb4 s ASP 103 CO 0.05 0.07 1.16 1.33 0.52 0.00 0.00 175.17 178.31 2kb4 n VAL 104 N 3.21 1.17 -2.79 1.11 0.24 0.60 -4.69 118.33 117.19 2kb4 n VAL 104 Ca -0.08 -1.16 -0.25 0.00 -2.04 0.00 0.00 64.34 60.81 2kb4 n VAL 104 Cb 0.52 0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 33.25 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N -0.10 5.33 0.00 7.63 0.00 -1.16 -4.88 105.19 112.01 2kb4 n GLY 105 Ca 0.08 -2.60 0.06 0.00 0.00 0.00 0.00 46.02 43.57 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -0.27 0.00 -0.03 1.61 7.64 -1.26 -1.18 113.62 120.13 2kb4 n SER 106 Ca 0.32 0.36 -0.12 0.00 1.01 0.00 0.00 58.87 60.44 2kb4 n SER 106 Cb 0.53 -0.43 0.01 0.00 -1.01 0.00 0.00 64.21 63.31 2kb4 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb4 h LEU 107 N 0.00 0.77 0.15 -3.43 6.46 -1.92 -3.17 115.31 114.17 2kb4 h LEU 107 Ca 0.00 -0.41 -0.30 0.00 -0.12 0.00 0.00 57.88 57.05 2kb4 h LEU 107 Cb 0.19 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 39.91 2kb4 h LEU 107 CO 0.00 1.17 -1.48 -1.13 -0.62 0.00 0.00 178.44 176.37 2kb4 h ASN 108 N 0.53 0.50 -1.90 1.25 -1.24 -1.43 -3.50 115.58 109.78 2kb4 h ASN 108 Ca 0.01 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 56.12 2kb4 h ASN 108 Cb 1.13 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.01 2kb4 h ASN 108 CO 0.11 1.66 0.00 0.61 -1.29 0.00 0.00 177.43 178.53 2kb4 n GLY 109 N 1.78 -1.47 3.86 1.57 0.00 -0.33 -4.91 105.19 105.68 2kb4 n GLY 109 Ca -0.24 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N -0.16 5.36 0.31 2.61 2.01 -1.26 -3.42 115.64 121.09 2kb4 s THR 110 Ca 0.00 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.18 2kb4 s THR 110 Cb 0.00 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 2kb4 s THR 110 CO 0.00 0.60 0.02 -0.31 -0.69 0.00 0.00 174.62 174.25 2kb4 s TYR 111 N -1.03 1.96 0.03 4.92 1.51 0.62 -3.97 117.35 121.38 2kb4 s TYR 111 Ca 0.15 -0.88 0.08 0.00 -1.01 0.00 0.00 57.07 55.41 2kb4 s TYR 111 Cb -0.12 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2kb4 s TYR 111 CO 0.05 0.09 -0.23 0.54 -1.11 0.00 0.00 175.55 174.89 2kb4 s VAL 112 N -3.21 1.83 0.00 0.71 0.11 -1.02 -0.46 120.40 118.36 2kb4 s VAL 112 Ca 0.34 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2kb4 s VAL 112 Cb 0.07 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 2kb4 s VAL 112 CO 0.14 0.32 0.00 -3.20 -3.33 0.00 0.00 175.10 169.03 2kb4 n ASN 113 N 1.97 0.00 0.00 3.54 2.85 -0.59 0.01 115.26 123.04 2kb4 n ASN 113 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2kb4 n ASN 113 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 2kb4 n ASN 113 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 2kb4 n ARG 114 N 0.00 -0.27 -4.81 1.20 1.85 -1.26 -4.97 116.66 108.40 2kb4 n ARG 114 Ca 0.00 0.07 -0.26 0.00 -1.00 0.00 0.00 57.85 56.66 2kb4 n ARG 114 Cb 0.00 -3.90 -0.15 0.00 -1.05 0.00 0.00 32.46 27.36 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2kb4 s GLU 115 N -0.78 1.49 -0.76 2.89 2.02 0.10 -5.09 118.70 118.57 2kb4 s GLU 115 Ca 0.00 -0.81 -0.27 0.00 0.02 0.00 0.00 54.97 53.91 2kb4 s GLU 115 Cb 0.00 -1.51 0.03 0.00 0.10 0.00 0.00 34.13 32.74 2kb4 s GLU 115 CO 0.00 0.40 1.35 -1.25 0.02 0.00 0.00 175.26 175.78 2kb4 s PRO 116 N -0.80 3.18 -0.04 0.39 0.04 -1.26 -2.44 135.00 134.06 2kb4 s PRO 116 Ca 0.07 -0.26 -0.02 0.00 0.04 0.00 0.00 61.00 60.84 2kb4 s PRO 116 Cb -0.08 -4.32 0.03 0.00 0.04 0.00 0.00 34.50 30.17 2kb4 s PRO 116 CO 0.00 -2.22 0.07 1.03 0.04 0.00 0.00 177.00 175.92 2kb4 s ARG 117 N 5.79 -0.07 0.21 4.56 0.52 -1.26 -5.00 118.95 123.70 2kb4 s ARG 117 Ca 0.39 0.39 0.19 0.00 -0.52 0.00 0.00 55.73 56.17 2kb4 s ARG 117 Cb -0.08 -0.51 0.02 0.00 0.52 0.00 0.00 34.95 34.91 2kb4 s ARG 117 CO 0.13 -0.33 1.16 -0.97 0.02 0.00 0.00 175.30 175.30 2kb4 h ASN 118 N 8.44 0.00 -4.22 0.23 -1.24 -1.93 -3.36 115.58 113.50 2kb4 h ASN 118 Ca -0.12 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.31 2kb4 h ASN 118 Cb 1.12 0.00 -0.30 0.00 0.73 0.00 0.00 38.32 39.87 2kb4 h ASN 118 CO 0.15 0.33 -0.85 0.00 -1.29 0.00 0.00 177.43 175.78 2kb4 s ALA 119 N -3.08 1.61 0.01 1.57 0.00 -1.26 -2.79 121.76 117.82 2kb4 s ALA 119 Ca 0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 2kb4 s ALA 119 Cb 0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2kb4 s ALA 119 CO 0.77 0.36 0.02 -1.14 0.00 0.00 0.00 175.76 175.77 2kb4 s GLN 120 N -0.29 0.36 -0.19 0.00 2.00 -0.74 -5.05 119.66 115.74 2kb4 s GLN 120 Ca 0.04 -0.54 -0.24 0.00 -2.00 0.00 0.00 55.36 52.62 2kb4 s GLN 120 Cb -0.09 0.14 -0.01 0.00 0.80 0.00 0.00 33.01 33.84 2kb4 s GLN 120 CO 0.00 -0.07 0.78 0.54 -0.50 0.00 0.00 175.29 176.05 2kb4 s VAL 121 N -1.42 4.90 -0.21 1.34 0.11 -1.26 -1.33 120.40 122.53 2kb4 s VAL 121 Ca -0.15 1.51 -0.29 0.00 -2.93 0.00 0.00 61.98 60.12 2kb4 s VAL 121 Cb -0.09 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 2kb4 s VAL 121 CO -0.00 0.02 1.85 -0.32 -3.33 0.00 0.00 175.10 173.32 2kb4 s MET 122 N 2.27 3.58 -0.15 1.54 1.75 0.22 -4.91 119.30 123.60 2kb4 s MET 122 Ca 0.35 1.83 -0.06 0.00 -1.25 0.00 0.00 55.69 56.56 2kb4 s MET 122 Cb -0.16 -4.17 -0.04 0.00 2.84 0.00 0.00 34.83 33.30 2kb4 s MET 122 CO 0.11 -1.57 0.06 -1.14 -0.65 0.00 0.00 175.02 171.83 2kb4 s GLN 123 N 5.27 3.68 -0.04 4.11 0.74 -1.26 -4.66 119.66 127.50 2kb4 s GLN 123 Ca 0.83 -0.31 -0.27 0.00 0.05 0.00 0.00 55.36 55.65 2kb4 s GLN 123 Cb -0.29 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 30.67 2kb4 s GLN 123 CO 0.33 0.46 0.85 0.95 -0.55 0.00 0.00 175.29 177.33 2kb4 s THR 124 N -0.16 4.95 0.00 -0.34 -4.23 -1.26 -3.47 115.64 111.13 2kb4 s THR 124 Ca 0.07 1.76 0.00 0.00 -1.18 0.00 0.00 61.69 62.35 2kb4 s THR 124 Cb -0.12 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.53 2kb4 s THR 124 CO 0.01 0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 2kb4 n GLY 125 N 3.03 0.59 3.78 3.99 0.00 0.21 -4.82 105.19 111.96 2kb4 n GLY 125 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -1.99 4.29 -0.17 1.61 -1.08 -1.23 -4.90 116.67 113.20 2kb4 s ASP 126 Ca 0.00 -1.42 -0.04 0.00 -0.52 0.00 0.00 52.55 50.57 2kb4 s ASP 126 Cb 0.00 0.23 -0.03 0.00 -1.46 0.00 0.00 42.92 41.67 2kb4 s ASP 126 CO 0.00 -0.83 -0.03 -1.61 0.52 0.00 0.00 175.17 173.22 2kb4 s GLU 127 N -3.97 3.64 -0.12 4.34 2.02 -1.26 -1.64 118.70 121.70 2kb4 s GLU 127 Ca 0.22 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.70 2kb4 s GLU 127 Cb 0.02 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 2kb4 s GLU 127 CO 0.13 0.17 -0.17 0.42 0.02 0.00 0.00 175.26 175.83 2kb4 s ILE 128 N 0.56 2.73 -0.36 -1.63 1.01 0.98 -1.55 121.20 122.95 2kb4 s ILE 128 Ca -0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 2kb4 s ILE 128 Cb -0.14 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.23 2kb4 s ILE 128 CO 0.02 0.54 0.20 -1.58 0.00 0.00 0.00 174.94 174.12 2kb4 s GLN 129 N 0.31 2.95 -0.37 2.79 0.74 0.39 -0.79 119.66 125.69 2kb4 s GLN 129 Ca -0.13 -0.99 -0.17 0.00 0.05 0.00 0.00 55.36 54.12 2kb4 s GLN 129 Cb -0.16 -3.70 0.00 0.00 1.10 0.00 0.00 33.01 30.25 2kb4 s GLN 129 CO 0.07 -0.63 0.46 0.96 -0.55 0.00 0.00 175.29 175.60 2kb4 s ILE 130 N 1.57 5.06 0.00 -2.34 -5.25 0.08 -0.28 121.20 120.04 2kb4 s ILE 130 Ca 0.03 0.10 0.00 0.00 -0.99 0.00 0.00 60.65 59.79 2kb4 s ILE 130 Cb -0.19 -3.95 0.00 0.00 2.95 0.00 0.00 42.46 41.27 2kb4 s ILE 130 CO 0.07 -0.25 0.00 0.61 -1.79 0.00 0.00 174.94 173.58 2kb4 n GLY 131 N 4.92 1.47 0.00 6.27 0.00 -1.22 -1.22 105.19 115.41 2kb4 n GLY 131 Ca -0.06 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2kb4 n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kb4 n LYS 132 N 0.00 0.00 -3.98 1.61 3.00 -1.26 -4.69 118.16 112.83 2kb4 n LYS 132 Ca 0.00 -0.17 -0.30 0.00 -0.00 0.00 0.00 58.31 57.84 2kb4 n LYS 132 Cb 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 35.03 34.54 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2kb4 s PHE 133 N 0.00 3.37 -0.23 5.64 0.08 -0.36 -4.99 117.98 121.48 2kb4 s PHE 133 Ca 0.00 0.16 -0.08 0.00 0.12 0.00 0.00 56.93 57.13 2kb4 s PHE 133 Cb 0.00 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 2kb4 s PHE 133 CO 0.00 0.56 0.08 1.03 -0.10 0.00 0.00 175.22 176.79 2kb4 s ARG 134 N -2.51 3.79 -0.04 0.44 3.00 0.08 -0.74 118.95 122.97 2kb4 s ARG 134 Ca 0.32 -0.42 0.06 0.00 0.00 0.00 0.00 55.73 55.69 2kb4 s ARG 134 Cb -0.12 -3.34 -0.02 0.00 0.00 0.00 0.00 34.95 31.47 2kb4 s ARG 134 CO 0.25 -0.05 -0.21 -1.17 0.00 0.00 0.00 175.30 174.12 2kb4 s LEU 135 N 1.27 2.31 -0.05 2.53 2.96 0.03 -1.00 118.68 126.73 2kb4 s LEU 135 Ca 0.05 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2kb4 s LEU 135 Cb -0.15 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 2kb4 s LEU 135 CO 0.04 0.30 -0.16 0.54 -1.32 0.00 0.00 176.35 175.75 2kb4 s VAL 136 N -0.50 2.90 -0.18 1.68 0.11 0.74 -0.01 120.40 125.14 2kb4 s VAL 136 Ca 0.06 -0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2kb4 s VAL 136 Cb -0.11 -2.13 -0.00 0.00 -1.53 0.00 0.00 36.38 32.61 2kb4 s VAL 136 CO 0.01 0.58 -0.11 0.12 -3.33 0.00 0.00 175.10 172.37 2kb4 s PHE 137 N -0.58 2.86 0.08 1.54 5.36 -0.65 -0.23 117.98 126.37 2kb4 s PHE 137 Ca 0.08 -1.00 0.07 0.00 -0.96 0.00 0.00 56.93 55.13 2kb4 s PHE 137 Cb -0.11 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 2kb4 s PHE 137 CO 0.01 -0.49 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.62 2kb4 s LEU 138 N 1.05 2.84 -0.71 6.12 2.01 0.63 0.68 118.68 131.30 2kb4 s LEU 138 Ca -0.00 -0.43 -0.24 0.00 0.01 0.00 0.00 54.13 53.47 2kb4 s LEU 138 Cb -0.15 -1.66 0.06 0.00 0.01 0.00 0.00 46.19 44.45 2kb4 s LEU 138 CO -0.02 0.21 1.09 0.00 1.01 0.00 0.00 176.35 178.64 2kb4 s ALA 139 N -1.10 2.99 -0.40 4.21 0.00 -1.26 -2.59 121.76 123.60 2kb4 s ALA 139 Ca 0.18 -1.73 0.05 0.00 0.00 0.00 0.00 51.96 50.46 2kb4 s ALA 139 Cb -0.11 -4.02 0.19 0.00 0.00 0.00 0.00 23.12 19.18 2kb4 s ALA 139 CO 0.10 -2.98 0.39 0.41 0.00 0.00 0.00 175.76 173.68 2kb4 n GLY 140 N 5.40 2.32 3.61 0.00 0.00 -1.26 -5.00 105.19 110.26 2kb4 n GLY 140 Ca 0.01 -1.37 -0.44 0.00 0.00 0.00 0.00 46.02 44.22 2kb4 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kb4 n PRO 141 N 2.44 2.19 -3.50 1.61 -0.04 -1.24 -4.31 135.00 132.16 2kb4 n PRO 141 Ca 0.27 0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 64.00 2kb4 n PRO 141 Cb 0.49 -3.10 -0.09 0.00 -0.04 0.00 0.00 33.50 30.77 2kb4 n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 s ALA 142 N 6.91 3.43 -1.77 0.55 0.00 0.10 -4.88 121.76 126.10 2kb4 s ALA 142 Ca 0.98 -2.17 0.14 0.00 0.00 0.00 0.00 51.96 50.91 2kb4 s ALA 142 Cb -0.42 -2.87 0.11 0.00 0.00 0.00 0.00 23.12 19.95 2kb4 s ALA 142 CO 0.39 -1.71 0.95 0.39 0.00 0.00 0.00 175.76 175.78